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/i01-ut01-f599db84/inputs/seq.fa first_line: R R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/i01-ut01-f599db84/inputs/seq.fa: 2
curr_seq: _GCGGGGCCAAAAGCCACGUCCACUGGACCCGUCGU_
curr_seq: _UCCCUCAGAGAUCACGAUUGGCAGACUUUGAGGCGCGCGACGCCGCUGGAGUGAAAAGCUCGAAAGAGCUUUUCCCGCUUCCUAAUUC_
chainIds_rna: _AB_, chainIds_protein: __
chainId: A, chainSeq: GCGGGGCCAAAAGCCACGUCCACUGGACCCGUCGU
chainId: B, chainSeq: UCCCUCAGAGAUCACGAUUGGCAGACUUUGAGGCGCGCGACGCCGCUGGAGUGAAAAGCUCGAAAGAGCUUUUCCCGCUUCCUAAUUC
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 35 nucleotides
chain B contains 88 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: 625
n_atoms_counter: 625
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
void RNAStructure::setLimitingSphereRadius(double limitingSphereRadius):
limiting sphere radius value: 123.000000 was provided by the user
EntireStructure::rnaStruct limitingSphereRadius : 123.000000 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/i01-ut01-f599db84/inputs/seq.fa first_line: R R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/i01-ut01-f599db84/inputs/seq.fa: 2
curr_seq: _GCGGGGCCAAAAGCCACGUCCACUGGACCCGUCGU_
curr_seq: _UCCCUCAGAGAUCACGAUUGGCAGACUUUGAGGCGCGCGACGCCGCUGGAGUGAAAAGCUCGAAAGAGCUUUUCCCGCUUCCUAAUUC_
chainIds_rna: _AB_, chainIds_protein: __
chainId: A, chainSeq: GCGGGGCCAAAAGCCACGUCCACUGGACCCGUCGU
chainId: B, chainSeq: UCCCUCAGAGAUCACGAUUGGCAGACUUUGAGGCGCGCGACGCCGCUGGAGUGAAAAGCUCGAAAGAGCUUUUCCCGCUUCCUAAUUC
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 35 nucleotides
chain B contains 88 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: 625
n_atoms_counter: 625
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
void RNAStructure::setLimitingSphereRadius(double limitingSphereRadius):
limiting sphere radius value: 123.000000 was provided by the user
EntireStructure::rnaStruct limitingSphereRadius : 123.000000 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/i01-ut01-f599db84/inputs/seq.fa first_line: R R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/i01-ut01-f599db84/inputs/seq.fa: 2
curr_seq: _GCGGGGCCAAAAGCCACGUCCACUGGACCCGUCGU_
curr_seq: _UCCCUCAGAGAUCACGAUUGGCAGACUUUGAGGCGCGCGACGCCGCUGGAGUGAAAAGCUCGAAAGAGCUUUUCCCGCUUCCUAAUUC_
chainIds_rna: _AB_, chainIds_protein: __
chainId: A, chainSeq: GCGGGGCCAAAAGCCACGUCCACUGGACCCGUCGU
chainId: B, chainSeq: UCCCUCAGAGAUCACGAUUGGCAGACUUUGAGGCGCGCGACGCCGCUGGAGUGAAAAGCUCGAAAGAGCUUUUCCCGCUUCCUAAUUC
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 35 nucleotides
chain B contains 88 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: 625
n_atoms_counter: 625
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
void RNAStructure::setLimitingSphereRadius(double limitingSphereRadius):
limiting sphere radius value: 123.000000 was provided by the user
EntireStructure::rnaStruct limitingSphereRadius : 123.000000 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/i01-ut01-f599db84/inputs/seq.fa first_line: R R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/i01-ut01-f599db84/inputs/seq.fa: 2
curr_seq: _GCGGGGCCAAAAGCCACGUCCACUGGACCCGUCGU_
curr_seq: _UCCCUCAGAGAUCACGAUUGGCAGACUUUGAGGCGCGCGACGCCGCUGGAGUGAAAAGCUCGAAAGAGCUUUUCCCGCUUCCUAAUUC_
chainIds_rna: _AB_, chainIds_protein: __
chainId: A, chainSeq: GCGGGGCCAAAAGCCACGUCCACUGGACCCGUCGU
chainId: B, chainSeq: UCCCUCAGAGAUCACGAUUGGCAGACUUUGAGGCGCGCGACGCCGCUGGAGUGAAAAGCUCGAAAGAGCUUUUCCCGCUUCCUAAUUC
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 35 nucleotides
chain B contains 88 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: 625
n_atoms_counter: 625
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
void RNAStructure::setLimitingSphereRadius(double limitingSphereRadius):
limiting sphere radius value: 123.000000 was provided by the user
EntireStructure::rnaStruct limitingSphereRadius : 123.000000 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/i01-ut01-f599db84/inputs/seq.fa first_line: R R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/i01-ut01-f599db84/inputs/seq.fa: 2
curr_seq: _GCGGGGCCAAAAGCCACGUCCACUGGACCCGUCGU_
curr_seq: _UCCCUCAGAGAUCACGAUUGGCAGACUUUGAGGCGCGCGACGCCGCUGGAGUGAAAAGCUCGAAAGAGCUUUUCCCGCUUCCUAAUUC_
chainIds_rna: _AB_, chainIds_protein: __
chainId: A, chainSeq: GCGGGGCCAAAAGCCACGUCCACUGGACCCGUCGU
chainId: B, chainSeq: UCCCUCAGAGAUCACGAUUGGCAGACUUUGAGGCGCGCGACGCCGCUGGAGUGAAAAGCUCGAAAGAGCUUUUCCCGCUUCCUAAUUC
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 35 nucleotides
chain B contains 88 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: 625
n_atoms_counter: 625
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
void RNAStructure::setLimitingSphereRadius(double limitingSphereRadius):
limiting sphere radius value: 123.000000 was provided by the user
EntireStructure::rnaStruct limitingSphereRadius : 123.000000 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/i01-ut01-f599db84/inputs/seq.fa first_line: R R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/i01-ut01-f599db84/inputs/seq.fa: 2
curr_seq: _GCGGGGCCAAAAGCCACGUCCACUGGACCCGUCGU_
curr_seq: _UCCCUCAGAGAUCACGAUUGGCAGACUUUGAGGCGCGCGACGCCGCUGGAGUGAAAAGCUCGAAAGAGCUUUUCCCGCUUCCUAAUUC_
chainIds_rna: _AB_, chainIds_protein: __
chainId: A, chainSeq: GCGGGGCCAAAAGCCACGUCCACUGGACCCGUCGU
chainId: B, chainSeq: UCCCUCAGAGAUCACGAUUGGCAGACUUUGAGGCGCGCGACGCCGCUGGAGUGAAAAGCUCGAAAGAGCUUUUCCCGCUUCCUAAUUC
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 35 nucleotides
chain B contains 88 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: 625
n_atoms_counter: 625
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
void RNAStructure::setLimitingSphereRadius(double limitingSphereRadius):
limiting sphere radius value: 123.000000 was provided by the user
EntireStructure::rnaStruct limitingSphereRadius : 123.000000 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/i01-ut01-f599db84/inputs/seq.fa first_line: R R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/i01-ut01-f599db84/inputs/seq.fa: 2
curr_seq: _GCGGGGCCAAAAGCCACGUCCACUGGACCCGUCGU_
curr_seq: _UCCCUCAGAGAUCACGAUUGGCAGACUUUGAGGCGCGCGACGCCGCUGGAGUGAAAAGCUCGAAAGAGCUUUUCCCGCUUCCUAAUUC_
chainIds_rna: _AB_, chainIds_protein: __
chainId: A, chainSeq: GCGGGGCCAAAAGCCACGUCCACUGGACCCGUCGU
chainId: B, chainSeq: UCCCUCAGAGAUCACGAUUGGCAGACUUUGAGGCGCGCGACGCCGCUGGAGUGAAAAGCUCGAAAGAGCUUUUCCCGCUUCCUAAUUC
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 35 nucleotides
chain B contains 88 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: 625
n_atoms_counter: 625
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
void RNAStructure::setLimitingSphereRadius(double limitingSphereRadius):
limiting sphere radius value: 123.000000 was provided by the user
EntireStructure::rnaStruct limitingSphereRadius : 123.000000 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/i01-ut01-f599db84/inputs/seq.fa first_line: R R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/i01-ut01-f599db84/inputs/seq.fa: 2
curr_seq: _GCGGGGCCAAAAGCCACGUCCACUGGACCCGUCGU_
curr_seq: _UCCCUCAGAGAUCACGAUUGGCAGACUUUGAGGCGCGCGACGCCGCUGGAGUGAAAAGCUCGAAAGAGCUUUUCCCGCUUCCUAAUUC_
chainIds_rna: _AB_, chainIds_protein: __
chainId: A, chainSeq: GCGGGGCCAAAAGCCACGUCCACUGGACCCGUCGU
chainId: B, chainSeq: UCCCUCAGAGAUCACGAUUGGCAGACUUUGAGGCGCGCGACGCCGCUGGAGUGAAAAGCUCGAAAGAGCUUUUCCCGCUUCCUAAUUC
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 35 nucleotides
chain B contains 88 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: 625
n_atoms_counter: 625
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
void RNAStructure::setLimitingSphereRadius(double limitingSphereRadius):
limiting sphere radius value: 123.000000 was provided by the user
EntireStructure::rnaStruct limitingSphereRadius : 123.000000 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/i01-ut01-f599db84/inputs/seq.fa first_line: R R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/i01-ut01-f599db84/inputs/seq.fa: 2
curr_seq: _GCGGGGCCAAAAGCCACGUCCACUGGACCCGUCGU_
curr_seq: _UCCCUCAGAGAUCACGAUUGGCAGACUUUGAGGCGCGCGACGCCGCUGGAGUGAAAAGCUCGAAAGAGCUUUUCCCGCUUCCUAAUUC_
chainIds_rna: _AB_, chainIds_protein: __
chainId: A, chainSeq: GCGGGGCCAAAAGCCACGUCCACUGGACCCGUCGU
chainId: B, chainSeq: UCCCUCAGAGAUCACGAUUGGCAGACUUUGAGGCGCGCGACGCCGCUGGAGUGAAAAGCUCGAAAGAGCUUUUCCCGCUUCCUAAUUC
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 35 nucleotides
chain B contains 88 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: 625
n_atoms_counter: 625
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
void RNAStructure::setLimitingSphereRadius(double limitingSphereRadius):
limiting sphere radius value: 123.000000 was provided by the user
EntireStructure::rnaStruct limitingSphereRadius : 123.000000 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/i01-ut01-f599db84/inputs/seq.fa first_line: R R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/i01-ut01-f599db84/inputs/seq.fa: 2
curr_seq: _GCGGGGCCAAAAGCCACGUCCACUGGACCCGUCGU_
curr_seq: _UCCCUCAGAGAUCACGAUUGGCAGACUUUGAGGCGCGCGACGCCGCUGGAGUGAAAAGCUCGAAAGAGCUUUUCCCGCUUCCUAAUUC_
chainIds_rna: _AB_, chainIds_protein: __
chainId: A, chainSeq: GCGGGGCCAAAAGCCACGUCCACUGGACCCGUCGU
chainId: B, chainSeq: UCCCUCAGAGAUCACGAUUGGCAGACUUUGAGGCGCGCGACGCCGCUGGAGUGAAAAGCUCGAAAGAGCUUUUCCCGCUUCCUAAUUC
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 35 nucleotides
chain B contains 88 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: 625
n_atoms_counter: 625
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
void RNAStructure::setLimitingSphereRadius(double limitingSphereRadius):
limiting sphere radius value: 123.000000 was provided by the user
EntireStructure::rnaStruct limitingSphereRadius : 123.000000 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: -490.327964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.327964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.327964 (E_RNA)
where:
Base-Base interactions energy: -10.966
where: short stacking energy: -10.966
Base-Backbone interact. energy: -0.000
local terms energy: -479.361700
where:
bonds (distance) C4'-P energy: -119.504
bonds (distance) P-C4' energy: -111.832
flat angles C4'-P-C4' energy: -90.310
flat angles P-C4'-P energy: -103.305
tors. eta vs tors. theta energy: -54.412
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: 2
=====================================
Write number: 1
Temperature: 0.950000
Total energy: -490.327964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.327964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.327964 (E_RNA)
where:
Base-Base interactions energy: -10.966
where: short stacking energy: -10.966
Base-Backbone interact. energy: -0.000
local terms energy: -479.361700
where:
bonds (distance) C4'-P energy: -119.504
bonds (distance) P-C4' energy: -111.832
flat angles C4'-P-C4' energy: -90.310
flat angles P-C4'-P energy: -103.305
tors. eta vs tors. theta energy: -54.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 1
Temperature: 1.000000
Total energy: -490.327964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.327964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.327964 (E_RNA)
where:
Base-Base interactions energy: -10.966
where: short stacking energy: -10.966
Base-Backbone interact. energy: -0.000
local terms energy: -479.361700
where:
bonds (distance) C4'-P energy: -119.504
bonds (distance) P-C4' energy: -111.832
flat angles C4'-P-C4' energy: -90.310
flat angles P-C4'-P energy: -103.305
tors. eta vs tors. theta energy: -54.412
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: 4
=====================================
Write number: 1
Temperature: 1.050000
Total energy: -490.327964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.327964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.327964 (E_RNA)
where:
Base-Base interactions energy: -10.966
where: short stacking energy: -10.966
Base-Backbone interact. energy: -0.000
local terms energy: -479.361700
where:
bonds (distance) C4'-P energy: -119.504
bonds (distance) P-C4' energy: -111.832
flat angles C4'-P-C4' energy: -90.310
flat angles P-C4'-P energy: -103.305
tors. eta vs tors. theta energy: -54.412
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: 5, replica: 5
=====================================
Write number: 1
Temperature: 1.100000
Total energy: -490.327964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.327964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.327964 (E_RNA)
where:
Base-Base interactions energy: -10.966
where: short stacking energy: -10.966
Base-Backbone interact. energy: -0.000
local terms energy: -479.361700
where:
bonds (distance) C4'-P energy: -119.504
bonds (distance) P-C4' energy: -111.832
flat angles C4'-P-C4' energy: -90.310
flat angles P-C4'-P energy: -103.305
tors. eta vs tors. theta energy: -54.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 1
Temperature: 1.150000
Total energy: -490.327964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.327964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.327964 (E_RNA)
where:
Base-Base interactions energy: -10.966
where: short stacking energy: -10.966
Base-Backbone interact. energy: -0.000
local terms energy: -479.361700
where:
bonds (distance) C4'-P energy: -119.504
bonds (distance) P-C4' energy: -111.832
flat angles C4'-P-C4' energy: -90.310
flat angles P-C4'-P energy: -103.305
tors. eta vs tors. theta energy: -54.412
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: 7, replica: 7
=====================================
Write number: 1
Temperature: 1.200000
Total energy: -490.327964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.327964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.327964 (E_RNA)
where:
Base-Base interactions energy: -10.966
where: short stacking energy: -10.966
Base-Backbone interact. energy: -0.000
local terms energy: -479.361700
where:
bonds (distance) C4'-P energy: -119.504
bonds (distance) P-C4' energy: -111.832
flat angles C4'-P-C4' energy: -90.310
flat angles P-C4'-P energy: -103.305
tors. eta vs tors. theta energy: -54.412
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: 8, replica: 8
=====================================
Write number: 1
Temperature: 1.250000
Total energy: -490.327964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.327964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.327964 (E_RNA)
where:
Base-Base interactions energy: -10.966
where: short stacking energy: -10.966
Base-Backbone interact. energy: -0.000
local terms energy: -479.361700
where:
bonds (distance) C4'-P energy: -119.504
bonds (distance) P-C4' energy: -111.832
flat angles C4'-P-C4' energy: -90.310
flat angles P-C4'-P energy: -103.305
tors. eta vs tors. theta energy: -54.412
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: 9
=====================================
Write number: 1
Temperature: 1.300000
Total energy: -490.327964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.327964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.327964 (E_RNA)
where:
Base-Base interactions energy: -10.966
where: short stacking energy: -10.966
Base-Backbone interact. energy: -0.000
local terms energy: -479.361700
where:
bonds (distance) C4'-P energy: -119.504
bonds (distance) P-C4' energy: -111.832
flat angles C4'-P-C4' energy: -90.310
flat angles P-C4'-P energy: -103.305
tors. eta vs tors. theta energy: -54.412
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: 10
=====================================
Write number: 1
Temperature: 1.350000
Total energy: -490.327964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.327964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.327964 (E_RNA)
where:
Base-Base interactions energy: -10.966
where: short stacking energy: -10.966
Base-Backbone interact. energy: -0.000
local terms energy: -479.361700
where:
bonds (distance) C4'-P energy: -119.504
bonds (distance) P-C4' energy: -111.832
flat angles C4'-P-C4' energy: -90.310
flat angles P-C4'-P energy: -103.305
tors. eta vs tors. theta energy: -54.412
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: 1
=====================================
Write number: 2
Temperature: 0.900000
Total energy: -630.430697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -630.430697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -630.430697 (E_RNA)
where:
Base-Base interactions energy: -277.365
where: short stacking energy: -276.510
Base-Backbone interact. energy: -0.285
local terms energy: -353.178000
where:
bonds (distance) C4'-P energy: -68.920
bonds (distance) P-C4' energy: -79.284
flat angles C4'-P-C4' energy: -80.561
flat angles P-C4'-P energy: -63.449
tors. eta vs tors. theta energy: -60.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.397 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 2
Temperature: 0.950000
Total energy: -615.358498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -615.358498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -615.358498 (E_RNA)
where:
Base-Base interactions energy: -256.636
where: short stacking energy: -247.725
Base-Backbone interact. energy: -0.230
local terms energy: -358.492811
where:
bonds (distance) C4'-P energy: -70.715
bonds (distance) P-C4' energy: -82.733
flat angles C4'-P-C4' energy: -82.778
flat angles P-C4'-P energy: -58.434
tors. eta vs tors. theta energy: -63.833
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: 2
Temperature: 1.000000
Total energy: -562.695040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -562.695040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -562.695040 (E_RNA)
where:
Base-Base interactions energy: -251.777
where: short stacking energy: -238.084
Base-Backbone interact. energy: -0.054
local terms energy: -310.864115
where:
bonds (distance) C4'-P energy: -66.336
bonds (distance) P-C4' energy: -74.521
flat angles C4'-P-C4' energy: -77.840
flat angles P-C4'-P energy: -39.708
tors. eta vs tors. theta energy: -52.460
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: 4
=====================================
Write number: 2
Temperature: 1.050000
Total energy: -508.937660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.937660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.937660 (E_RNA)
where:
Base-Base interactions energy: -220.631
where: short stacking energy: -212.799
Base-Backbone interact. energy: -0.125
local terms energy: -289.180752
where:
bonds (distance) C4'-P energy: -64.242
bonds (distance) P-C4' energy: -69.372
flat angles C4'-P-C4' energy: -78.668
flat angles P-C4'-P energy: -32.125
tors. eta vs tors. theta energy: -44.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.998 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 2
Temperature: 1.100000
Total energy: -491.674982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.674982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.674982 (E_RNA)
where:
Base-Base interactions energy: -16.899
where: short stacking energy: -16.899
Base-Backbone interact. energy: -0.000
local terms energy: -474.776234
where:
bonds (distance) C4'-P energy: -118.569
bonds (distance) P-C4' energy: -108.486
flat angles C4'-P-C4' energy: -89.837
flat angles P-C4'-P energy: -102.524
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: 6, replica: 6
=====================================
Write number: 2
Temperature: 1.150000
Total energy: -498.892195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.892195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.892195 (E_RNA)
where:
Base-Base interactions energy: -103.099
where: short stacking energy: -103.099
Base-Backbone interact. energy: -0.000
local terms energy: -395.793251
where:
bonds (distance) C4'-P energy: -86.537
bonds (distance) P-C4' energy: -81.413
flat angles C4'-P-C4' energy: -86.024
flat angles P-C4'-P energy: -86.385
tors. eta vs tors. theta energy: -55.434
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: 7
=====================================
Write number: 2
Temperature: 1.200000
Total energy: -497.661261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.661261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.661261 (E_RNA)
where:
Base-Base interactions energy: -73.122
where: short stacking energy: -73.122
Base-Backbone interact. energy: -0.000
local terms energy: -424.538882
where:
bonds (distance) C4'-P energy: -93.642
bonds (distance) P-C4' energy: -90.915
flat angles C4'-P-C4' energy: -88.355
flat angles P-C4'-P energy: -95.135
tors. eta vs tors. theta energy: -56.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 2
Temperature: 1.250000
Total energy: -493.797578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.797578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.797578 (E_RNA)
where:
Base-Base interactions energy: -24.271
where: short stacking energy: -24.271
Base-Backbone interact. energy: -0.000
local terms energy: -469.526198
where:
bonds (distance) C4'-P energy: -115.750
bonds (distance) P-C4' energy: -107.457
flat angles C4'-P-C4' energy: -90.100
flat angles P-C4'-P energy: -101.943
tors. eta vs tors. theta energy: -54.275
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: 9, replica: 9
=====================================
Write number: 2
Temperature: 1.300000
Total energy: -491.894518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.894518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.894518 (E_RNA)
where:
Base-Base interactions energy: -18.539
where: short stacking energy: -18.539
Base-Backbone interact. energy: -0.000
local terms energy: -473.355136
where:
bonds (distance) C4'-P energy: -118.345
bonds (distance) P-C4' energy: -108.486
flat angles C4'-P-C4' energy: -89.496
flat angles P-C4'-P energy: -102.163
tors. eta vs tors. theta energy: -54.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 2
Temperature: 1.350000
Total energy: -497.180947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.180947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.180947 (E_RNA)
where:
Base-Base interactions energy: -75.511
where: short stacking energy: -75.511
Base-Backbone interact. energy: -0.000
local terms energy: -421.670093
where:
bonds (distance) C4'-P energy: -94.810
bonds (distance) P-C4' energy: -88.798
flat angles C4'-P-C4' energy: -92.428
flat angles P-C4'-P energy: -92.360
tors. eta vs tors. theta energy: -53.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 3
Temperature: 0.900000
Total energy: -708.216110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -708.216110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -708.216110 (E_RNA)
where:
Base-Base interactions energy: -349.806
where: short stacking energy: -274.666
Base-Backbone interact. energy: -1.158
local terms energy: -357.252260
where:
bonds (distance) C4'-P energy: -73.148
bonds (distance) P-C4' energy: -88.635
flat angles C4'-P-C4' energy: -77.440
flat angles P-C4'-P energy: -45.695
tors. eta vs tors. theta energy: -72.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 3
Temperature: 0.950000
Total energy: -652.866881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -652.866881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -652.866881 (E_RNA)
where:
Base-Base interactions energy: -299.917
where: short stacking energy: -277.513
Base-Backbone interact. energy: -0.422
local terms energy: -352.528267
where:
bonds (distance) C4'-P energy: -74.551
bonds (distance) P-C4' energy: -81.861
flat angles C4'-P-C4' energy: -92.075
flat angles P-C4'-P energy: -42.215
tors. eta vs tors. theta energy: -61.826
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: 3
=====================================
Write number: 3
Temperature: 1.000000
Total energy: -599.155457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -599.155457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -599.155457 (E_RNA)
where:
Base-Base interactions energy: -261.371
where: short stacking energy: -235.784
Base-Backbone interact. energy: 0.656
local terms energy: -338.440254
where:
bonds (distance) C4'-P energy: -76.438
bonds (distance) P-C4' energy: -82.746
flat angles C4'-P-C4' energy: -75.036
flat angles P-C4'-P energy: -43.280
tors. eta vs tors. theta energy: -60.940
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: 4, replica: 4
=====================================
Write number: 3
Temperature: 1.050000
Total energy: -534.182708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.182708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.182708 (E_RNA)
where:
Base-Base interactions energy: -243.785
where: short stacking energy: -198.930
Base-Backbone interact. energy: 0.585
local terms energy: -290.982989
where:
bonds (distance) C4'-P energy: -60.894
bonds (distance) P-C4' energy: -82.029
flat angles C4'-P-C4' energy: -66.607
flat angles P-C4'-P energy: -44.262
tors. eta vs tors. theta energy: -37.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 3
Temperature: 1.100000
Total energy: -481.609505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.609505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.609505 (E_RNA)
where:
Base-Base interactions energy: -205.550
where: short stacking energy: -172.123
Base-Backbone interact. energy: -0.017
local terms energy: -277.412080
where:
bonds (distance) C4'-P energy: -76.790
bonds (distance) P-C4' energy: -54.907
flat angles C4'-P-C4' energy: -80.280
flat angles P-C4'-P energy: -46.077
tors. eta vs tors. theta energy: -19.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.370 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 3
Temperature: 1.150000
Total energy: -431.315006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.315006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.315006 (E_RNA)
where:
Base-Base interactions energy: -163.623
where: short stacking energy: -141.632
Base-Backbone interact. energy: 1.660
local terms energy: -269.351471
where:
bonds (distance) C4'-P energy: -69.589
bonds (distance) P-C4' energy: -64.199
flat angles C4'-P-C4' energy: -64.287
flat angles P-C4'-P energy: -50.181
tors. eta vs tors. theta energy: -21.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 3
Temperature: 1.200000
Total energy: -417.893863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.893863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.893863 (E_RNA)
where:
Base-Base interactions energy: -170.746
where: short stacking energy: -150.285
Base-Backbone interact. energy: 1.139
local terms energy: -248.286599
where:
bonds (distance) C4'-P energy: -66.489
bonds (distance) P-C4' energy: -64.035
flat angles C4'-P-C4' energy: -66.267
flat angles P-C4'-P energy: -38.300
tors. eta vs tors. theta energy: -13.195
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: 3
Temperature: 1.250000
Total energy: -375.807797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.807797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.807797 (E_RNA)
where:
Base-Base interactions energy: -147.991
where: short stacking energy: -117.197
Base-Backbone interact. energy: 1.185
local terms energy: -229.001672
where:
bonds (distance) C4'-P energy: -60.611
bonds (distance) P-C4' energy: -60.422
flat angles C4'-P-C4' energy: -64.569
flat angles P-C4'-P energy: -31.117
tors. eta vs tors. theta energy: -12.283
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: 9, replica: 8
=====================================
Write number: 3
Temperature: 1.300000
Total energy: -344.308191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.308191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.308191 (E_RNA)
where:
Base-Base interactions energy: -138.430
where: short stacking energy: -110.256
Base-Backbone interact. energy: 2.292
local terms energy: -208.170850
where:
bonds (distance) C4'-P energy: -72.056
bonds (distance) P-C4' energy: -61.382
flat angles C4'-P-C4' energy: -62.057
flat angles P-C4'-P energy: -30.467
tors. eta vs tors. theta energy: 17.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 3
Temperature: 1.350000
Total energy: -323.982762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.982762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.982762 (E_RNA)
where:
Base-Base interactions energy: -126.779
where: short stacking energy: -119.913
Base-Backbone interact. energy: 2.316
local terms energy: -199.520111
where:
bonds (distance) C4'-P energy: -57.085
bonds (distance) P-C4' energy: -55.331
flat angles C4'-P-C4' energy: -48.226
flat angles P-C4'-P energy: -27.220
tors. eta vs tors. theta energy: -11.658
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: 1
=====================================
Write number: 4
Temperature: 0.900000
Total energy: -708.306463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -708.306463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -708.306463 (E_RNA)
where:
Base-Base interactions energy: -369.375
where: short stacking energy: -285.044
Base-Backbone interact. energy: 0.404
local terms energy: -339.335458
where:
bonds (distance) C4'-P energy: -64.201
bonds (distance) P-C4' energy: -74.811
flat angles C4'-P-C4' energy: -84.725
flat angles P-C4'-P energy: -50.252
tors. eta vs tors. theta energy: -65.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 4
Temperature: 0.950000
Total energy: -679.336497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -679.336497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -679.336497 (E_RNA)
where:
Base-Base interactions energy: -345.053
where: short stacking energy: -271.645
Base-Backbone interact. energy: 2.227
local terms energy: -336.510607
where:
bonds (distance) C4'-P energy: -77.402
bonds (distance) P-C4' energy: -70.928
flat angles C4'-P-C4' energy: -79.629
flat angles P-C4'-P energy: -35.704
tors. eta vs tors. theta energy: -72.848
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: 3
=====================================
Write number: 4
Temperature: 1.000000
Total energy: -618.245581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -618.245581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -618.245581 (E_RNA)
where:
Base-Base interactions energy: -314.130
where: short stacking energy: -217.937
Base-Backbone interact. energy: -3.234
local terms energy: -300.882198
where:
bonds (distance) C4'-P energy: -77.359
bonds (distance) P-C4' energy: -77.238
flat angles C4'-P-C4' energy: -72.007
flat angles P-C4'-P energy: -37.945
tors. eta vs tors. theta energy: -36.334
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: 4
=====================================
Write number: 4
Temperature: 1.050000
Total energy: -612.683874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -612.683874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -612.683874 (E_RNA)
where:
Base-Base interactions energy: -304.163
where: short stacking energy: -229.590
Base-Backbone interact. energy: -0.478
local terms energy: -308.042248
where:
bonds (distance) C4'-P energy: -63.443
bonds (distance) P-C4' energy: -76.776
flat angles C4'-P-C4' energy: -69.444
flat angles P-C4'-P energy: -50.630
tors. eta vs tors. theta energy: -47.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 4
Temperature: 1.100000
Total energy: -517.315617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.315617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.315617 (E_RNA)
where:
Base-Base interactions energy: -237.381
where: short stacking energy: -173.410
Base-Backbone interact. energy: 0.665
local terms energy: -280.599820
where:
bonds (distance) C4'-P energy: -75.911
bonds (distance) P-C4' energy: -74.413
flat angles C4'-P-C4' energy: -68.008
flat angles P-C4'-P energy: -39.907
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: 6, replica: 7
=====================================
Write number: 4
Temperature: 1.150000
Total energy: -463.245438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.245438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.245438 (E_RNA)
where:
Base-Base interactions energy: -206.733
where: short stacking energy: -145.657
Base-Backbone interact. energy: 0.485
local terms energy: -256.997352
where:
bonds (distance) C4'-P energy: -74.515
bonds (distance) P-C4' energy: -63.661
flat angles C4'-P-C4' energy: -61.763
flat angles P-C4'-P energy: -39.048
tors. eta vs tors. theta energy: -18.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 4
Temperature: 1.200000
Total energy: -467.210738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.210738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.210738 (E_RNA)
where:
Base-Base interactions energy: -219.348
where: short stacking energy: -149.472
Base-Backbone interact. energy: 0.075
local terms energy: -247.937217
where:
bonds (distance) C4'-P energy: -54.255
bonds (distance) P-C4' energy: -74.169
flat angles C4'-P-C4' energy: -73.924
flat angles P-C4'-P energy: -35.083
tors. eta vs tors. theta energy: -10.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 4
Temperature: 1.250000
Total energy: -390.106567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.106567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.106567 (E_RNA)
where:
Base-Base interactions energy: -149.518
where: short stacking energy: -122.482
Base-Backbone interact. energy: -2.175
local terms energy: -238.413133
where:
bonds (distance) C4'-P energy: -66.720
bonds (distance) P-C4' energy: -71.051
flat angles C4'-P-C4' energy: -61.520
flat angles P-C4'-P energy: -36.349
tors. eta vs tors. theta energy: -2.773
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: 9, replica: 10
=====================================
Write number: 4
Temperature: 1.300000
Total energy: -394.670912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.670912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -394.670912 (E_RNA)
where:
Base-Base interactions energy: -179.071
where: short stacking energy: -132.150
Base-Backbone interact. energy: 3.094
local terms energy: -218.693767
where:
bonds (distance) C4'-P energy: -69.632
bonds (distance) P-C4' energy: -59.658
flat angles C4'-P-C4' energy: -53.719
flat angles P-C4'-P energy: -26.790
tors. eta vs tors. theta energy: -8.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 4
Temperature: 1.350000
Total energy: -311.670220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.670220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.670220 (E_RNA)
where:
Base-Base interactions energy: -90.015
where: short stacking energy: -75.609
Base-Backbone interact. energy: -0.573
local terms energy: -221.082662
where:
bonds (distance) C4'-P energy: -59.917
bonds (distance) P-C4' energy: -67.626
flat angles C4'-P-C4' energy: -68.178
flat angles P-C4'-P energy: -43.063
tors. eta vs tors. theta energy: 17.701
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: 1
=====================================
Write number: 5
Temperature: 0.900000
Total energy: -734.473122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -734.473122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -734.473122 (E_RNA)
where:
Base-Base interactions energy: -363.457
where: short stacking energy: -281.426
Base-Backbone interact. energy: -0.419
local terms energy: -370.893824
where:
bonds (distance) C4'-P energy: -74.748
bonds (distance) P-C4' energy: -87.769
flat angles C4'-P-C4' energy: -84.659
flat angles P-C4'-P energy: -45.345
tors. eta vs tors. theta energy: -78.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.297 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 5
Temperature: 0.950000
Total energy: -728.888645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -728.888645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -728.888645 (E_RNA)
where:
Base-Base interactions energy: -375.605
where: short stacking energy: -283.903
Base-Backbone interact. energy: 0.895
local terms energy: -354.178898
where:
bonds (distance) C4'-P energy: -79.442
bonds (distance) P-C4' energy: -76.028
flat angles C4'-P-C4' energy: -77.403
flat angles P-C4'-P energy: -54.095
tors. eta vs tors. theta energy: -67.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 5
Temperature: 1.000000
Total energy: -682.194354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -682.194354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -682.194354 (E_RNA)
where:
Base-Base interactions energy: -375.998
where: short stacking energy: -220.738
Base-Backbone interact. energy: -0.456
local terms energy: -305.739751
where:
bonds (distance) C4'-P energy: -73.101
bonds (distance) P-C4' energy: -84.224
flat angles C4'-P-C4' energy: -65.095
flat angles P-C4'-P energy: -47.295
tors. eta vs tors. theta energy: -36.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 5
Temperature: 1.050000
Total energy: -631.760809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -631.760809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -631.760809 (E_RNA)
where:
Base-Base interactions energy: -326.286
where: short stacking energy: -238.441
Base-Backbone interact. energy: -1.061
local terms energy: -304.413162
where:
bonds (distance) C4'-P energy: -73.236
bonds (distance) P-C4' energy: -70.071
flat angles C4'-P-C4' energy: -76.591
flat angles P-C4'-P energy: -32.497
tors. eta vs tors. theta energy: -52.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 5
Temperature: 1.100000
Total energy: -512.430897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.430897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.430897 (E_RNA)
where:
Base-Base interactions energy: -225.595
where: short stacking energy: -190.288
Base-Backbone interact. energy: -2.537
local terms energy: -284.298639
where:
bonds (distance) C4'-P energy: -72.676
bonds (distance) P-C4' energy: -82.757
flat angles C4'-P-C4' energy: -67.170
flat angles P-C4'-P energy: -46.165
tors. eta vs tors. theta energy: -15.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 5
Temperature: 1.150000
Total energy: -485.286305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.286305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.286305 (E_RNA)
where:
Base-Base interactions energy: -215.242
where: short stacking energy: -158.131
Base-Backbone interact. energy: 0.941
local terms energy: -270.985696
where:
bonds (distance) C4'-P energy: -72.257
bonds (distance) P-C4' energy: -72.426
flat angles C4'-P-C4' energy: -64.824
flat angles P-C4'-P energy: -44.854
tors. eta vs tors. theta energy: -16.624
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: 7
=====================================
Write number: 5
Temperature: 1.200000
Total energy: -405.861905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.861905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.861905 (E_RNA)
where:
Base-Base interactions energy: -151.703
where: short stacking energy: -128.976
Base-Backbone interact. energy: 4.046
local terms energy: -258.204657
where:
bonds (distance) C4'-P energy: -69.372
bonds (distance) P-C4' energy: -75.616
flat angles C4'-P-C4' energy: -79.122
flat angles P-C4'-P energy: -33.212
tors. eta vs tors. theta energy: -0.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 5
Temperature: 1.250000
Total energy: -436.598823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.598823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.598823 (E_RNA)
where:
Base-Base interactions energy: -202.685
where: short stacking energy: -133.933
Base-Backbone interact. energy: -1.974
local terms energy: -231.939866
where:
bonds (distance) C4'-P energy: -60.289
bonds (distance) P-C4' energy: -61.359
flat angles C4'-P-C4' energy: -66.371
flat angles P-C4'-P energy: -41.433
tors. eta vs tors. theta energy: -2.489
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: 5
Temperature: 1.300000
Total energy: -340.369894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.369894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.369894 (E_RNA)
where:
Base-Base interactions energy: -117.466
where: short stacking energy: -97.677
Base-Backbone interact. energy: 0.158
local terms energy: -223.061939
where:
bonds (distance) C4'-P energy: -53.446
bonds (distance) P-C4' energy: -77.764
flat angles C4'-P-C4' energy: -59.222
flat angles P-C4'-P energy: -39.218
tors. eta vs tors. theta energy: 6.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 5
Temperature: 1.350000
Total energy: -333.336412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.336412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.336412 (E_RNA)
where:
Base-Base interactions energy: -117.833
where: short stacking energy: -83.915
Base-Backbone interact. energy: 3.000
local terms energy: -218.503086
where:
bonds (distance) C4'-P energy: -59.380
bonds (distance) P-C4' energy: -65.063
flat angles C4'-P-C4' energy: -61.800
flat angles P-C4'-P energy: -46.464
tors. eta vs tors. theta energy: 14.205
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: 2
=====================================
Write number: 6
Temperature: 0.900000
Total energy: -766.644788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -766.644788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -766.644788 (E_RNA)
where:
Base-Base interactions energy: -397.815
where: short stacking energy: -283.465
Base-Backbone interact. energy: -0.931
local terms energy: -367.898722
where:
bonds (distance) C4'-P energy: -81.124
bonds (distance) P-C4' energy: -87.064
flat angles C4'-P-C4' energy: -79.672
flat angles P-C4'-P energy: -44.819
tors. eta vs tors. theta energy: -75.220
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: 1
=====================================
Write number: 6
Temperature: 0.950000
Total energy: -711.115388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -711.115388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -711.115388 (E_RNA)
where:
Base-Base interactions energy: -346.354
where: short stacking energy: -265.970
Base-Backbone interact. energy: -0.991
local terms energy: -363.770841
where:
bonds (distance) C4'-P energy: -75.857
bonds (distance) P-C4' energy: -77.179
flat angles C4'-P-C4' energy: -82.999
flat angles P-C4'-P energy: -55.408
tors. eta vs tors. theta energy: -72.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 6
Temperature: 1.000000
Total energy: -773.967509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -773.967509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -773.967509 (E_RNA)
where:
Base-Base interactions energy: -415.249
where: short stacking energy: -267.645
Base-Backbone interact. energy: -0.232
local terms energy: -358.486220
where:
bonds (distance) C4'-P energy: -72.695
bonds (distance) P-C4' energy: -80.575
flat angles C4'-P-C4' energy: -87.366
flat angles P-C4'-P energy: -48.617
tors. eta vs tors. theta energy: -69.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 6
Temperature: 1.050000
Total energy: -738.567247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -738.567247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -738.567247 (E_RNA)
where:
Base-Base interactions energy: -409.239
where: short stacking energy: -267.607
Base-Backbone interact. energy: -1.300
local terms energy: -328.027827
where:
bonds (distance) C4'-P energy: -69.697
bonds (distance) P-C4' energy: -74.051
flat angles C4'-P-C4' energy: -72.158
flat angles P-C4'-P energy: -47.125
tors. eta vs tors. theta energy: -64.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 6
Temperature: 1.100000
Total energy: -558.300387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.300387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.300387 (E_RNA)
where:
Base-Base interactions energy: -290.131
where: short stacking energy: -191.566
Base-Backbone interact. energy: -0.926
local terms energy: -267.243882
where:
bonds (distance) C4'-P energy: -70.599
bonds (distance) P-C4' energy: -69.944
flat angles C4'-P-C4' energy: -61.110
flat angles P-C4'-P energy: -36.089
tors. eta vs tors. theta energy: -29.503
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: 6, replica: 6
=====================================
Write number: 6
Temperature: 1.150000
Total energy: -479.308808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.308808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.308808 (E_RNA)
where:
Base-Base interactions energy: -243.601
where: short stacking energy: -164.302
Base-Backbone interact. energy: 1.614
local terms energy: -237.321736
where:
bonds (distance) C4'-P energy: -67.841
bonds (distance) P-C4' energy: -78.597
flat angles C4'-P-C4' energy: -65.085
flat angles P-C4'-P energy: -24.286
tors. eta vs tors. theta energy: -1.513
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: 10
=====================================
Write number: 6
Temperature: 1.200000
Total energy: -540.962290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.962290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.962290 (E_RNA)
where:
Base-Base interactions energy: -287.406
where: short stacking energy: -158.802
Base-Backbone interact. energy: -0.581
local terms energy: -252.975354
where:
bonds (distance) C4'-P energy: -64.124
bonds (distance) P-C4' energy: -71.566
flat angles C4'-P-C4' energy: -54.157
flat angles P-C4'-P energy: -42.074
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: 8, replica: 7
=====================================
Write number: 6
Temperature: 1.250000
Total energy: -378.774389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -378.774389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -378.774389 (E_RNA)
where:
Base-Base interactions energy: -159.828
where: short stacking energy: -141.541
Base-Backbone interact. energy: 0.114
local terms energy: -219.060544
where:
bonds (distance) C4'-P energy: -60.512
bonds (distance) P-C4' energy: -64.029
flat angles C4'-P-C4' energy: -55.636
flat angles P-C4'-P energy: -27.187
tors. eta vs tors. theta energy: -11.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 6
Temperature: 1.300000
Total energy: -354.890154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.890154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.890154 (E_RNA)
where:
Base-Base interactions energy: -126.839
where: short stacking energy: -92.770
Base-Backbone interact. energy: -0.705
local terms energy: -227.345830
where:
bonds (distance) C4'-P energy: -65.614
bonds (distance) P-C4' energy: -85.771
flat angles C4'-P-C4' energy: -63.847
flat angles P-C4'-P energy: -26.059
tors. eta vs tors. theta energy: 13.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 6
Temperature: 1.350000
Total energy: -306.820936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.820936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.820936 (E_RNA)
where:
Base-Base interactions energy: -111.419
where: short stacking energy: -98.546
Base-Backbone interact. energy: 2.538
local terms energy: -197.940435
where:
bonds (distance) C4'-P energy: -51.941
bonds (distance) P-C4' energy: -77.407
flat angles C4'-P-C4' energy: -38.263
flat angles P-C4'-P energy: -38.585
tors. eta vs tors. theta energy: 8.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 7
Temperature: 0.900000
Total energy: -813.819467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -813.819467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -813.819467 (E_RNA)
where:
Base-Base interactions energy: -439.272
where: short stacking energy: -330.951
Base-Backbone interact. energy: -0.030
local terms energy: -374.517250
where:
bonds (distance) C4'-P energy: -65.458
bonds (distance) P-C4' energy: -79.196
flat angles C4'-P-C4' energy: -84.013
flat angles P-C4'-P energy: -57.410
tors. eta vs tors. theta energy: -88.441
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: 2, replica: 1
=====================================
Write number: 7
Temperature: 0.950000
Total energy: -732.451149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -732.451149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -732.451149 (E_RNA)
where:
Base-Base interactions energy: -366.073
where: short stacking energy: -297.566
Base-Backbone interact. energy: -0.339
local terms energy: -366.039225
where:
bonds (distance) C4'-P energy: -77.044
bonds (distance) P-C4' energy: -74.768
flat angles C4'-P-C4' energy: -88.769
flat angles P-C4'-P energy: -51.358
tors. eta vs tors. theta energy: -74.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 7
Temperature: 1.000000
Total energy: -773.935524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -773.935524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -773.935524 (E_RNA)
where:
Base-Base interactions energy: -420.201
where: short stacking energy: -265.720
Base-Backbone interact. energy: 2.088
local terms energy: -355.822584
where:
bonds (distance) C4'-P energy: -78.138
bonds (distance) P-C4' energy: -75.281
flat angles C4'-P-C4' energy: -80.838
flat angles P-C4'-P energy: -54.681
tors. eta vs tors. theta energy: -66.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 7
Temperature: 1.050000
Total energy: -742.608698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -742.608698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -742.608698 (E_RNA)
where:
Base-Base interactions energy: -408.198
where: short stacking energy: -235.308
Base-Backbone interact. energy: -1.495
local terms energy: -332.915803
where:
bonds (distance) C4'-P energy: -74.774
bonds (distance) P-C4' energy: -78.431
flat angles C4'-P-C4' energy: -69.474
flat angles P-C4'-P energy: -51.336
tors. eta vs tors. theta energy: -58.900
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: 5
=====================================
Write number: 7
Temperature: 1.100000
Total energy: -635.517636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -635.517636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -635.517636 (E_RNA)
where:
Base-Base interactions energy: -334.209
where: short stacking energy: -201.783
Base-Backbone interact. energy: -0.559
local terms energy: -300.749079
where:
bonds (distance) C4'-P energy: -73.941
bonds (distance) P-C4' energy: -79.932
flat angles C4'-P-C4' energy: -71.023
flat angles P-C4'-P energy: -40.317
tors. eta vs tors. theta energy: -35.536
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: 6, replica: 10
=====================================
Write number: 7
Temperature: 1.150000
Total energy: -601.348461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -601.348461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -601.348461 (E_RNA)
where:
Base-Base interactions energy: -325.280
where: short stacking energy: -188.688
Base-Backbone interact. energy: -0.024
local terms energy: -276.045036
where:
bonds (distance) C4'-P energy: -67.321
bonds (distance) P-C4' energy: -69.268
flat angles C4'-P-C4' energy: -64.039
flat angles P-C4'-P energy: -51.455
tors. eta vs tors. theta energy: -23.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 7
Temperature: 1.200000
Total energy: -479.549731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.549731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.549731 (E_RNA)
where:
Base-Base interactions energy: -211.964
where: short stacking energy: -164.714
Base-Backbone interact. energy: 2.051
local terms energy: -269.636108
where:
bonds (distance) C4'-P energy: -65.692
bonds (distance) P-C4' energy: -72.220
flat angles C4'-P-C4' energy: -64.121
flat angles P-C4'-P energy: -39.873
tors. eta vs tors. theta energy: -27.730
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: 8, replica: 7
=====================================
Write number: 7
Temperature: 1.250000
Total energy: -413.963438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.963438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.963438 (E_RNA)
where:
Base-Base interactions energy: -149.075
where: short stacking energy: -141.190
Base-Backbone interact. energy: -1.257
local terms energy: -263.631221
where:
bonds (distance) C4'-P energy: -59.655
bonds (distance) P-C4' energy: -80.481
flat angles C4'-P-C4' energy: -45.177
flat angles P-C4'-P energy: -50.356
tors. eta vs tors. theta energy: -27.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 7
Temperature: 1.300000
Total energy: -373.022888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.022888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.022888 (E_RNA)
where:
Base-Base interactions energy: -166.245
where: short stacking energy: -111.856
Base-Backbone interact. energy: 0.729
local terms energy: -207.506779
where:
bonds (distance) C4'-P energy: -57.111
bonds (distance) P-C4' energy: -65.020
flat angles C4'-P-C4' energy: -56.548
flat angles P-C4'-P energy: -32.548
tors. eta vs tors. theta energy: 3.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 7
Temperature: 1.350000
Total energy: -313.619380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.619380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.619380 (E_RNA)
where:
Base-Base interactions energy: -120.085
where: short stacking energy: -100.217
Base-Backbone interact. energy: -1.319
local terms energy: -192.214834
where:
bonds (distance) C4'-P energy: -62.589
bonds (distance) P-C4' energy: -64.260
flat angles C4'-P-C4' energy: -46.768
flat angles P-C4'-P energy: -28.515
tors. eta vs tors. theta energy: 9.917
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: 8
Temperature: 0.900000
Total energy: -839.814496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -839.814496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -839.814496 (E_RNA)
where:
Base-Base interactions energy: -470.947
where: short stacking energy: -335.044
Base-Backbone interact. energy: -0.147
local terms energy: -368.720200
where:
bonds (distance) C4'-P energy: -73.935
bonds (distance) P-C4' energy: -77.405
flat angles C4'-P-C4' energy: -84.325
flat angles P-C4'-P energy: -51.289
tors. eta vs tors. theta energy: -81.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 8
Temperature: 0.950000
Total energy: -770.460264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -770.460264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -770.460264 (E_RNA)
where:
Base-Base interactions energy: -396.266
where: short stacking energy: -282.487
Base-Backbone interact. energy: -0.280
local terms energy: -373.914593
where:
bonds (distance) C4'-P energy: -79.917
bonds (distance) P-C4' energy: -79.386
flat angles C4'-P-C4' energy: -86.253
flat angles P-C4'-P energy: -57.203
tors. eta vs tors. theta energy: -71.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 8
Temperature: 1.000000
Total energy: -877.335303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -877.335303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -877.335303 (E_RNA)
where:
Base-Base interactions energy: -521.464
where: short stacking energy: -264.890
Base-Backbone interact. energy: -1.300
local terms energy: -354.571831
where:
bonds (distance) C4'-P energy: -81.574
bonds (distance) P-C4' energy: -76.039
flat angles C4'-P-C4' energy: -75.321
flat angles P-C4'-P energy: -55.580
tors. eta vs tors. theta energy: -66.059
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 8
Temperature: 1.050000
Total energy: -706.820948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -706.820948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -706.820948 (E_RNA)
where:
Base-Base interactions energy: -395.803
where: short stacking energy: -202.816
Base-Backbone interact. energy: -2.388
local terms energy: -308.630159
where:
bonds (distance) C4'-P energy: -73.194
bonds (distance) P-C4' energy: -82.690
flat angles C4'-P-C4' energy: -71.186
flat angles P-C4'-P energy: -43.296
tors. eta vs tors. theta energy: -38.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 8
Temperature: 1.100000
Total energy: -607.118725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -607.118725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -607.118725 (E_RNA)
where:
Base-Base interactions energy: -302.487
where: short stacking energy: -191.653
Base-Backbone interact. energy: -0.820
local terms energy: -303.812183
where:
bonds (distance) C4'-P energy: -62.440
bonds (distance) P-C4' energy: -76.544
flat angles C4'-P-C4' energy: -78.849
flat angles P-C4'-P energy: -52.241
tors. eta vs tors. theta energy: -33.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 8
Temperature: 1.150000
Total energy: -688.758723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -688.758723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -688.758723 (E_RNA)
where:
Base-Base interactions energy: -424.758
where: short stacking energy: -196.692
Base-Backbone interact. energy: 1.133
local terms energy: -265.133455
where:
bonds (distance) C4'-P energy: -60.628
bonds (distance) P-C4' energy: -52.259
flat angles C4'-P-C4' energy: -72.627
flat angles P-C4'-P energy: -47.870
tors. eta vs tors. theta energy: -31.750
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: 7, replica: 6
=====================================
Write number: 8
Temperature: 1.200000
Total energy: -492.634903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.634903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.634903 (E_RNA)
where:
Base-Base interactions energy: -224.722
where: short stacking energy: -178.871
Base-Backbone interact. energy: -1.022
local terms energy: -266.891065
where:
bonds (distance) C4'-P energy: -69.198
bonds (distance) P-C4' energy: -76.185
flat angles C4'-P-C4' energy: -67.667
flat angles P-C4'-P energy: -36.700
tors. eta vs tors. theta energy: -17.141
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: 7
=====================================
Write number: 8
Temperature: 1.250000
Total energy: -394.105864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.105864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -394.105864 (E_RNA)
where:
Base-Base interactions energy: -161.235
where: short stacking energy: -122.038
Base-Backbone interact. energy: -1.126
local terms energy: -231.744279
where:
bonds (distance) C4'-P energy: -63.460
bonds (distance) P-C4' energy: -64.825
flat angles C4'-P-C4' energy: -67.256
flat angles P-C4'-P energy: -37.517
tors. eta vs tors. theta energy: 1.313
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: 8
Temperature: 1.300000
Total energy: -427.266886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.266886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.266886 (E_RNA)
where:
Base-Base interactions energy: -190.037
where: short stacking energy: -129.044
Base-Backbone interact. energy: -1.429
local terms energy: -235.801295
where:
bonds (distance) C4'-P energy: -68.360
bonds (distance) P-C4' energy: -71.749
flat angles C4'-P-C4' energy: -60.523
flat angles P-C4'-P energy: -38.727
tors. eta vs tors. theta energy: 3.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 8
Temperature: 1.350000
Total energy: -343.325573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.325573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.325573 (E_RNA)
where:
Base-Base interactions energy: -139.154
where: short stacking energy: -86.836
Base-Backbone interact. energy: 0.219
local terms energy: -204.390608
where:
bonds (distance) C4'-P energy: -52.835
bonds (distance) P-C4' energy: -63.591
flat angles C4'-P-C4' energy: -67.638
flat angles P-C4'-P energy: -32.352
tors. eta vs tors. theta energy: 12.025
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: 9
Temperature: 0.900000
Total energy: -862.215554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -862.215554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -862.215554 (E_RNA)
where:
Base-Base interactions energy: -490.264
where: short stacking energy: -321.281
Base-Backbone interact. energy: 0.404
local terms energy: -372.355697
where:
bonds (distance) C4'-P energy: -72.754
bonds (distance) P-C4' energy: -79.270
flat angles C4'-P-C4' energy: -77.711
flat angles P-C4'-P energy: -55.445
tors. eta vs tors. theta energy: -87.176
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: 2, replica: 4
=====================================
Write number: 9
Temperature: 0.950000
Total energy: -918.138569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -918.138569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -918.138569 (E_RNA)
where:
Base-Base interactions energy: -551.225
where: short stacking energy: -313.841
Base-Backbone interact. energy: -0.038
local terms energy: -366.875030
where:
bonds (distance) C4'-P energy: -65.565
bonds (distance) P-C4' energy: -84.421
flat angles C4'-P-C4' energy: -83.187
flat angles P-C4'-P energy: -59.133
tors. eta vs tors. theta energy: -74.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 9
Temperature: 1.000000
Total energy: -722.522824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -722.522824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -722.522824 (E_RNA)
where:
Base-Base interactions energy: -378.781
where: short stacking energy: -275.428
Base-Backbone interact. energy: -1.159
local terms energy: -342.583016
where:
bonds (distance) C4'-P energy: -74.858
bonds (distance) P-C4' energy: -75.652
flat angles C4'-P-C4' energy: -74.488
flat angles P-C4'-P energy: -46.951
tors. eta vs tors. theta energy: -70.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 9
Temperature: 1.050000
Total energy: -704.347075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -704.347075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -704.347075 (E_RNA)
where:
Base-Base interactions energy: -368.050
where: short stacking energy: -220.575
Base-Backbone interact. energy: -1.599
local terms energy: -334.698149
where:
bonds (distance) C4'-P energy: -71.113
bonds (distance) P-C4' energy: -81.491
flat angles C4'-P-C4' energy: -77.650
flat angles P-C4'-P energy: -47.242
tors. eta vs tors. theta energy: -57.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 9
Temperature: 1.100000
Total energy: -632.656019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -632.656019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -632.656019 (E_RNA)
where:
Base-Base interactions energy: -338.877
where: short stacking energy: -205.598
Base-Backbone interact. energy: -0.069
local terms energy: -293.710779
where:
bonds (distance) C4'-P energy: -63.595
bonds (distance) P-C4' energy: -73.134
flat angles C4'-P-C4' energy: -65.407
flat angles P-C4'-P energy: -56.905
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: 6, replica: 10
=====================================
Write number: 9
Temperature: 1.150000
Total energy: -696.713338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -696.713338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -696.713338 (E_RNA)
where:
Base-Base interactions energy: -435.272
where: short stacking energy: -219.457
Base-Backbone interact. energy: -1.483
local terms energy: -259.958642
where:
bonds (distance) C4'-P energy: -67.980
bonds (distance) P-C4' energy: -74.708
flat angles C4'-P-C4' energy: -61.508
flat angles P-C4'-P energy: -37.696
tors. eta vs tors. theta energy: -18.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 9
Temperature: 1.200000
Total energy: -494.630481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.630481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.630481 (E_RNA)
where:
Base-Base interactions energy: -252.719
where: short stacking energy: -181.498
Base-Backbone interact. energy: 0.511
local terms energy: -242.422584
where:
bonds (distance) C4'-P energy: -59.360
bonds (distance) P-C4' energy: -78.258
flat angles C4'-P-C4' energy: -65.237
flat angles P-C4'-P energy: -25.497
tors. eta vs tors. theta energy: -14.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 9
Temperature: 1.250000
Total energy: -421.384599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.384599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.384599 (E_RNA)
where:
Base-Base interactions energy: -176.485
where: short stacking energy: -127.435
Base-Backbone interact. energy: -0.938
local terms energy: -243.961761
where:
bonds (distance) C4'-P energy: -75.512
bonds (distance) P-C4' energy: -75.286
flat angles C4'-P-C4' energy: -53.807
flat angles P-C4'-P energy: -31.862
tors. eta vs tors. theta energy: -7.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 9
Temperature: 1.300000
Total energy: -348.497161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.497161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.497161 (E_RNA)
where:
Base-Base interactions energy: -128.554
where: short stacking energy: -110.594
Base-Backbone interact. energy: 5.604
local terms energy: -225.547551
where:
bonds (distance) C4'-P energy: -66.218
bonds (distance) P-C4' energy: -61.964
flat angles C4'-P-C4' energy: -53.026
flat angles P-C4'-P energy: -43.962
tors. eta vs tors. theta energy: -0.377
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: 10, replica: 8
=====================================
Write number: 9
Temperature: 1.350000
Total energy: -386.206802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.206802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.206802 (E_RNA)
where:
Base-Base interactions energy: -160.518
where: short stacking energy: -86.373
Base-Backbone interact. energy: 0.095
local terms energy: -225.783883
where:
bonds (distance) C4'-P energy: -69.813
bonds (distance) P-C4' energy: -69.432
flat angles C4'-P-C4' energy: -50.388
flat angles P-C4'-P energy: -41.896
tors. eta vs tors. theta energy: 5.746
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: 1, replica: 4
=====================================
Write number: 10
Temperature: 0.900000
Total energy: -972.467715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -972.467715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -972.467715 (E_RNA)
where:
Base-Base interactions energy: -610.936
where: short stacking energy: -332.021
Base-Backbone interact. energy: 2.305
local terms energy: -363.836759
where:
bonds (distance) C4'-P energy: -77.343
bonds (distance) P-C4' energy: -68.254
flat angles C4'-P-C4' energy: -83.272
flat angles P-C4'-P energy: -53.021
tors. eta vs tors. theta energy: -81.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 10
Temperature: 0.950000
Total energy: -796.984890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -796.984890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -796.984890 (E_RNA)
where:
Base-Base interactions energy: -455.209
where: short stacking energy: -295.539
Base-Backbone interact. energy: 0.529
local terms energy: -342.305019
where:
bonds (distance) C4'-P energy: -76.771
bonds (distance) P-C4' energy: -75.636
flat angles C4'-P-C4' energy: -75.513
flat angles P-C4'-P energy: -42.442
tors. eta vs tors. theta energy: -71.944
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: 1
=====================================
Write number: 10
Temperature: 1.000000
Total energy: -728.421261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -728.421261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -728.421261 (E_RNA)
where:
Base-Base interactions energy: -373.216
where: short stacking energy: -302.297
Base-Backbone interact. energy: 0.361
local terms energy: -355.566373
where:
bonds (distance) C4'-P energy: -68.061
bonds (distance) P-C4' energy: -78.985
flat angles C4'-P-C4' energy: -89.900
flat angles P-C4'-P energy: -49.372
tors. eta vs tors. theta energy: -69.248
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: 3
=====================================
Write number: 10
Temperature: 1.050000
Total energy: -704.330523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -704.330523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -704.330523 (E_RNA)
where:
Base-Base interactions energy: -380.286
where: short stacking energy: -254.197
Base-Backbone interact. energy: 0.806
local terms energy: -324.850489
where:
bonds (distance) C4'-P energy: -70.098
bonds (distance) P-C4' energy: -72.819
flat angles C4'-P-C4' energy: -70.517
flat angles P-C4'-P energy: -52.866
tors. eta vs tors. theta energy: -58.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 10
Temperature: 1.100000
Total energy: -739.988990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -739.988990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -739.988990 (E_RNA)
where:
Base-Base interactions energy: -449.518
where: short stacking energy: -231.000
Base-Backbone interact. energy: 1.391
local terms energy: -291.861933
where:
bonds (distance) C4'-P energy: -73.406
bonds (distance) P-C4' energy: -71.447
flat angles C4'-P-C4' energy: -66.049
flat angles P-C4'-P energy: -28.844
tors. eta vs tors. theta energy: -52.117
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: 6, replica: 5
=====================================
Write number: 10
Temperature: 1.150000
Total energy: -570.419819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -570.419819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -570.419819 (E_RNA)
where:
Base-Base interactions energy: -282.431
where: short stacking energy: -191.493
Base-Backbone interact. energy: -1.071
local terms energy: -286.918571
where:
bonds (distance) C4'-P energy: -59.363
bonds (distance) P-C4' energy: -70.301
flat angles C4'-P-C4' energy: -77.445
flat angles P-C4'-P energy: -43.887
tors. eta vs tors. theta energy: -35.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 10
Temperature: 1.200000
Total energy: -498.235175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.235175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.235175 (E_RNA)
where:
Base-Base interactions energy: -246.180
where: short stacking energy: -130.939
Base-Backbone interact. energy: -2.277
local terms energy: -249.777465
where:
bonds (distance) C4'-P energy: -60.443
bonds (distance) P-C4' energy: -71.089
flat angles C4'-P-C4' energy: -65.021
flat angles P-C4'-P energy: -47.874
tors. eta vs tors. theta energy: -5.351
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: 8, replica: 6
=====================================
Write number: 10
Temperature: 1.250000
Total energy: -450.721494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.721494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.721494 (E_RNA)
where:
Base-Base interactions energy: -216.235
where: short stacking energy: -152.817
Base-Backbone interact. energy: -2.114
local terms energy: -232.373153
where:
bonds (distance) C4'-P energy: -63.459
bonds (distance) P-C4' energy: -66.406
flat angles C4'-P-C4' energy: -58.071
flat angles P-C4'-P energy: -40.904
tors. eta vs tors. theta energy: -3.533
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: 7
=====================================
Write number: 10
Temperature: 1.300000
Total energy: -361.625523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.625523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.625523 (E_RNA)
where:
Base-Base interactions energy: -164.299
where: short stacking energy: -112.442
Base-Backbone interact. energy: -1.107
local terms energy: -196.219217
where:
bonds (distance) C4'-P energy: -56.206
bonds (distance) P-C4' energy: -67.609
flat angles C4'-P-C4' energy: -60.822
flat angles P-C4'-P energy: -11.221
tors. eta vs tors. theta energy: -0.362
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: 10, replica: 8
=====================================
Write number: 10
Temperature: 1.350000
Total energy: -333.041940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.041940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.041940 (E_RNA)
where:
Base-Base interactions energy: -128.735
where: short stacking energy: -103.889
Base-Backbone interact. energy: -1.229
local terms energy: -203.078417
where:
bonds (distance) C4'-P energy: -68.396
bonds (distance) P-C4' energy: -41.817
flat angles C4'-P-C4' energy: -68.409
flat angles P-C4'-P energy: -26.608
tors. eta vs tors. theta energy: 2.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 11
Temperature: 0.900000
Total energy: -1003.988837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1003.988837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1003.988837 (E_RNA)
where:
Base-Base interactions energy: -625.197
where: short stacking energy: -332.667
Base-Backbone interact. energy: 0.402
local terms energy: -379.193651
where:
bonds (distance) C4'-P energy: -75.487
bonds (distance) P-C4' energy: -80.580
flat angles C4'-P-C4' energy: -81.442
flat angles P-C4'-P energy: -50.295
tors. eta vs tors. theta energy: -91.390
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: 2
=====================================
Write number: 11
Temperature: 0.950000
Total energy: -783.882982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -783.882982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -783.882982 (E_RNA)
where:
Base-Base interactions energy: -425.913
where: short stacking energy: -286.358
Base-Backbone interact. energy: -0.284
local terms energy: -357.686268
where:
bonds (distance) C4'-P energy: -70.021
bonds (distance) P-C4' energy: -90.307
flat angles C4'-P-C4' energy: -72.035
flat angles P-C4'-P energy: -52.676
tors. eta vs tors. theta energy: -72.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 11
Temperature: 1.000000
Total energy: -672.939871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -672.939871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -672.939871 (E_RNA)
where:
Base-Base interactions energy: -338.128
where: short stacking energy: -239.180
Base-Backbone interact. energy: -0.941
local terms energy: -333.871039
where:
bonds (distance) C4'-P energy: -83.951
bonds (distance) P-C4' energy: -72.725
flat angles C4'-P-C4' energy: -74.219
flat angles P-C4'-P energy: -56.918
tors. eta vs tors. theta energy: -46.059
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 11
Temperature: 1.050000
Total energy: -826.694117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -826.694117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -826.694117 (E_RNA)
where:
Base-Base interactions energy: -495.848
where: short stacking energy: -258.619
Base-Backbone interact. energy: 1.260
local terms energy: -332.106901
where:
bonds (distance) C4'-P energy: -72.029
bonds (distance) P-C4' energy: -74.619
flat angles C4'-P-C4' energy: -79.714
flat angles P-C4'-P energy: -56.661
tors. eta vs tors. theta energy: -49.084
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: 5, replica: 3
=====================================
Write number: 11
Temperature: 1.100000
Total energy: -704.374910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -704.374910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -704.374910 (E_RNA)
where:
Base-Base interactions energy: -412.572
where: short stacking energy: -209.959
Base-Backbone interact. energy: -2.391
local terms energy: -289.412016
where:
bonds (distance) C4'-P energy: -74.901
bonds (distance) P-C4' energy: -77.339
flat angles C4'-P-C4' energy: -68.237
flat angles P-C4'-P energy: -35.808
tors. eta vs tors. theta energy: -33.127
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: 11
Temperature: 1.150000
Total energy: -536.762175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.762175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.762175 (E_RNA)
where:
Base-Base interactions energy: -292.354
where: short stacking energy: -151.866
Base-Backbone interact. energy: -1.168
local terms energy: -243.239636
where:
bonds (distance) C4'-P energy: -74.968
bonds (distance) P-C4' energy: -66.571
flat angles C4'-P-C4' energy: -60.127
flat angles P-C4'-P energy: -30.744
tors. eta vs tors. theta energy: -10.829
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: 11
Temperature: 1.200000
Total energy: -411.642815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.642815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.642815 (E_RNA)
where:
Base-Base interactions energy: -196.114
where: short stacking energy: -121.360
Base-Backbone interact. energy: 0.055
local terms energy: -215.583043
where:
bonds (distance) C4'-P energy: -67.165
bonds (distance) P-C4' energy: -75.951
flat angles C4'-P-C4' energy: -62.236
flat angles P-C4'-P energy: -24.342
tors. eta vs tors. theta energy: 14.112
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: 6
=====================================
Write number: 11
Temperature: 1.250000
Total energy: -438.519356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.519356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.519356 (E_RNA)
where:
Base-Base interactions energy: -209.094
where: short stacking energy: -122.859
Base-Backbone interact. energy: 0.258
local terms energy: -229.683410
where:
bonds (distance) C4'-P energy: -50.428
bonds (distance) P-C4' energy: -76.531
flat angles C4'-P-C4' energy: -64.866
flat angles P-C4'-P energy: -40.478
tors. eta vs tors. theta energy: 2.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 11
Temperature: 1.300000
Total energy: -343.029960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.029960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.029960 (E_RNA)
where:
Base-Base interactions energy: -148.366
where: short stacking energy: -121.902
Base-Backbone interact. energy: 1.432
local terms energy: -196.096051
where:
bonds (distance) C4'-P energy: -67.588
bonds (distance) P-C4' energy: -58.417
flat angles C4'-P-C4' energy: -49.282
flat angles P-C4'-P energy: -20.957
tors. eta vs tors. theta energy: 0.148
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: 10, replica: 8
=====================================
Write number: 11
Temperature: 1.350000
Total energy: -322.137591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.137591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.137591 (E_RNA)
where:
Base-Base interactions energy: -122.346
where: short stacking energy: -90.891
Base-Backbone interact. energy: 6.492
local terms energy: -206.283585
where:
bonds (distance) C4'-P energy: -72.824
bonds (distance) P-C4' energy: -70.920
flat angles C4'-P-C4' energy: -50.591
flat angles P-C4'-P energy: -25.569
tors. eta vs tors. theta energy: 13.621
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: 1, replica: 4
=====================================
Write number: 12
Temperature: 0.900000
Total energy: -1018.810378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1018.810378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1018.810378 (E_RNA)
where:
Base-Base interactions energy: -631.896
where: short stacking energy: -325.244
Base-Backbone interact. energy: -2.053
local terms energy: -384.861587
where:
bonds (distance) C4'-P energy: -71.672
bonds (distance) P-C4' energy: -75.928
flat angles C4'-P-C4' energy: -90.721
flat angles P-C4'-P energy: -59.874
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: 2, replica: 2
=====================================
Write number: 12
Temperature: 0.950000
Total energy: -765.654954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -765.654954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -765.654954 (E_RNA)
where:
Base-Base interactions energy: -430.398
where: short stacking energy: -256.660
Base-Backbone interact. energy: 2.391
local terms energy: -337.648295
where:
bonds (distance) C4'-P energy: -86.520
bonds (distance) P-C4' energy: -75.610
flat angles C4'-P-C4' energy: -81.295
flat angles P-C4'-P energy: -38.611
tors. eta vs tors. theta energy: -55.612
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: 10
=====================================
Write number: 12
Temperature: 1.000000
Total energy: -917.576385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -917.576385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -917.576385 (E_RNA)
where:
Base-Base interactions energy: -582.084
where: short stacking energy: -283.395
Base-Backbone interact. energy: -2.237
local terms energy: -333.254802
where:
bonds (distance) C4'-P energy: -69.257
bonds (distance) P-C4' energy: -70.886
flat angles C4'-P-C4' energy: -76.369
flat angles P-C4'-P energy: -48.525
tors. eta vs tors. theta energy: -68.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 12
Temperature: 1.050000
Total energy: -659.232096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -659.232096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -659.232096 (E_RNA)
where:
Base-Base interactions energy: -328.953
where: short stacking energy: -242.838
Base-Backbone interact. energy: 0.640
local terms energy: -330.918998
where:
bonds (distance) C4'-P energy: -68.059
bonds (distance) P-C4' energy: -70.746
flat angles C4'-P-C4' energy: -78.600
flat angles P-C4'-P energy: -54.721
tors. eta vs tors. theta energy: -58.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 12
Temperature: 1.100000
Total energy: -710.759660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -710.759660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -710.759660 (E_RNA)
where:
Base-Base interactions energy: -407.501
where: short stacking energy: -224.185
Base-Backbone interact. energy: -1.794
local terms energy: -301.464693
where:
bonds (distance) C4'-P energy: -70.998
bonds (distance) P-C4' energy: -69.990
flat angles C4'-P-C4' energy: -77.710
flat angles P-C4'-P energy: -39.089
tors. eta vs tors. theta energy: -43.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 12
Temperature: 1.150000
Total energy: -608.649191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -608.649191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -608.649191 (E_RNA)
where:
Base-Base interactions energy: -332.722
where: short stacking energy: -177.482
Base-Backbone interact. energy: 1.437
local terms energy: -277.364100
where:
bonds (distance) C4'-P energy: -76.533
bonds (distance) P-C4' energy: -71.212
flat angles C4'-P-C4' energy: -77.934
flat angles P-C4'-P energy: -34.614
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: 7, replica: 5
=====================================
Write number: 12
Temperature: 1.200000
Total energy: -429.477567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.477567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.477567 (E_RNA)
where:
Base-Base interactions energy: -179.285
where: short stacking energy: -114.474
Base-Backbone interact. energy: -2.282
local terms energy: -247.910652
where:
bonds (distance) C4'-P energy: -63.057
bonds (distance) P-C4' energy: -69.084
flat angles C4'-P-C4' energy: -67.132
flat angles P-C4'-P energy: -40.825
tors. eta vs tors. theta energy: -7.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 12
Temperature: 1.250000
Total energy: -511.062438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.062438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.062438 (E_RNA)
where:
Base-Base interactions energy: -295.497
where: short stacking energy: -148.650
Base-Backbone interact. energy: 1.596
local terms energy: -217.160591
where:
bonds (distance) C4'-P energy: -57.597
bonds (distance) P-C4' energy: -65.511
flat angles C4'-P-C4' energy: -56.258
flat angles P-C4'-P energy: -24.900
tors. eta vs tors. theta energy: -12.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 12
Temperature: 1.300000
Total energy: -376.620568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.620568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.620568 (E_RNA)
where:
Base-Base interactions energy: -145.372
where: short stacking energy: -126.924
Base-Backbone interact. energy: -1.686
local terms energy: -229.562659
where:
bonds (distance) C4'-P energy: -70.518
bonds (distance) P-C4' energy: -71.131
flat angles C4'-P-C4' energy: -63.216
flat angles P-C4'-P energy: -35.715
tors. eta vs tors. theta energy: 11.018
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: 10, replica: 7
=====================================
Write number: 12
Temperature: 1.350000
Total energy: -319.663214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.663214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.663214 (E_RNA)
where:
Base-Base interactions energy: -87.784
where: short stacking energy: -80.814
Base-Backbone interact. energy: -0.055
local terms energy: -232.530110
where:
bonds (distance) C4'-P energy: -65.335
bonds (distance) P-C4' energy: -74.672
flat angles C4'-P-C4' energy: -57.938
flat angles P-C4'-P energy: -33.438
tors. eta vs tors. theta energy: -1.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.706 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 13
Temperature: 0.900000
Total energy: -1048.800848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1048.800848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1048.800848 (E_RNA)
where:
Base-Base interactions energy: -659.512
where: short stacking energy: -341.176
Base-Backbone interact. energy: -0.717
local terms energy: -388.571837
where:
bonds (distance) C4'-P energy: -78.321
bonds (distance) P-C4' energy: -79.310
flat angles C4'-P-C4' energy: -81.658
flat angles P-C4'-P energy: -57.199
tors. eta vs tors. theta energy: -92.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 13
Temperature: 0.950000
Total energy: -1054.801834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1054.801834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1054.801834 (E_RNA)
where:
Base-Base interactions energy: -683.813
where: short stacking energy: -320.645
Base-Backbone interact. energy: 0.008
local terms energy: -370.996694
where:
bonds (distance) C4'-P energy: -88.525
bonds (distance) P-C4' energy: -71.163
flat angles C4'-P-C4' energy: -78.441
flat angles P-C4'-P energy: -56.070
tors. eta vs tors. theta energy: -76.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 13
Temperature: 1.000000
Total energy: -769.804600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -769.804600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -769.804600 (E_RNA)
where:
Base-Base interactions energy: -443.387
where: short stacking energy: -242.125
Base-Backbone interact. energy: 0.169
local terms energy: -326.586939
where:
bonds (distance) C4'-P energy: -78.744
bonds (distance) P-C4' energy: -77.339
flat angles C4'-P-C4' energy: -80.524
flat angles P-C4'-P energy: -53.166
tors. eta vs tors. theta energy: -36.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 13
Temperature: 1.050000
Total energy: -715.908364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -715.908364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -715.908364 (E_RNA)
where:
Base-Base interactions energy: -411.225
where: short stacking energy: -247.879
Base-Backbone interact. energy: 2.156
local terms energy: -306.838804
where:
bonds (distance) C4'-P energy: -70.771
bonds (distance) P-C4' energy: -74.792
flat angles C4'-P-C4' energy: -74.059
flat angles P-C4'-P energy: -45.031
tors. eta vs tors. theta energy: -42.187
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: 1
=====================================
Write number: 13
Temperature: 1.100000
Total energy: -602.452689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -602.452689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -602.452689 (E_RNA)
where:
Base-Base interactions energy: -302.826
where: short stacking energy: -213.182
Base-Backbone interact. energy: 0.319
local terms energy: -299.946136
where:
bonds (distance) C4'-P energy: -68.768
bonds (distance) P-C4' energy: -74.365
flat angles C4'-P-C4' energy: -62.254
flat angles P-C4'-P energy: -49.337
tors. eta vs tors. theta energy: -45.222
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: 9
=====================================
Write number: 13
Temperature: 1.150000
Total energy: -637.324984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -637.324984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -637.324984 (E_RNA)
where:
Base-Base interactions energy: -355.974
where: short stacking energy: -186.892
Base-Backbone interact. energy: -0.671
local terms energy: -280.680000
where:
bonds (distance) C4'-P energy: -71.395
bonds (distance) P-C4' energy: -63.583
flat angles C4'-P-C4' energy: -74.204
flat angles P-C4'-P energy: -47.933
tors. eta vs tors. theta energy: -23.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 13
Temperature: 1.200000
Total energy: -544.966358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.966358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.966358 (E_RNA)
where:
Base-Base interactions energy: -271.844
where: short stacking energy: -138.144
Base-Backbone interact. energy: -2.032
local terms energy: -271.090558
where:
bonds (distance) C4'-P energy: -70.349
bonds (distance) P-C4' energy: -77.147
flat angles C4'-P-C4' energy: -71.968
flat angles P-C4'-P energy: -47.664
tors. eta vs tors. theta energy: -3.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 13
Temperature: 1.250000
Total energy: -512.389646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.389646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.389646 (E_RNA)
where:
Base-Base interactions energy: -270.134
where: short stacking energy: -134.529
Base-Backbone interact. energy: 1.028
local terms energy: -243.283247
where:
bonds (distance) C4'-P energy: -72.960
bonds (distance) P-C4' energy: -60.706
flat angles C4'-P-C4' energy: -63.503
flat angles P-C4'-P energy: -36.286
tors. eta vs tors. theta energy: -9.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 13
Temperature: 1.300000
Total energy: -348.478920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.478920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.478920 (E_RNA)
where:
Base-Base interactions energy: -132.522
where: short stacking energy: -117.279
Base-Backbone interact. energy: -1.227
local terms energy: -214.729711
where:
bonds (distance) C4'-P energy: -50.038
bonds (distance) P-C4' energy: -76.549
flat angles C4'-P-C4' energy: -61.315
flat angles P-C4'-P energy: -33.938
tors. eta vs tors. theta energy: 7.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 13
Temperature: 1.350000
Total energy: -327.617237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.617237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.617237 (E_RNA)
where:
Base-Base interactions energy: -140.324
where: short stacking energy: -120.554
Base-Backbone interact. energy: 1.221
local terms energy: -188.514551
where:
bonds (distance) C4'-P energy: -55.819
bonds (distance) P-C4' energy: -55.254
flat angles C4'-P-C4' energy: -54.369
flat angles P-C4'-P energy: -26.311
tors. eta vs tors. theta energy: 3.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 14
Temperature: 0.900000
Total energy: -1065.173035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1065.173035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1065.173035 (E_RNA)
where:
Base-Base interactions energy: -679.933
where: short stacking energy: -360.831
Base-Backbone interact. energy: -0.514
local terms energy: -384.726018
where:
bonds (distance) C4'-P energy: -67.317
bonds (distance) P-C4' energy: -72.252
flat angles C4'-P-C4' energy: -86.051
flat angles P-C4'-P energy: -54.908
tors. eta vs tors. theta energy: -104.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 14
Temperature: 0.950000
Total energy: -1067.785656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1067.785656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1067.785656 (E_RNA)
where:
Base-Base interactions energy: -708.412
where: short stacking energy: -330.668
Base-Backbone interact. energy: -1.049
local terms energy: -358.324271
where:
bonds (distance) C4'-P energy: -68.250
bonds (distance) P-C4' energy: -74.923
flat angles C4'-P-C4' energy: -81.297
flat angles P-C4'-P energy: -53.301
tors. eta vs tors. theta energy: -80.553
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: 2
=====================================
Write number: 14
Temperature: 1.000000
Total energy: -802.443994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -802.443994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -802.443994 (E_RNA)
where:
Base-Base interactions energy: -498.271
where: short stacking energy: -238.289
Base-Backbone interact. energy: -1.303
local terms energy: -302.870443
where:
bonds (distance) C4'-P energy: -64.023
bonds (distance) P-C4' energy: -76.214
flat angles C4'-P-C4' energy: -72.186
flat angles P-C4'-P energy: -44.936
tors. eta vs tors. theta energy: -45.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 14
Temperature: 1.050000
Total energy: -702.088808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -702.088808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -702.088808 (E_RNA)
where:
Base-Base interactions energy: -405.453
where: short stacking energy: -226.045
Base-Backbone interact. energy: -1.105
local terms energy: -295.530808
where:
bonds (distance) C4'-P energy: -62.726
bonds (distance) P-C4' energy: -83.421
flat angles C4'-P-C4' energy: -79.502
flat angles P-C4'-P energy: -31.434
tors. eta vs tors. theta energy: -38.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 14
Temperature: 1.100000
Total energy: -744.392833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -744.392833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -744.392833 (E_RNA)
where:
Base-Base interactions energy: -431.206
where: short stacking energy: -194.422
Base-Backbone interact. energy: 1.214
local terms energy: -314.401289
where:
bonds (distance) C4'-P energy: -68.085
bonds (distance) P-C4' energy: -76.311
flat angles C4'-P-C4' energy: -70.328
flat angles P-C4'-P energy: -48.450
tors. eta vs tors. theta energy: -51.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 14
Temperature: 1.150000
Total energy: -543.548790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.548790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.548790 (E_RNA)
where:
Base-Base interactions energy: -289.494
where: short stacking energy: -161.467
Base-Backbone interact. energy: -1.157
local terms energy: -252.898487
where:
bonds (distance) C4'-P energy: -68.282
bonds (distance) P-C4' energy: -61.477
flat angles C4'-P-C4' energy: -55.026
flat angles P-C4'-P energy: -49.004
tors. eta vs tors. theta energy: -19.110
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: 7, replica: 5
=====================================
Write number: 14
Temperature: 1.200000
Total energy: -518.994875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.994875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.994875 (E_RNA)
where:
Base-Base interactions energy: -260.292
where: short stacking energy: -157.999
Base-Backbone interact. energy: -0.813
local terms energy: -257.889358
where:
bonds (distance) C4'-P energy: -72.740
bonds (distance) P-C4' energy: -61.190
flat angles C4'-P-C4' energy: -70.285
flat angles P-C4'-P energy: -32.194
tors. eta vs tors. theta energy: -21.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 14
Temperature: 1.250000
Total energy: -502.761037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.761037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.761037 (E_RNA)
where:
Base-Base interactions energy: -248.970
where: short stacking energy: -171.656
Base-Backbone interact. energy: -1.949
local terms energy: -251.841848
where:
bonds (distance) C4'-P energy: -57.621
bonds (distance) P-C4' energy: -74.213
flat angles C4'-P-C4' energy: -64.025
flat angles P-C4'-P energy: -36.002
tors. eta vs tors. theta energy: -19.980
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: 8
=====================================
Write number: 14
Temperature: 1.300000
Total energy: -334.930817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.930817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.930817 (E_RNA)
where:
Base-Base interactions energy: -116.204
where: short stacking energy: -96.176
Base-Backbone interact. energy: 0.673
local terms energy: -219.400259
where:
bonds (distance) C4'-P energy: -56.574
bonds (distance) P-C4' energy: -63.578
flat angles C4'-P-C4' energy: -51.887
flat angles P-C4'-P energy: -43.669
tors. eta vs tors. theta energy: -3.693
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: 7
=====================================
Write number: 14
Temperature: 1.350000
Total energy: -381.572741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.572741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.572741 (E_RNA)
where:
Base-Base interactions energy: -152.834
where: short stacking energy: -118.821
Base-Backbone interact. energy: -0.085
local terms energy: -228.653852
where:
bonds (distance) C4'-P energy: -74.267
bonds (distance) P-C4' energy: -67.966
flat angles C4'-P-C4' energy: -51.709
flat angles P-C4'-P energy: -31.172
tors. eta vs tors. theta energy: -3.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 15
Temperature: 0.900000
Total energy: -1078.535730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1078.535730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1078.535730 (E_RNA)
where:
Base-Base interactions energy: -676.484
where: short stacking energy: -375.526
Base-Backbone interact. energy: -1.209
local terms energy: -400.842314
where:
bonds (distance) C4'-P energy: -78.294
bonds (distance) P-C4' energy: -73.804
flat angles C4'-P-C4' energy: -95.587
flat angles P-C4'-P energy: -51.996
tors. eta vs tors. theta energy: -101.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 15
Temperature: 0.950000
Total energy: -1059.524809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1059.524809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1059.524809 (E_RNA)
where:
Base-Base interactions energy: -671.822
where: short stacking energy: -308.153
Base-Backbone interact. energy: -0.630
local terms energy: -387.072514
where:
bonds (distance) C4'-P energy: -84.387
bonds (distance) P-C4' energy: -79.751
flat angles C4'-P-C4' energy: -81.987
flat angles P-C4'-P energy: -62.729
tors. eta vs tors. theta energy: -78.219
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: 2
=====================================
Write number: 15
Temperature: 1.000000
Total energy: -805.629135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -805.629135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -805.629135 (E_RNA)
where:
Base-Base interactions energy: -476.257
where: short stacking energy: -248.916
Base-Backbone interact. energy: -1.699
local terms energy: -327.672547
where:
bonds (distance) C4'-P energy: -76.846
bonds (distance) P-C4' energy: -76.667
flat angles C4'-P-C4' energy: -79.733
flat angles P-C4'-P energy: -51.424
tors. eta vs tors. theta energy: -43.003
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: 4, replica: 9
=====================================
Write number: 15
Temperature: 1.050000
Total energy: -825.744771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -825.744771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -825.744771 (E_RNA)
where:
Base-Base interactions energy: -497.584
where: short stacking energy: -237.345
Base-Backbone interact. energy: -0.994
local terms energy: -327.166519
where:
bonds (distance) C4'-P energy: -81.611
bonds (distance) P-C4' energy: -79.724
flat angles C4'-P-C4' energy: -71.646
flat angles P-C4'-P energy: -40.125
tors. eta vs tors. theta energy: -54.061
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: -691.882523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -691.882523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -691.882523 (E_RNA)
where:
Base-Base interactions energy: -394.348
where: short stacking energy: -218.377
Base-Backbone interact. energy: -1.660
local terms energy: -295.874699
where:
bonds (distance) C4'-P energy: -73.526
bonds (distance) P-C4' energy: -75.358
flat angles C4'-P-C4' energy: -53.538
flat angles P-C4'-P energy: -53.569
tors. eta vs tors. theta energy: -39.884
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: 1
=====================================
Write number: 15
Temperature: 1.150000
Total energy: -531.463331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.463331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.463331 (E_RNA)
where:
Base-Base interactions energy: -262.185
where: short stacking energy: -182.882
Base-Backbone interact. energy: 0.577
local terms energy: -269.855845
where:
bonds (distance) C4'-P energy: -72.358
bonds (distance) P-C4' energy: -65.720
flat angles C4'-P-C4' energy: -62.745
flat angles P-C4'-P energy: -39.875
tors. eta vs tors. theta energy: -29.158
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: 5
=====================================
Write number: 15
Temperature: 1.200000
Total energy: -618.739589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -618.739589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -618.739589 (E_RNA)
where:
Base-Base interactions energy: -334.425
where: short stacking energy: -195.030
Base-Backbone interact. energy: -1.058
local terms energy: -283.256882
where:
bonds (distance) C4'-P energy: -75.145
bonds (distance) P-C4' energy: -67.063
flat angles C4'-P-C4' energy: -65.973
flat angles P-C4'-P energy: -37.261
tors. eta vs tors. theta energy: -37.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 15
Temperature: 1.250000
Total energy: -493.171236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.171236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.171236 (E_RNA)
where:
Base-Base interactions energy: -277.540
where: short stacking energy: -131.912
Base-Backbone interact. energy: -3.077
local terms energy: -212.554286
where:
bonds (distance) C4'-P energy: -50.798
bonds (distance) P-C4' energy: -68.680
flat angles C4'-P-C4' energy: -60.920
flat angles P-C4'-P energy: -31.071
tors. eta vs tors. theta energy: -1.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 15
Temperature: 1.300000
Total energy: -343.271980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.271980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.271980 (E_RNA)
where:
Base-Base interactions energy: -122.004
where: short stacking energy: -105.046
Base-Backbone interact. energy: -1.081
local terms energy: -220.187065
where:
bonds (distance) C4'-P energy: -63.034
bonds (distance) P-C4' energy: -65.842
flat angles C4'-P-C4' energy: -54.475
flat angles P-C4'-P energy: -38.485
tors. eta vs tors. theta energy: 1.650
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: 10, replica: 7
=====================================
Write number: 15
Temperature: 1.350000
Total energy: -370.618469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.618469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.618469 (E_RNA)
where:
Base-Base interactions energy: -159.747
where: short stacking energy: -120.643
Base-Backbone interact. energy: -1.130
local terms energy: -209.740965
where:
bonds (distance) C4'-P energy: -51.774
bonds (distance) P-C4' energy: -74.342
flat angles C4'-P-C4' energy: -62.077
flat angles P-C4'-P energy: -30.453
tors. eta vs tors. theta energy: 8.905
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: 10
=====================================
Write number: 16
Temperature: 0.900000
Total energy: -1114.232184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1114.232184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1114.232184 (E_RNA)
where:
Base-Base interactions energy: -739.093
where: short stacking energy: -341.168
Base-Backbone interact. energy: -2.820
local terms energy: -372.318785
where:
bonds (distance) C4'-P energy: -80.492
bonds (distance) P-C4' energy: -74.553
flat angles C4'-P-C4' energy: -87.217
flat angles P-C4'-P energy: -53.610
tors. eta vs tors. theta energy: -76.446
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: 4
=====================================
Write number: 16
Temperature: 0.950000
Total energy: -1039.024279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1039.024279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1039.024279 (E_RNA)
where:
Base-Base interactions energy: -643.217
where: short stacking energy: -346.563
Base-Backbone interact. energy: -0.764
local terms energy: -395.043249
where:
bonds (distance) C4'-P energy: -77.236
bonds (distance) P-C4' energy: -82.286
flat angles C4'-P-C4' energy: -82.181
flat angles P-C4'-P energy: -61.346
tors. eta vs tors. theta energy: -91.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 16
Temperature: 1.000000
Total energy: -942.674099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -942.674099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -942.674099 (E_RNA)
where:
Base-Base interactions energy: -612.122
where: short stacking energy: -277.066
Base-Backbone interact. energy: -2.236
local terms energy: -328.316135
where:
bonds (distance) C4'-P energy: -69.519
bonds (distance) P-C4' energy: -74.357
flat angles C4'-P-C4' energy: -76.840
flat angles P-C4'-P energy: -46.879
tors. eta vs tors. theta energy: -60.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 16
Temperature: 1.050000
Total energy: -780.099220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -780.099220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -780.099220 (E_RNA)
where:
Base-Base interactions energy: -469.706
where: short stacking energy: -237.404
Base-Backbone interact. energy: -2.102
local terms energy: -308.291424
where:
bonds (distance) C4'-P energy: -77.001
bonds (distance) P-C4' energy: -76.719
flat angles C4'-P-C4' energy: -78.029
flat angles P-C4'-P energy: -33.022
tors. eta vs tors. theta energy: -43.520
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: 3
=====================================
Write number: 16
Temperature: 1.100000
Total energy: -730.840130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -730.840130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -730.840130 (E_RNA)
where:
Base-Base interactions energy: -431.575
where: short stacking energy: -204.363
Base-Backbone interact. energy: 2.480
local terms energy: -301.744869
where:
bonds (distance) C4'-P energy: -73.694
bonds (distance) P-C4' energy: -69.666
flat angles C4'-P-C4' energy: -75.487
flat angles P-C4'-P energy: -43.525
tors. eta vs tors. theta energy: -39.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 16
Temperature: 1.150000
Total energy: -572.740887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -572.740887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -572.740887 (E_RNA)
where:
Base-Base interactions energy: -279.293
where: short stacking energy: -173.860
Base-Backbone interact. energy: -0.599
local terms energy: -292.849258
where:
bonds (distance) C4'-P energy: -64.270
bonds (distance) P-C4' energy: -65.463
flat angles C4'-P-C4' energy: -80.536
flat angles P-C4'-P energy: -41.004
tors. eta vs tors. theta energy: -41.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 16
Temperature: 1.200000
Total energy: -579.368967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -579.368967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -579.368967 (E_RNA)
where:
Base-Base interactions energy: -303.386
where: short stacking energy: -182.205
Base-Backbone interact. energy: -0.251
local terms energy: -275.930140
where:
bonds (distance) C4'-P energy: -61.138
bonds (distance) P-C4' energy: -72.207
flat angles C4'-P-C4' energy: -74.125
flat angles P-C4'-P energy: -39.367
tors. eta vs tors. theta energy: -29.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.198 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 16
Temperature: 1.250000
Total energy: -488.736442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.736442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.736442 (E_RNA)
where:
Base-Base interactions energy: -244.798
where: short stacking energy: -149.532
Base-Backbone interact. energy: 1.231
local terms energy: -245.169297
where:
bonds (distance) C4'-P energy: -67.386
bonds (distance) P-C4' energy: -59.894
flat angles C4'-P-C4' energy: -61.738
flat angles P-C4'-P energy: -39.591
tors. eta vs tors. theta energy: -16.560
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: 16
Temperature: 1.300000
Total energy: -405.874986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.874986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.874986 (E_RNA)
where:
Base-Base interactions energy: -195.346
where: short stacking energy: -115.220
Base-Backbone interact. energy: -1.113
local terms energy: -209.416391
where:
bonds (distance) C4'-P energy: -73.755
bonds (distance) P-C4' energy: -62.662
flat angles C4'-P-C4' energy: -44.596
flat angles P-C4'-P energy: -28.194
tors. eta vs tors. theta energy: -0.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 16
Temperature: 1.350000
Total energy: -323.912330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.912330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.912330 (E_RNA)
where:
Base-Base interactions energy: -156.656
where: short stacking energy: -98.001
Base-Backbone interact. energy: 2.561
local terms energy: -169.817870
where:
bonds (distance) C4'-P energy: -49.875
bonds (distance) P-C4' energy: -61.524
flat angles C4'-P-C4' energy: -44.588
flat angles P-C4'-P energy: -29.425
tors. eta vs tors. theta energy: 15.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 17
Temperature: 0.900000
Total energy: -1126.293202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1126.293202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1126.293202 (E_RNA)
where:
Base-Base interactions energy: -761.695
where: short stacking energy: -332.272
Base-Backbone interact. energy: -0.802
local terms energy: -363.796742
where:
bonds (distance) C4'-P energy: -75.144
bonds (distance) P-C4' energy: -72.190
flat angles C4'-P-C4' energy: -81.880
flat angles P-C4'-P energy: -56.234
tors. eta vs tors. theta energy: -78.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 17
Temperature: 0.950000
Total energy: -1022.300429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1022.300429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1022.300429 (E_RNA)
where:
Base-Base interactions energy: -673.940
where: short stacking energy: -295.390
Base-Backbone interact. energy: -0.386
local terms energy: -347.974240
where:
bonds (distance) C4'-P energy: -70.784
bonds (distance) P-C4' energy: -67.857
flat angles C4'-P-C4' energy: -82.514
flat angles P-C4'-P energy: -58.039
tors. eta vs tors. theta energy: -68.779
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: 9
=====================================
Write number: 17
Temperature: 1.000000
Total energy: -967.457437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -967.457437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -967.457437 (E_RNA)
where:
Base-Base interactions energy: -603.257
where: short stacking energy: -292.242
Base-Backbone interact. energy: -2.108
local terms energy: -362.092889
where:
bonds (distance) C4'-P energy: -77.557
bonds (distance) P-C4' energy: -76.193
flat angles C4'-P-C4' energy: -89.220
flat angles P-C4'-P energy: -47.791
tors. eta vs tors. theta energy: -71.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 17
Temperature: 1.050000
Total energy: -828.426335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -828.426335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -828.426335 (E_RNA)
where:
Base-Base interactions energy: -492.459
where: short stacking energy: -255.477
Base-Backbone interact. energy: 0.772
local terms energy: -336.739549
where:
bonds (distance) C4'-P energy: -83.857
bonds (distance) P-C4' energy: -80.365
flat angles C4'-P-C4' energy: -84.388
flat angles P-C4'-P energy: -32.882
tors. eta vs tors. theta energy: -55.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 17
Temperature: 1.100000
Total energy: -753.284954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -753.284954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -753.284954 (E_RNA)
where:
Base-Base interactions energy: -459.420
where: short stacking energy: -202.353
Base-Backbone interact. energy: -2.564
local terms energy: -291.300724
where:
bonds (distance) C4'-P energy: -72.383
bonds (distance) P-C4' energy: -78.097
flat angles C4'-P-C4' energy: -62.138
flat angles P-C4'-P energy: -41.337
tors. eta vs tors. theta energy: -37.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 17
Temperature: 1.150000
Total energy: -584.985248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -584.985248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -584.985248 (E_RNA)
where:
Base-Base interactions energy: -295.108
where: short stacking energy: -172.865
Base-Backbone interact. energy: 3.976
local terms energy: -293.853683
where:
bonds (distance) C4'-P energy: -75.628
bonds (distance) P-C4' energy: -80.552
flat angles C4'-P-C4' energy: -62.612
flat angles P-C4'-P energy: -49.507
tors. eta vs tors. theta energy: -25.556
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: 17
Temperature: 1.200000
Total energy: -657.909868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -657.909868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -657.909868 (E_RNA)
where:
Base-Base interactions energy: -387.467
where: short stacking energy: -191.123
Base-Backbone interact. energy: 1.911
local terms energy: -272.354367
where:
bonds (distance) C4'-P energy: -65.095
bonds (distance) P-C4' energy: -71.901
flat angles C4'-P-C4' energy: -70.278
flat angles P-C4'-P energy: -32.906
tors. eta vs tors. theta energy: -32.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 17
Temperature: 1.250000
Total energy: -512.596740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.596740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.596740 (E_RNA)
where:
Base-Base interactions energy: -264.321
where: short stacking energy: -169.120
Base-Backbone interact. energy: -2.343
local terms energy: -245.932754
where:
bonds (distance) C4'-P energy: -60.949
bonds (distance) P-C4' energy: -60.723
flat angles C4'-P-C4' energy: -61.138
flat angles P-C4'-P energy: -39.180
tors. eta vs tors. theta energy: -23.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 17
Temperature: 1.300000
Total energy: -422.902492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.902492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.902492 (E_RNA)
where:
Base-Base interactions energy: -207.456
where: short stacking energy: -136.301
Base-Backbone interact. energy: 2.471
local terms energy: -217.918078
where:
bonds (distance) C4'-P energy: -60.615
bonds (distance) P-C4' energy: -63.515
flat angles C4'-P-C4' energy: -69.301
flat angles P-C4'-P energy: -19.687
tors. eta vs tors. theta energy: -4.801
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: 10, replica: 8
=====================================
Write number: 17
Temperature: 1.350000
Total energy: -322.828750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.828750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.828750 (E_RNA)
where:
Base-Base interactions energy: -116.122
where: short stacking energy: -100.470
Base-Backbone interact. energy: -1.715
local terms energy: -204.991325
where:
bonds (distance) C4'-P energy: -54.497
bonds (distance) P-C4' energy: -67.032
flat angles C4'-P-C4' energy: -62.824
flat angles P-C4'-P energy: -35.306
tors. eta vs tors. theta energy: 14.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 18
Temperature: 0.900000
Total energy: -1130.954978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1130.954978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1130.954978 (E_RNA)
where:
Base-Base interactions energy: -751.479
where: short stacking energy: -328.236
Base-Backbone interact. energy: -0.639
local terms energy: -378.836826
where:
bonds (distance) C4'-P energy: -77.219
bonds (distance) P-C4' energy: -92.291
flat angles C4'-P-C4' energy: -78.985
flat angles P-C4'-P energy: -56.738
tors. eta vs tors. theta energy: -73.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 18
Temperature: 0.950000
Total energy: -1054.840989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1054.840989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1054.840989 (E_RNA)
where:
Base-Base interactions energy: -691.597
where: short stacking energy: -335.516
Base-Backbone interact. energy: -2.027
local terms energy: -361.216711
where:
bonds (distance) C4'-P energy: -64.130
bonds (distance) P-C4' energy: -75.643
flat angles C4'-P-C4' energy: -78.702
flat angles P-C4'-P energy: -53.342
tors. eta vs tors. theta energy: -89.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 18
Temperature: 1.000000
Total energy: -929.485789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -929.485789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -929.485789 (E_RNA)
where:
Base-Base interactions energy: -581.627
where: short stacking energy: -262.744
Base-Backbone interact. energy: -0.884
local terms energy: -346.974658
where:
bonds (distance) C4'-P energy: -77.559
bonds (distance) P-C4' energy: -78.877
flat angles C4'-P-C4' energy: -77.968
flat angles P-C4'-P energy: -56.322
tors. eta vs tors. theta energy: -56.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 18
Temperature: 1.050000
Total energy: -799.282704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -799.282704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -799.282704 (E_RNA)
where:
Base-Base interactions energy: -475.735
where: short stacking energy: -245.867
Base-Backbone interact. energy: 2.090
local terms energy: -325.637333
where:
bonds (distance) C4'-P energy: -66.634
bonds (distance) P-C4' energy: -78.221
flat angles C4'-P-C4' energy: -79.325
flat angles P-C4'-P energy: -48.559
tors. eta vs tors. theta energy: -52.898
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: 5, replica: 2
=====================================
Write number: 18
Temperature: 1.100000
Total energy: -685.382109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -685.382109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -685.382109 (E_RNA)
where:
Base-Base interactions energy: -387.981
where: short stacking energy: -194.930
Base-Backbone interact. energy: -2.353
local terms energy: -295.048121
where:
bonds (distance) C4'-P energy: -79.517
bonds (distance) P-C4' energy: -69.845
flat angles C4'-P-C4' energy: -78.141
flat angles P-C4'-P energy: -44.311
tors. eta vs tors. theta energy: -23.233
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: 5
=====================================
Write number: 18
Temperature: 1.150000
Total energy: -627.444413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -627.444413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -627.444413 (E_RNA)
where:
Base-Base interactions energy: -319.123
where: short stacking energy: -171.365
Base-Backbone interact. energy: 1.110
local terms energy: -309.431213
where:
bonds (distance) C4'-P energy: -73.563
bonds (distance) P-C4' energy: -78.812
flat angles C4'-P-C4' energy: -66.150
flat angles P-C4'-P energy: -50.504
tors. eta vs tors. theta energy: -40.401
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: 1
=====================================
Write number: 18
Temperature: 1.200000
Total energy: -707.631155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -707.631155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -707.631155 (E_RNA)
where:
Base-Base interactions energy: -410.792
where: short stacking energy: -202.985
Base-Backbone interact. energy: -0.181
local terms energy: -296.657568
where:
bonds (distance) C4'-P energy: -75.745
bonds (distance) P-C4' energy: -70.550
flat angles C4'-P-C4' energy: -68.340
flat angles P-C4'-P energy: -48.716
tors. eta vs tors. theta energy: -33.308
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: 8, replica: 6
=====================================
Write number: 18
Temperature: 1.250000
Total energy: -490.308501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.308501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.308501 (E_RNA)
where:
Base-Base interactions energy: -254.436
where: short stacking energy: -140.581
Base-Backbone interact. energy: -1.388
local terms energy: -234.484999
where:
bonds (distance) C4'-P energy: -71.697
bonds (distance) P-C4' energy: -56.018
flat angles C4'-P-C4' energy: -53.637
flat angles P-C4'-P energy: -33.120
tors. eta vs tors. theta energy: -20.013
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: 9, replica: 7
=====================================
Write number: 18
Temperature: 1.300000
Total energy: -435.590526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.590526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.590526 (E_RNA)
where:
Base-Base interactions energy: -209.197
where: short stacking energy: -136.763
Base-Backbone interact. energy: -1.472
local terms energy: -224.921199
where:
bonds (distance) C4'-P energy: -57.789
bonds (distance) P-C4' energy: -63.365
flat angles C4'-P-C4' energy: -56.268
flat angles P-C4'-P energy: -26.359
tors. eta vs tors. theta energy: -21.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 18
Temperature: 1.350000
Total energy: -313.159689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.159689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.159689 (E_RNA)
where:
Base-Base interactions energy: -112.860
where: short stacking energy: -101.418
Base-Backbone interact. energy: -1.286
local terms energy: -199.378645
where:
bonds (distance) C4'-P energy: -59.611
bonds (distance) P-C4' energy: -68.604
flat angles C4'-P-C4' energy: -52.828
flat angles P-C4'-P energy: -26.007
tors. eta vs tors. theta energy: 7.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.365 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 19
Temperature: 0.900000
Total energy: -1154.098585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1154.098585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1154.098585 (E_RNA)
where:
Base-Base interactions energy: -796.460
where: short stacking energy: -336.851
Base-Backbone interact. energy: -1.075
local terms energy: -356.563045
where:
bonds (distance) C4'-P energy: -76.929
bonds (distance) P-C4' energy: -71.133
flat angles C4'-P-C4' energy: -79.556
flat angles P-C4'-P energy: -52.263
tors. eta vs tors. theta energy: -76.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 19
Temperature: 0.950000
Total energy: -1015.148568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1015.148568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1015.148568 (E_RNA)
where:
Base-Base interactions energy: -657.461
where: short stacking energy: -311.546
Base-Backbone interact. energy: -1.692
local terms energy: -355.995947
where:
bonds (distance) C4'-P energy: -77.757
bonds (distance) P-C4' energy: -66.846
flat angles C4'-P-C4' energy: -79.191
flat angles P-C4'-P energy: -51.303
tors. eta vs tors. theta energy: -80.899
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 19
Temperature: 1.000000
Total energy: -952.764440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -952.764440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -952.764440 (E_RNA)
where:
Base-Base interactions energy: -595.834
where: short stacking energy: -270.200
Base-Backbone interact. energy: -0.140
local terms energy: -356.790349
where:
bonds (distance) C4'-P energy: -63.388
bonds (distance) P-C4' energy: -79.723
flat angles C4'-P-C4' energy: -84.912
flat angles P-C4'-P energy: -60.418
tors. eta vs tors. theta energy: -68.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 19
Temperature: 1.050000
Total energy: -799.670449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -799.670449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -799.670449 (E_RNA)
where:
Base-Base interactions energy: -490.167
where: short stacking energy: -235.004
Base-Backbone interact. energy: -1.099
local terms energy: -308.404889
where:
bonds (distance) C4'-P energy: -73.936
bonds (distance) P-C4' energy: -79.034
flat angles C4'-P-C4' energy: -80.981
flat angles P-C4'-P energy: -36.694
tors. eta vs tors. theta energy: -37.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 19
Temperature: 1.100000
Total energy: -673.231574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -673.231574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -673.231574 (E_RNA)
where:
Base-Base interactions energy: -386.688
where: short stacking energy: -205.435
Base-Backbone interact. energy: -1.103
local terms energy: -285.439900
where:
bonds (distance) C4'-P energy: -72.292
bonds (distance) P-C4' energy: -69.347
flat angles C4'-P-C4' energy: -62.470
flat angles P-C4'-P energy: -38.522
tors. eta vs tors. theta energy: -42.809
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: 1
=====================================
Write number: 19
Temperature: 1.150000
Total energy: -786.460538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -786.460538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -786.460538 (E_RNA)
where:
Base-Base interactions energy: -488.001
where: short stacking energy: -260.771
Base-Backbone interact. energy: -1.341
local terms energy: -297.118573
where:
bonds (distance) C4'-P energy: -70.072
bonds (distance) P-C4' energy: -70.755
flat angles C4'-P-C4' energy: -60.151
flat angles P-C4'-P energy: -48.632
tors. eta vs tors. theta energy: -47.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 19
Temperature: 1.200000
Total energy: -593.864396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -593.864396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -593.864396 (E_RNA)
where:
Base-Base interactions energy: -335.013
where: short stacking energy: -169.850
Base-Backbone interact. energy: -1.062
local terms energy: -257.790272
where:
bonds (distance) C4'-P energy: -72.198
bonds (distance) P-C4' energy: -75.420
flat angles C4'-P-C4' energy: -68.283
flat angles P-C4'-P energy: -31.622
tors. eta vs tors. theta energy: -10.267
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: 6
=====================================
Write number: 19
Temperature: 1.250000
Total energy: -513.805057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.805057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.805057 (E_RNA)
where:
Base-Base interactions energy: -263.887
where: short stacking energy: -144.201
Base-Backbone interact. energy: 1.411
local terms energy: -251.328935
where:
bonds (distance) C4'-P energy: -57.831
bonds (distance) P-C4' energy: -72.494
flat angles C4'-P-C4' energy: -63.570
flat angles P-C4'-P energy: -45.903
tors. eta vs tors. theta energy: -11.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 19
Temperature: 1.300000
Total energy: -422.063083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.063083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.063083 (E_RNA)
where:
Base-Base interactions energy: -208.648
where: short stacking energy: -124.725
Base-Backbone interact. energy: -0.387
local terms energy: -213.027456
where:
bonds (distance) C4'-P energy: -53.638
bonds (distance) P-C4' energy: -70.201
flat angles C4'-P-C4' energy: -50.712
flat angles P-C4'-P energy: -26.949
tors. eta vs tors. theta energy: -11.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 19
Temperature: 1.350000
Total energy: -308.601149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.601149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.601149 (E_RNA)
where:
Base-Base interactions energy: -128.528
where: short stacking energy: -93.805
Base-Backbone interact. energy: 1.086
local terms energy: -181.980790
where:
bonds (distance) C4'-P energy: -63.716
bonds (distance) P-C4' energy: -72.585
flat angles C4'-P-C4' energy: -50.590
flat angles P-C4'-P energy: -17.002
tors. eta vs tors. theta energy: 21.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.822 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 20
Temperature: 0.900000
Total energy: -1188.468712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1188.468712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1188.468712 (E_RNA)
where:
Base-Base interactions energy: -810.949
where: short stacking energy: -355.722
Base-Backbone interact. energy: -2.841
local terms energy: -374.678659
where:
bonds (distance) C4'-P energy: -69.074
bonds (distance) P-C4' energy: -77.476
flat angles C4'-P-C4' energy: -81.472
flat angles P-C4'-P energy: -58.613
tors. eta vs tors. theta energy: -88.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 20
Temperature: 0.950000
Total energy: -1045.162359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1045.162359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1045.162359 (E_RNA)
where:
Base-Base interactions energy: -687.174
where: short stacking energy: -322.844
Base-Backbone interact. energy: 0.242
local terms energy: -358.230069
where:
bonds (distance) C4'-P energy: -73.858
bonds (distance) P-C4' energy: -78.004
flat angles C4'-P-C4' energy: -72.849
flat angles P-C4'-P energy: -59.471
tors. eta vs tors. theta energy: -74.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 20
Temperature: 1.000000
Total energy: -988.926413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -988.926413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -988.926413 (E_RNA)
where:
Base-Base interactions energy: -631.668
where: short stacking energy: -294.192
Base-Backbone interact. energy: -3.521
local terms energy: -353.736857
where:
bonds (distance) C4'-P energy: -66.502
bonds (distance) P-C4' energy: -72.769
flat angles C4'-P-C4' energy: -83.389
flat angles P-C4'-P energy: -57.418
tors. eta vs tors. theta energy: -73.660
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: 20
Temperature: 1.050000
Total energy: -786.914271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -786.914271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -786.914271 (E_RNA)
where:
Base-Base interactions energy: -462.757
where: short stacking energy: -234.998
Base-Backbone interact. energy: -0.104
local terms energy: -324.053236
where:
bonds (distance) C4'-P energy: -78.609
bonds (distance) P-C4' energy: -74.716
flat angles C4'-P-C4' energy: -74.192
flat angles P-C4'-P energy: -45.470
tors. eta vs tors. theta energy: -51.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 20
Temperature: 1.100000
Total energy: -792.675574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -792.675574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -792.675574 (E_RNA)
where:
Base-Base interactions energy: -485.461
where: short stacking energy: -242.169
Base-Backbone interact. energy: -0.076
local terms energy: -307.138757
where:
bonds (distance) C4'-P energy: -65.792
bonds (distance) P-C4' energy: -78.272
flat angles C4'-P-C4' energy: -81.541
flat angles P-C4'-P energy: -28.713
tors. eta vs tors. theta energy: -52.820
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: 2
=====================================
Write number: 20
Temperature: 1.150000
Total energy: -643.998980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -643.998980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -643.998980 (E_RNA)
where:
Base-Base interactions energy: -358.048
where: short stacking energy: -182.006
Base-Backbone interact. energy: -0.448
local terms energy: -285.502947
where:
bonds (distance) C4'-P energy: -63.784
bonds (distance) P-C4' energy: -75.009
flat angles C4'-P-C4' energy: -58.878
flat angles P-C4'-P energy: -55.859
tors. eta vs tors. theta energy: -31.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 20
Temperature: 1.200000
Total energy: -577.505109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -577.505109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -577.505109 (E_RNA)
where:
Base-Base interactions energy: -296.465
where: short stacking energy: -182.134
Base-Backbone interact. energy: -1.060
local terms energy: -279.980451
where:
bonds (distance) C4'-P energy: -70.030
bonds (distance) P-C4' energy: -69.476
flat angles C4'-P-C4' energy: -67.793
flat angles P-C4'-P energy: -35.962
tors. eta vs tors. theta energy: -36.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 20
Temperature: 1.250000
Total energy: -524.153226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.153226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.153226 (E_RNA)
where:
Base-Base interactions energy: -284.873
where: short stacking energy: -150.698
Base-Backbone interact. energy: 4.445
local terms energy: -243.725428
where:
bonds (distance) C4'-P energy: -61.965
bonds (distance) P-C4' energy: -67.572
flat angles C4'-P-C4' energy: -58.015
flat angles P-C4'-P energy: -44.750
tors. eta vs tors. theta energy: -11.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 20
Temperature: 1.300000
Total energy: -483.988805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.988805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.988805 (E_RNA)
where:
Base-Base interactions energy: -219.365
where: short stacking energy: -151.280
Base-Backbone interact. energy: -0.503
local terms energy: -264.120668
where:
bonds (distance) C4'-P energy: -69.228
bonds (distance) P-C4' energy: -68.339
flat angles C4'-P-C4' energy: -58.826
flat angles P-C4'-P energy: -44.138
tors. eta vs tors. theta energy: -23.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 20
Temperature: 1.350000
Total energy: -325.063921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.063921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.063921 (E_RNA)
where:
Base-Base interactions energy: -111.568
where: short stacking energy: -99.042
Base-Backbone interact. energy: 2.271
local terms energy: -215.766548
where:
bonds (distance) C4'-P energy: -66.870
bonds (distance) P-C4' energy: -60.940
flat angles C4'-P-C4' energy: -60.550
flat angles P-C4'-P energy: -31.287
tors. eta vs tors. theta energy: 3.881
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: 10
=====================================
Write number: 21
Temperature: 0.900000
Total energy: -1171.684359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1171.684359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1171.684359 (E_RNA)
where:
Base-Base interactions energy: -783.625
where: short stacking energy: -338.004
Base-Backbone interact. energy: -0.454
local terms energy: -387.605041
where:
bonds (distance) C4'-P energy: -77.132
bonds (distance) P-C4' energy: -76.118
flat angles C4'-P-C4' energy: -80.503
flat angles P-C4'-P energy: -62.198
tors. eta vs tors. theta energy: -91.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 21
Temperature: 0.950000
Total energy: -1039.623024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1039.623024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1039.623024 (E_RNA)
where:
Base-Base interactions energy: -669.046
where: short stacking energy: -310.049
Base-Backbone interact. energy: -2.025
local terms energy: -368.551613
where:
bonds (distance) C4'-P energy: -78.474
bonds (distance) P-C4' energy: -80.196
flat angles C4'-P-C4' energy: -88.666
flat angles P-C4'-P energy: -40.784
tors. eta vs tors. theta energy: -80.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 21
Temperature: 1.000000
Total energy: -975.337952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -975.337952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -975.337952 (E_RNA)
where:
Base-Base interactions energy: -635.063
where: short stacking energy: -283.976
Base-Backbone interact. energy: -0.365
local terms energy: -339.909673
where:
bonds (distance) C4'-P energy: -71.937
bonds (distance) P-C4' energy: -78.570
flat angles C4'-P-C4' energy: -73.838
flat angles P-C4'-P energy: -53.268
tors. eta vs tors. theta energy: -62.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 21
Temperature: 1.050000
Total energy: -798.281055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -798.281055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -798.281055 (E_RNA)
where:
Base-Base interactions energy: -467.277
where: short stacking energy: -259.724
Base-Backbone interact. energy: -0.845
local terms energy: -330.159471
where:
bonds (distance) C4'-P energy: -72.828
bonds (distance) P-C4' energy: -75.962
flat angles C4'-P-C4' energy: -74.620
flat angles P-C4'-P energy: -50.829
tors. eta vs tors. theta energy: -55.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 21
Temperature: 1.100000
Total energy: -796.507499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -796.507499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -796.507499 (E_RNA)
where:
Base-Base interactions energy: -486.960
where: short stacking energy: -255.465
Base-Backbone interact. energy: 1.908
local terms energy: -311.455588
where:
bonds (distance) C4'-P energy: -72.284
bonds (distance) P-C4' energy: -71.220
flat angles C4'-P-C4' energy: -76.034
flat angles P-C4'-P energy: -40.097
tors. eta vs tors. theta energy: -51.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 21
Temperature: 1.150000
Total energy: -692.116633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -692.116633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -692.116633 (E_RNA)
where:
Base-Base interactions energy: -406.709
where: short stacking energy: -205.179
Base-Backbone interact. energy: -0.245
local terms energy: -285.161767
where:
bonds (distance) C4'-P energy: -76.833
bonds (distance) P-C4' energy: -72.144
flat angles C4'-P-C4' energy: -65.868
flat angles P-C4'-P energy: -43.273
tors. eta vs tors. theta energy: -27.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 21
Temperature: 1.200000
Total energy: -566.314489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -566.314489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -566.314489 (E_RNA)
where:
Base-Base interactions energy: -296.742
where: short stacking energy: -173.373
Base-Backbone interact. energy: -1.161
local terms energy: -270.832184
where:
bonds (distance) C4'-P energy: -65.597
bonds (distance) P-C4' energy: -80.948
flat angles C4'-P-C4' energy: -61.323
flat angles P-C4'-P energy: -37.356
tors. eta vs tors. theta energy: -25.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 2.421 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 21
Temperature: 1.250000
Total energy: -457.902816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.902816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.902816 (E_RNA)
where:
Base-Base interactions energy: -232.998
where: short stacking energy: -129.748
Base-Backbone interact. energy: -0.671
local terms energy: -224.234134
where:
bonds (distance) C4'-P energy: -57.709
bonds (distance) P-C4' energy: -70.909
flat angles C4'-P-C4' energy: -54.672
flat angles P-C4'-P energy: -40.920
tors. eta vs tors. theta energy: -0.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 21
Temperature: 1.300000
Total energy: -501.709881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.709881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.709881 (E_RNA)
where:
Base-Base interactions energy: -275.444
where: short stacking energy: -159.550
Base-Backbone interact. energy: 3.792
local terms energy: -230.057707
where:
bonds (distance) C4'-P energy: -75.101
bonds (distance) P-C4' energy: -48.393
flat angles C4'-P-C4' energy: -49.934
flat angles P-C4'-P energy: -45.756
tors. eta vs tors. theta energy: -10.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 21
Temperature: 1.350000
Total energy: -322.090693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.090693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.090693 (E_RNA)
where:
Base-Base interactions energy: -113.417
where: short stacking energy: -105.407
Base-Backbone interact. energy: -0.176
local terms energy: -208.497340
where:
bonds (distance) C4'-P energy: -61.860
bonds (distance) P-C4' energy: -62.721
flat angles C4'-P-C4' energy: -57.081
flat angles P-C4'-P energy: -34.858
tors. eta vs tors. theta energy: 8.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 22
Temperature: 0.900000
Total energy: -1156.334829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1156.334829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1156.334829 (E_RNA)
where:
Base-Base interactions energy: -782.875
where: short stacking energy: -346.185
Base-Backbone interact. energy: -0.874
local terms energy: -372.586581
where:
bonds (distance) C4'-P energy: -66.707
bonds (distance) P-C4' energy: -76.847
flat angles C4'-P-C4' energy: -83.104
flat angles P-C4'-P energy: -63.058
tors. eta vs tors. theta energy: -82.869
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: 2, replica: 4
=====================================
Write number: 22
Temperature: 0.950000
Total energy: -1087.533717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1087.533717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1087.533717 (E_RNA)
where:
Base-Base interactions energy: -701.772
where: short stacking energy: -340.733
Base-Backbone interact. energy: 1.063
local terms energy: -386.824492
where:
bonds (distance) C4'-P energy: -72.477
bonds (distance) P-C4' energy: -83.991
flat angles C4'-P-C4' energy: -79.848
flat angles P-C4'-P energy: -65.494
tors. eta vs tors. theta energy: -85.015
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: 3, replica: 9
=====================================
Write number: 22
Temperature: 1.000000
Total energy: -965.103800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -965.103800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -965.103800 (E_RNA)
where:
Base-Base interactions energy: -628.121
where: short stacking energy: -294.288
Base-Backbone interact. energy: -0.586
local terms energy: -336.396417
where:
bonds (distance) C4'-P energy: -66.098
bonds (distance) P-C4' energy: -79.913
flat angles C4'-P-C4' energy: -76.886
flat angles P-C4'-P energy: -44.759
tors. eta vs tors. theta energy: -68.740
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: 4, replica: 3
=====================================
Write number: 22
Temperature: 1.050000
Total energy: -755.723148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -755.723148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -755.723148 (E_RNA)
where:
Base-Base interactions energy: -434.225
where: short stacking energy: -236.530
Base-Backbone interact. energy: -1.370
local terms energy: -320.127567
where:
bonds (distance) C4'-P energy: -76.338
bonds (distance) P-C4' energy: -77.297
flat angles C4'-P-C4' energy: -73.082
flat angles P-C4'-P energy: -47.332
tors. eta vs tors. theta energy: -46.078
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: 1
=====================================
Write number: 22
Temperature: 1.100000
Total energy: -856.689192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -856.689192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -856.689192 (E_RNA)
where:
Base-Base interactions energy: -534.877
where: short stacking energy: -280.827
Base-Backbone interact. energy: 6.317
local terms energy: -328.129218
where:
bonds (distance) C4'-P energy: -60.118
bonds (distance) P-C4' energy: -83.656
flat angles C4'-P-C4' energy: -73.200
flat angles P-C4'-P energy: -47.559
tors. eta vs tors. theta energy: -63.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 22
Temperature: 1.150000
Total energy: -605.293490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -605.293490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -605.293490 (E_RNA)
where:
Base-Base interactions energy: -320.518
where: short stacking energy: -176.901
Base-Backbone interact. energy: -1.543
local terms energy: -283.414777
where:
bonds (distance) C4'-P energy: -79.243
bonds (distance) P-C4' energy: -74.165
flat angles C4'-P-C4' energy: -64.410
flat angles P-C4'-P energy: -33.972
tors. eta vs tors. theta energy: -31.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.182 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 22
Temperature: 1.200000
Total energy: -592.755907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -592.755907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -592.755907 (E_RNA)
where:
Base-Base interactions energy: -327.954
where: short stacking energy: -178.841
Base-Backbone interact. energy: 0.835
local terms energy: -265.636557
where:
bonds (distance) C4'-P energy: -60.904
bonds (distance) P-C4' energy: -74.240
flat angles C4'-P-C4' energy: -60.179
flat angles P-C4'-P energy: -37.000
tors. eta vs tors. theta energy: -33.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 22
Temperature: 1.250000
Total energy: -535.768208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.768208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.768208 (E_RNA)
where:
Base-Base interactions energy: -279.560
where: short stacking energy: -128.621
Base-Backbone interact. energy: 3.915
local terms energy: -260.123767
where:
bonds (distance) C4'-P energy: -69.663
bonds (distance) P-C4' energy: -76.489
flat angles C4'-P-C4' energy: -61.027
flat angles P-C4'-P energy: -40.558
tors. eta vs tors. theta energy: -12.387
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: 6
=====================================
Write number: 22
Temperature: 1.300000
Total energy: -476.054001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.054001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.054001 (E_RNA)
where:
Base-Base interactions energy: -252.919
where: short stacking energy: -135.744
Base-Backbone interact. energy: 1.985
local terms energy: -225.119970
where:
bonds (distance) C4'-P energy: -62.631
bonds (distance) P-C4' energy: -64.779
flat angles C4'-P-C4' energy: -61.530
flat angles P-C4'-P energy: -43.276
tors. eta vs tors. theta energy: 7.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 22
Temperature: 1.350000
Total energy: -330.747687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.747687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.747687 (E_RNA)
where:
Base-Base interactions energy: -140.400
where: short stacking energy: -117.469
Base-Backbone interact. energy: 1.631
local terms energy: -192.157747
where:
bonds (distance) C4'-P energy: -54.999
bonds (distance) P-C4' energy: -62.269
flat angles C4'-P-C4' energy: -49.244
flat angles P-C4'-P energy: -25.964
tors. eta vs tors. theta energy: 0.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.179 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 23
Temperature: 0.900000
Total energy: -1162.444684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1162.444684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1162.444684 (E_RNA)
where:
Base-Base interactions energy: -774.437
where: short stacking energy: -340.013
Base-Backbone interact. energy: -1.672
local terms energy: -386.335515
where:
bonds (distance) C4'-P energy: -84.502
bonds (distance) P-C4' energy: -77.835
flat angles C4'-P-C4' energy: -77.586
flat angles P-C4'-P energy: -55.043
tors. eta vs tors. theta energy: -91.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 23
Temperature: 0.950000
Total energy: -1058.958609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1058.958609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1058.958609 (E_RNA)
where:
Base-Base interactions energy: -705.390
where: short stacking energy: -341.776
Base-Backbone interact. energy: 0.312
local terms energy: -353.881170
where:
bonds (distance) C4'-P energy: -65.264
bonds (distance) P-C4' energy: -68.762
flat angles C4'-P-C4' energy: -82.959
flat angles P-C4'-P energy: -54.917
tors. eta vs tors. theta energy: -81.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 23
Temperature: 1.000000
Total energy: -1002.932361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1002.932361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1002.932361 (E_RNA)
where:
Base-Base interactions energy: -667.673
where: short stacking energy: -272.476
Base-Backbone interact. energy: -2.679
local terms energy: -332.580000
where:
bonds (distance) C4'-P energy: -71.587
bonds (distance) P-C4' energy: -77.766
flat angles C4'-P-C4' energy: -75.954
flat angles P-C4'-P energy: -53.853
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: 4, replica: 1
=====================================
Write number: 23
Temperature: 1.050000
Total energy: -890.746390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -890.746390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -890.746390 (E_RNA)
where:
Base-Base interactions energy: -539.627
where: short stacking energy: -267.588
Base-Backbone interact. energy: -0.160
local terms energy: -350.959662
where:
bonds (distance) C4'-P energy: -77.938
bonds (distance) P-C4' energy: -76.039
flat angles C4'-P-C4' energy: -82.104
flat angles P-C4'-P energy: -48.212
tors. eta vs tors. theta energy: -66.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 23
Temperature: 1.100000
Total energy: -790.705485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -790.705485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -790.705485 (E_RNA)
where:
Base-Base interactions energy: -470.935
where: short stacking energy: -246.462
Base-Backbone interact. energy: -1.867
local terms energy: -317.903638
where:
bonds (distance) C4'-P energy: -65.243
bonds (distance) P-C4' energy: -78.306
flat angles C4'-P-C4' energy: -64.445
flat angles P-C4'-P energy: -52.497
tors. eta vs tors. theta energy: -57.413
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: 23
Temperature: 1.150000
Total energy: -724.202113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -724.202113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -724.202113 (E_RNA)
where:
Base-Base interactions energy: -425.590
where: short stacking energy: -183.989
Base-Backbone interact. energy: -2.257
local terms energy: -296.354978
where:
bonds (distance) C4'-P energy: -59.254
bonds (distance) P-C4' energy: -64.121
flat angles C4'-P-C4' energy: -83.465
flat angles P-C4'-P energy: -49.121
tors. eta vs tors. theta energy: -40.394
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: 7, replica: 2
=====================================
Write number: 23
Temperature: 1.200000
Total energy: -575.788137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -575.788137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -575.788137 (E_RNA)
where:
Base-Base interactions energy: -312.586
where: short stacking energy: -175.493
Base-Backbone interact. energy: -1.192
local terms energy: -262.010779
where:
bonds (distance) C4'-P energy: -69.787
bonds (distance) P-C4' energy: -63.619
flat angles C4'-P-C4' energy: -68.003
flat angles P-C4'-P energy: -42.403
tors. eta vs tors. theta energy: -18.199
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: 7
=====================================
Write number: 23
Temperature: 1.250000
Total energy: -531.823962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.823962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.823962 (E_RNA)
where:
Base-Base interactions energy: -296.726
where: short stacking energy: -149.658
Base-Backbone interact. energy: -0.502
local terms energy: -234.596395
where:
bonds (distance) C4'-P energy: -61.732
bonds (distance) P-C4' energy: -51.400
flat angles C4'-P-C4' energy: -64.772
flat angles P-C4'-P energy: -49.252
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: 9, replica: 6
=====================================
Write number: 23
Temperature: 1.300000
Total energy: -522.044535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.044535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.044535 (E_RNA)
where:
Base-Base interactions energy: -288.641
where: short stacking energy: -156.181
Base-Backbone interact. energy: 2.406
local terms energy: -235.809831
where:
bonds (distance) C4'-P energy: -56.861
bonds (distance) P-C4' energy: -67.730
flat angles C4'-P-C4' energy: -52.631
flat angles P-C4'-P energy: -43.032
tors. eta vs tors. theta energy: -15.556
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: 10, replica: 8
=====================================
Write number: 23
Temperature: 1.350000
Total energy: -315.755367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.755367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.755367 (E_RNA)
where:
Base-Base interactions energy: -122.296
where: short stacking energy: -94.193
Base-Backbone interact. energy: -0.842
local terms energy: -192.617115
where:
bonds (distance) C4'-P energy: -58.469
bonds (distance) P-C4' energy: -54.435
flat angles C4'-P-C4' energy: -49.967
flat angles P-C4'-P energy: -41.485
tors. eta vs tors. theta energy: 11.738
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: 10
=====================================
Write number: 24
Temperature: 0.900000
Total energy: -1173.163665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1173.163665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1173.163665 (E_RNA)
where:
Base-Base interactions energy: -790.843
where: short stacking energy: -349.382
Base-Backbone interact. energy: -2.188
local terms energy: -380.133135
where:
bonds (distance) C4'-P energy: -78.284
bonds (distance) P-C4' energy: -78.120
flat angles C4'-P-C4' energy: -81.512
flat angles P-C4'-P energy: -57.450
tors. eta vs tors. theta energy: -84.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 24
Temperature: 0.950000
Total energy: -1060.270495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1060.270495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1060.270495 (E_RNA)
where:
Base-Base interactions energy: -687.003
where: short stacking energy: -303.905
Base-Backbone interact. energy: -0.379
local terms energy: -372.888307
where:
bonds (distance) C4'-P energy: -60.504
bonds (distance) P-C4' energy: -77.341
flat angles C4'-P-C4' energy: -84.096
flat angles P-C4'-P energy: -64.287
tors. eta vs tors. theta energy: -86.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 24
Temperature: 1.000000
Total energy: -951.340761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -951.340761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -951.340761 (E_RNA)
where:
Base-Base interactions energy: -621.292
where: short stacking energy: -263.586
Base-Backbone interact. energy: 0.852
local terms energy: -330.900906
where:
bonds (distance) C4'-P energy: -80.250
bonds (distance) P-C4' energy: -69.650
flat angles C4'-P-C4' energy: -61.425
flat angles P-C4'-P energy: -59.407
tors. eta vs tors. theta energy: -60.169
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: 4, replica: 1
=====================================
Write number: 24
Temperature: 1.050000
Total energy: -900.968599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -900.968599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -900.968599 (E_RNA)
where:
Base-Base interactions energy: -572.021
where: short stacking energy: -301.501
Base-Backbone interact. energy: -0.124
local terms energy: -328.823961
where:
bonds (distance) C4'-P energy: -58.361
bonds (distance) P-C4' energy: -70.920
flat angles C4'-P-C4' energy: -79.392
flat angles P-C4'-P energy: -50.265
tors. eta vs tors. theta energy: -69.885
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: 3
=====================================
Write number: 24
Temperature: 1.100000
Total energy: -814.332061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -814.332061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -814.332061 (E_RNA)
where:
Base-Base interactions energy: -523.840
where: short stacking energy: -232.891
Base-Backbone interact. energy: 1.118
local terms energy: -291.609973
where:
bonds (distance) C4'-P energy: -63.922
bonds (distance) P-C4' energy: -69.251
flat angles C4'-P-C4' energy: -66.993
flat angles P-C4'-P energy: -41.591
tors. eta vs tors. theta energy: -49.852
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: 5
=====================================
Write number: 24
Temperature: 1.150000
Total energy: -673.500497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -673.500497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -673.500497 (E_RNA)
where:
Base-Base interactions energy: -371.655
where: short stacking energy: -219.265
Base-Backbone interact. energy: 0.485
local terms energy: -302.330933
where:
bonds (distance) C4'-P energy: -78.173
bonds (distance) P-C4' energy: -71.418
flat angles C4'-P-C4' energy: -71.596
flat angles P-C4'-P energy: -51.533
tors. eta vs tors. theta energy: -29.611
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: 7
=====================================
Write number: 24
Temperature: 1.200000
Total energy: -627.411484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -627.411484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -627.411484 (E_RNA)
where:
Base-Base interactions energy: -354.049
where: short stacking energy: -202.290
Base-Backbone interact. energy: 1.506
local terms energy: -274.868616
where:
bonds (distance) C4'-P energy: -62.347
bonds (distance) P-C4' energy: -73.047
flat angles C4'-P-C4' energy: -69.871
flat angles P-C4'-P energy: -28.313
tors. eta vs tors. theta energy: -41.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 24
Temperature: 1.250000
Total energy: -498.782988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.782988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.782988 (E_RNA)
where:
Base-Base interactions energy: -250.428
where: short stacking energy: -144.127
Base-Backbone interact. energy: -2.166
local terms energy: -246.188492
where:
bonds (distance) C4'-P energy: -61.731
bonds (distance) P-C4' energy: -74.089
flat angles C4'-P-C4' energy: -64.847
flat angles P-C4'-P energy: -40.065
tors. eta vs tors. theta energy: -5.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 24
Temperature: 1.300000
Total energy: -472.391603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.391603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.391603 (E_RNA)
where:
Base-Base interactions energy: -272.807
where: short stacking energy: -138.217
Base-Backbone interact. energy: 1.097
local terms energy: -200.681641
where:
bonds (distance) C4'-P energy: -54.864
bonds (distance) P-C4' energy: -66.563
flat angles C4'-P-C4' energy: -44.798
flat angles P-C4'-P energy: -25.498
tors. eta vs tors. theta energy: -8.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 24
Temperature: 1.350000
Total energy: -346.454134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.454134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.454134 (E_RNA)
where:
Base-Base interactions energy: -112.053
where: short stacking energy: -81.226
Base-Backbone interact. energy: 7.046
local terms energy: -241.446950
where:
bonds (distance) C4'-P energy: -75.490
bonds (distance) P-C4' energy: -70.786
flat angles C4'-P-C4' energy: -54.947
flat angles P-C4'-P energy: -45.824
tors. eta vs tors. theta energy: 5.599
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: 25
Temperature: 0.900000
Total energy: -1191.323427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1191.323427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1191.323427 (E_RNA)
where:
Base-Base interactions energy: -806.982
where: short stacking energy: -368.321
Base-Backbone interact. energy: -1.506
local terms energy: -382.836188
where:
bonds (distance) C4'-P energy: -69.506
bonds (distance) P-C4' energy: -81.657
flat angles C4'-P-C4' energy: -83.620
flat angles P-C4'-P energy: -55.055
tors. eta vs tors. theta energy: -92.998
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: 4
=====================================
Write number: 25
Temperature: 0.950000
Total energy: -1093.013543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1093.013543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1093.013543 (E_RNA)
where:
Base-Base interactions energy: -704.005
where: short stacking energy: -307.837
Base-Backbone interact. energy: -1.932
local terms energy: -387.076603
where:
bonds (distance) C4'-P energy: -74.099
bonds (distance) P-C4' energy: -87.101
flat angles C4'-P-C4' energy: -81.152
flat angles P-C4'-P energy: -54.889
tors. eta vs tors. theta energy: -89.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 25
Temperature: 1.000000
Total energy: -1046.058819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1046.058819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1046.058819 (E_RNA)
where:
Base-Base interactions energy: -683.862
where: short stacking energy: -304.040
Base-Backbone interact. energy: 2.160
local terms energy: -364.356892
where:
bonds (distance) C4'-P energy: -76.062
bonds (distance) P-C4' energy: -74.451
flat angles C4'-P-C4' energy: -76.103
flat angles P-C4'-P energy: -56.228
tors. eta vs tors. theta energy: -81.513
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: 1
=====================================
Write number: 25
Temperature: 1.050000
Total energy: -924.434634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -924.434634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -924.434634 (E_RNA)
where:
Base-Base interactions energy: -592.072
where: short stacking energy: -283.825
Base-Backbone interact. energy: -1.606
local terms energy: -330.756824
where:
bonds (distance) C4'-P energy: -69.393
bonds (distance) P-C4' energy: -74.767
flat angles C4'-P-C4' energy: -77.468
flat angles P-C4'-P energy: -37.109
tors. eta vs tors. theta energy: -72.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 25
Temperature: 1.100000
Total energy: -848.202256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -848.202256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -848.202256 (E_RNA)
where:
Base-Base interactions energy: -524.879
where: short stacking energy: -247.134
Base-Backbone interact. energy: -0.888
local terms energy: -322.435573
where:
bonds (distance) C4'-P energy: -71.503
bonds (distance) P-C4' energy: -77.667
flat angles C4'-P-C4' energy: -69.386
flat angles P-C4'-P energy: -57.042
tors. eta vs tors. theta energy: -46.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 25
Temperature: 1.150000
Total energy: -660.719639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -660.719639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -660.719639 (E_RNA)
where:
Base-Base interactions energy: -373.132
where: short stacking energy: -205.217
Base-Backbone interact. energy: 1.102
local terms energy: -288.689878
where:
bonds (distance) C4'-P energy: -62.742
bonds (distance) P-C4' energy: -70.583
flat angles C4'-P-C4' energy: -88.611
flat angles P-C4'-P energy: -41.734
tors. eta vs tors. theta energy: -25.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 25
Temperature: 1.200000
Total energy: -637.475972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -637.475972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -637.475972 (E_RNA)
where:
Base-Base interactions energy: -382.597
where: short stacking energy: -183.079
Base-Backbone interact. energy: -0.964
local terms energy: -253.915344
where:
bonds (distance) C4'-P energy: -60.005
bonds (distance) P-C4' energy: -68.518
flat angles C4'-P-C4' energy: -69.959
flat angles P-C4'-P energy: -28.068
tors. eta vs tors. theta energy: -27.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 25
Temperature: 1.250000
Total energy: -518.275446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.275446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.275446 (E_RNA)
where:
Base-Base interactions energy: -287.760
where: short stacking energy: -150.513
Base-Backbone interact. energy: -3.079
local terms energy: -227.436641
where:
bonds (distance) C4'-P energy: -60.267
bonds (distance) P-C4' energy: -79.033
flat angles C4'-P-C4' energy: -52.775
flat angles P-C4'-P energy: -32.079
tors. eta vs tors. theta energy: -3.283
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: 9, replica: 2
=====================================
Write number: 25
Temperature: 1.300000
Total energy: -443.180296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.180296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.180296 (E_RNA)
where:
Base-Base interactions energy: -193.899
where: short stacking energy: -122.244
Base-Backbone interact. energy: -4.239
local terms energy: -245.042832
where:
bonds (distance) C4'-P energy: -66.720
bonds (distance) P-C4' energy: -74.290
flat angles C4'-P-C4' energy: -59.392
flat angles P-C4'-P energy: -31.757
tors. eta vs tors. theta energy: -12.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 25
Temperature: 1.350000
Total energy: -314.508215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.508215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.508215 (E_RNA)
where:
Base-Base interactions energy: -112.476
where: short stacking energy: -91.069
Base-Backbone interact. energy: 0.676
local terms energy: -202.708322
where:
bonds (distance) C4'-P energy: -56.790
bonds (distance) P-C4' energy: -68.337
flat angles C4'-P-C4' energy: -67.780
flat angles P-C4'-P energy: -28.133
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: 1, replica: 10
=====================================
Write number: 26
Temperature: 0.900000
Total energy: -1202.045172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1202.045172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1202.045172 (E_RNA)
where:
Base-Base interactions energy: -829.141
where: short stacking energy: -334.671
Base-Backbone interact. energy: -2.016
local terms energy: -370.888043
where:
bonds (distance) C4'-P energy: -77.974
bonds (distance) P-C4' energy: -79.727
flat angles C4'-P-C4' energy: -78.732
flat angles P-C4'-P energy: -54.874
tors. eta vs tors. theta energy: -79.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 26
Temperature: 0.950000
Total energy: -1119.571826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1119.571826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1119.571826 (E_RNA)
where:
Base-Base interactions energy: -734.249
where: short stacking energy: -339.500
Base-Backbone interact. energy: 0.505
local terms energy: -385.827390
where:
bonds (distance) C4'-P energy: -72.061
bonds (distance) P-C4' energy: -87.293
flat angles C4'-P-C4' energy: -74.796
flat angles P-C4'-P energy: -54.213
tors. eta vs tors. theta energy: -97.465
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: 9
=====================================
Write number: 26
Temperature: 1.000000
Total energy: -1055.393350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1055.393350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1055.393350 (E_RNA)
where:
Base-Base interactions energy: -695.058
where: short stacking energy: -317.011
Base-Backbone interact. energy: -1.830
local terms energy: -358.505313
where:
bonds (distance) C4'-P energy: -72.739
bonds (distance) P-C4' energy: -72.182
flat angles C4'-P-C4' energy: -87.740
flat angles P-C4'-P energy: -45.624
tors. eta vs tors. theta energy: -80.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 26
Temperature: 1.050000
Total energy: -957.774505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -957.774505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -957.774505 (E_RNA)
where:
Base-Base interactions energy: -615.334
where: short stacking energy: -299.996
Base-Backbone interact. energy: -0.740
local terms energy: -341.700904
where:
bonds (distance) C4'-P energy: -61.048
bonds (distance) P-C4' energy: -72.227
flat angles C4'-P-C4' energy: -82.649
flat angles P-C4'-P energy: -49.364
tors. eta vs tors. theta energy: -76.413
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: 5, replica: 3
=====================================
Write number: 26
Temperature: 1.100000
Total energy: -890.609530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -890.609530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -890.609530 (E_RNA)
where:
Base-Base interactions energy: -567.454
where: short stacking energy: -267.404
Base-Backbone interact. energy: -1.133
local terms energy: -322.022250
where:
bonds (distance) C4'-P energy: -71.358
bonds (distance) P-C4' energy: -77.743
flat angles C4'-P-C4' energy: -75.621
flat angles P-C4'-P energy: -40.209
tors. eta vs tors. theta energy: -57.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 26
Temperature: 1.150000
Total energy: -685.467526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -685.467526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -685.467526 (E_RNA)
where:
Base-Base interactions energy: -399.243
where: short stacking energy: -222.798
Base-Backbone interact. energy: -0.866
local terms energy: -285.358434
where:
bonds (distance) C4'-P energy: -63.010
bonds (distance) P-C4' energy: -75.704
flat angles C4'-P-C4' energy: -65.574
flat angles P-C4'-P energy: -36.409
tors. eta vs tors. theta energy: -44.661
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: 5
=====================================
Write number: 26
Temperature: 1.200000
Total energy: -678.322232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -678.322232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -678.322232 (E_RNA)
where:
Base-Base interactions energy: -402.464
where: short stacking energy: -217.054
Base-Backbone interact. energy: -2.200
local terms energy: -273.658759
where:
bonds (distance) C4'-P energy: -51.332
bonds (distance) P-C4' energy: -78.047
flat angles C4'-P-C4' energy: -65.819
flat angles P-C4'-P energy: -38.147
tors. eta vs tors. theta energy: -40.315
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: 6
=====================================
Write number: 26
Temperature: 1.250000
Total energy: -521.059390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.059390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.059390 (E_RNA)
where:
Base-Base interactions energy: -270.028
where: short stacking energy: -167.036
Base-Backbone interact. energy: -3.002
local terms energy: -248.029599
where:
bonds (distance) C4'-P energy: -68.538
bonds (distance) P-C4' energy: -77.118
flat angles C4'-P-C4' energy: -57.012
flat angles P-C4'-P energy: -24.286
tors. eta vs tors. theta energy: -21.075
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: 2
=====================================
Write number: 26
Temperature: 1.300000
Total energy: -420.240666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.240666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.240666 (E_RNA)
where:
Base-Base interactions energy: -191.188
where: short stacking energy: -101.435
Base-Backbone interact. energy: 1.681
local terms energy: -230.734252
where:
bonds (distance) C4'-P energy: -52.842
bonds (distance) P-C4' energy: -74.509
flat angles C4'-P-C4' energy: -60.368
flat angles P-C4'-P energy: -50.067
tors. eta vs tors. theta energy: 7.053
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: 8
=====================================
Write number: 26
Temperature: 1.350000
Total energy: -308.495397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.495397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.495397 (E_RNA)
where:
Base-Base interactions energy: -108.601
where: short stacking energy: -69.437
Base-Backbone interact. energy: -0.436
local terms energy: -200.401766
where:
bonds (distance) C4'-P energy: -70.779
bonds (distance) P-C4' energy: -51.401
flat angles C4'-P-C4' energy: -63.064
flat angles P-C4'-P energy: -29.862
tors. eta vs tors. theta energy: 14.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.943 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 27
Temperature: 0.900000
Total energy: -1213.895433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1213.895433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1213.895433 (E_RNA)
where:
Base-Base interactions energy: -828.468
where: short stacking energy: -355.216
Base-Backbone interact. energy: -1.203
local terms energy: -384.223888
where:
bonds (distance) C4'-P energy: -81.831
bonds (distance) P-C4' energy: -79.134
flat angles C4'-P-C4' energy: -78.766
flat angles P-C4'-P energy: -59.854
tors. eta vs tors. theta energy: -84.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 27
Temperature: 0.950000
Total energy: -1108.101031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1108.101031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1108.101031 (E_RNA)
where:
Base-Base interactions energy: -723.715
where: short stacking energy: -341.448
Base-Backbone interact. energy: -2.549
local terms energy: -381.836792
where:
bonds (distance) C4'-P energy: -79.942
bonds (distance) P-C4' energy: -85.024
flat angles C4'-P-C4' energy: -69.710
flat angles P-C4'-P energy: -59.573
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: 3, replica: 9
=====================================
Write number: 27
Temperature: 1.000000
Total energy: -1045.796532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1045.796532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1045.796532 (E_RNA)
where:
Base-Base interactions energy: -700.687
where: short stacking energy: -297.248
Base-Backbone interact. energy: -1.394
local terms energy: -343.714856
where:
bonds (distance) C4'-P energy: -80.315
bonds (distance) P-C4' energy: -70.891
flat angles C4'-P-C4' energy: -78.327
flat angles P-C4'-P energy: -50.865
tors. eta vs tors. theta energy: -63.316
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: 3
=====================================
Write number: 27
Temperature: 1.050000
Total energy: -910.351441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -910.351441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -910.351441 (E_RNA)
where:
Base-Base interactions energy: -593.474
where: short stacking energy: -279.908
Base-Backbone interact. energy: -1.521
local terms energy: -315.356758
where:
bonds (distance) C4'-P energy: -64.273
bonds (distance) P-C4' energy: -66.368
flat angles C4'-P-C4' energy: -74.032
flat angles P-C4'-P energy: -47.735
tors. eta vs tors. theta energy: -62.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 27
Temperature: 1.100000
Total energy: -927.371387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -927.371387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -927.371387 (E_RNA)
where:
Base-Base interactions energy: -596.120
where: short stacking energy: -273.774
Base-Backbone interact. energy: -3.194
local terms energy: -328.057665
where:
bonds (distance) C4'-P energy: -69.774
bonds (distance) P-C4' energy: -64.640
flat angles C4'-P-C4' energy: -82.302
flat angles P-C4'-P energy: -50.437
tors. eta vs tors. theta energy: -60.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 27
Temperature: 1.150000
Total energy: -741.336815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -741.336815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -741.336815 (E_RNA)
where:
Base-Base interactions energy: -451.940
where: short stacking energy: -234.152
Base-Backbone interact. energy: -1.953
local terms energy: -287.444680
where:
bonds (distance) C4'-P energy: -65.692
bonds (distance) P-C4' energy: -67.768
flat angles C4'-P-C4' energy: -67.185
flat angles P-C4'-P energy: -43.108
tors. eta vs tors. theta energy: -43.692
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: 27
Temperature: 1.200000
Total energy: -707.703482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -707.703482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -707.703482 (E_RNA)
where:
Base-Base interactions energy: -420.810
where: short stacking energy: -209.389
Base-Backbone interact. energy: -0.151
local terms energy: -286.743145
where:
bonds (distance) C4'-P energy: -62.546
bonds (distance) P-C4' energy: -62.128
flat angles C4'-P-C4' energy: -74.310
flat angles P-C4'-P energy: -46.897
tors. eta vs tors. theta energy: -40.863
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: 6
=====================================
Write number: 27
Temperature: 1.250000
Total energy: -501.066069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.066069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.066069 (E_RNA)
where:
Base-Base interactions energy: -273.209
where: short stacking energy: -152.424
Base-Backbone interact. energy: 0.936
local terms energy: -228.792694
where:
bonds (distance) C4'-P energy: -48.783
bonds (distance) P-C4' energy: -61.524
flat angles C4'-P-C4' energy: -63.478
flat angles P-C4'-P energy: -44.818
tors. eta vs tors. theta energy: -10.190
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: 2
=====================================
Write number: 27
Temperature: 1.300000
Total energy: -446.269891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.269891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.269891 (E_RNA)
where:
Base-Base interactions energy: -202.962
where: short stacking energy: -131.816
Base-Backbone interact. energy: -1.354
local terms energy: -241.954022
where:
bonds (distance) C4'-P energy: -62.839
bonds (distance) P-C4' energy: -67.650
flat angles C4'-P-C4' energy: -67.491
flat angles P-C4'-P energy: -21.182
tors. eta vs tors. theta energy: -22.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 27
Temperature: 1.350000
Total energy: -332.517817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.517817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.517817 (E_RNA)
where:
Base-Base interactions energy: -121.980
where: short stacking energy: -103.259
Base-Backbone interact. energy: -0.864
local terms energy: -209.674082
where:
bonds (distance) C4'-P energy: -68.001
bonds (distance) P-C4' energy: -58.322
flat angles C4'-P-C4' energy: -55.529
flat angles P-C4'-P energy: -36.410
tors. eta vs tors. theta energy: 8.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 28
Temperature: 0.900000
Total energy: -1191.696827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1191.696827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1191.696827 (E_RNA)
where:
Base-Base interactions energy: -815.369
where: short stacking energy: -358.820
Base-Backbone interact. energy: -1.732
local terms energy: -374.595561
where:
bonds (distance) C4'-P energy: -72.785
bonds (distance) P-C4' energy: -79.550
flat angles C4'-P-C4' energy: -75.061
flat angles P-C4'-P energy: -55.479
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: 2, replica: 4
=====================================
Write number: 28
Temperature: 0.950000
Total energy: -1090.442448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1090.442448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1090.442448 (E_RNA)
where:
Base-Base interactions energy: -723.694
where: short stacking energy: -335.383
Base-Backbone interact. energy: -0.927
local terms energy: -365.821632
where:
bonds (distance) C4'-P energy: -70.039
bonds (distance) P-C4' energy: -69.649
flat angles C4'-P-C4' energy: -81.359
flat angles P-C4'-P energy: -63.277
tors. eta vs tors. theta energy: -81.497
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: 3, replica: 9
=====================================
Write number: 28
Temperature: 1.000000
Total energy: -1058.080727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1058.080727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1058.080727 (E_RNA)
where:
Base-Base interactions energy: -689.056
where: short stacking energy: -310.054
Base-Backbone interact. energy: -2.397
local terms energy: -366.626888
where:
bonds (distance) C4'-P energy: -74.306
bonds (distance) P-C4' energy: -77.895
flat angles C4'-P-C4' energy: -78.950
flat angles P-C4'-P energy: -61.684
tors. eta vs tors. theta energy: -73.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 28
Temperature: 1.050000
Total energy: -907.747333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -907.747333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -907.747333 (E_RNA)
where:
Base-Base interactions energy: -578.066
where: short stacking energy: -252.915
Base-Backbone interact. energy: -1.184
local terms energy: -328.498068
where:
bonds (distance) C4'-P energy: -72.540
bonds (distance) P-C4' energy: -75.722
flat angles C4'-P-C4' energy: -70.987
flat angles P-C4'-P energy: -48.713
tors. eta vs tors. theta energy: -60.536
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: 5, replica: 1
=====================================
Write number: 28
Temperature: 1.100000
Total energy: -942.541452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -942.541452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -942.541452 (E_RNA)
where:
Base-Base interactions energy: -589.026
where: short stacking energy: -274.360
Base-Backbone interact. energy: -0.589
local terms energy: -352.926586
where:
bonds (distance) C4'-P energy: -76.049
bonds (distance) P-C4' energy: -78.332
flat angles C4'-P-C4' energy: -79.498
flat angles P-C4'-P energy: -45.488
tors. eta vs tors. theta energy: -73.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 28
Temperature: 1.150000
Total energy: -748.213129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -748.213129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -748.213129 (E_RNA)
where:
Base-Base interactions energy: -457.255
where: short stacking energy: -216.885
Base-Backbone interact. energy: -1.517
local terms energy: -289.441475
where:
bonds (distance) C4'-P energy: -68.212
bonds (distance) P-C4' energy: -62.573
flat angles C4'-P-C4' energy: -72.014
flat angles P-C4'-P energy: -45.936
tors. eta vs tors. theta energy: -40.706
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: 7
=====================================
Write number: 28
Temperature: 1.200000
Total energy: -689.187394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -689.187394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -689.187394 (E_RNA)
where:
Base-Base interactions energy: -399.790
where: short stacking energy: -203.119
Base-Backbone interact. energy: -0.371
local terms energy: -289.026770
where:
bonds (distance) C4'-P energy: -64.448
bonds (distance) P-C4' energy: -68.311
flat angles C4'-P-C4' energy: -69.642
flat angles P-C4'-P energy: -42.987
tors. eta vs tors. theta energy: -43.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 28
Temperature: 1.250000
Total energy: -507.940860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.940860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.940860 (E_RNA)
where:
Base-Base interactions energy: -277.428
where: short stacking energy: -160.291
Base-Backbone interact. energy: -1.517
local terms energy: -228.995815
where:
bonds (distance) C4'-P energy: -53.954
bonds (distance) P-C4' energy: -72.340
flat angles C4'-P-C4' energy: -48.192
flat angles P-C4'-P energy: -31.830
tors. eta vs tors. theta energy: -22.679
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: 2
=====================================
Write number: 28
Temperature: 1.300000
Total energy: -426.197341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.197341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.197341 (E_RNA)
where:
Base-Base interactions energy: -204.072
where: short stacking energy: -130.713
Base-Backbone interact. energy: 1.099
local terms energy: -223.224391
where:
bonds (distance) C4'-P energy: -47.890
bonds (distance) P-C4' energy: -76.010
flat angles C4'-P-C4' energy: -57.766
flat angles P-C4'-P energy: -35.586
tors. eta vs tors. theta energy: -5.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 28
Temperature: 1.350000
Total energy: -333.701739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.701739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.701739 (E_RNA)
where:
Base-Base interactions energy: -122.834
where: short stacking energy: -93.647
Base-Backbone interact. energy: 0.088
local terms energy: -210.955716
where:
bonds (distance) C4'-P energy: -64.195
bonds (distance) P-C4' energy: -62.168
flat angles C4'-P-C4' energy: -70.298
flat angles P-C4'-P energy: -21.690
tors. eta vs tors. theta energy: 7.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 29
Temperature: 0.900000
Total energy: -1205.276736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1205.276736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1205.276736 (E_RNA)
where:
Base-Base interactions energy: -811.719
where: short stacking energy: -343.796
Base-Backbone interact. energy: -0.831
local terms energy: -392.727088
where:
bonds (distance) C4'-P energy: -74.141
bonds (distance) P-C4' energy: -79.632
flat angles C4'-P-C4' energy: -80.925
flat angles P-C4'-P energy: -63.209
tors. eta vs tors. theta energy: -94.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 29
Temperature: 0.950000
Total energy: -1086.665152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1086.665152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1086.665152 (E_RNA)
where:
Base-Base interactions energy: -724.737
where: short stacking energy: -325.869
Base-Backbone interact. energy: -1.106
local terms energy: -360.822449
where:
bonds (distance) C4'-P energy: -80.830
bonds (distance) P-C4' energy: -77.909
flat angles C4'-P-C4' energy: -68.733
flat angles P-C4'-P energy: -52.145
tors. eta vs tors. theta energy: -81.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 29
Temperature: 1.000000
Total energy: -1046.964405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1046.964405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1046.964405 (E_RNA)
where:
Base-Base interactions energy: -716.365
where: short stacking energy: -323.570
Base-Backbone interact. energy: 1.145
local terms energy: -331.744462
where:
bonds (distance) C4'-P energy: -61.079
bonds (distance) P-C4' energy: -70.026
flat angles C4'-P-C4' energy: -80.274
flat angles P-C4'-P energy: -39.845
tors. eta vs tors. theta energy: -80.520
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: 1
=====================================
Write number: 29
Temperature: 1.050000
Total energy: -982.925858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -982.925858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -982.925858 (E_RNA)
where:
Base-Base interactions energy: -613.851
where: short stacking energy: -310.549
Base-Backbone interact. energy: -0.426
local terms energy: -368.649003
where:
bonds (distance) C4'-P energy: -79.215
bonds (distance) P-C4' energy: -81.571
flat angles C4'-P-C4' energy: -83.123
flat angles P-C4'-P energy: -49.824
tors. eta vs tors. theta energy: -74.916
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: 3
=====================================
Write number: 29
Temperature: 1.100000
Total energy: -866.433274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -866.433274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -866.433274 (E_RNA)
where:
Base-Base interactions energy: -543.843
where: short stacking energy: -241.857
Base-Backbone interact. energy: -0.366
local terms energy: -322.224749
where:
bonds (distance) C4'-P energy: -77.686
bonds (distance) P-C4' energy: -79.628
flat angles C4'-P-C4' energy: -76.777
flat angles P-C4'-P energy: -43.055
tors. eta vs tors. theta energy: -45.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 29
Temperature: 1.150000
Total energy: -739.883370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -739.883370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -739.883370 (E_RNA)
where:
Base-Base interactions energy: -434.185
where: short stacking energy: -224.189
Base-Backbone interact. energy: -1.669
local terms energy: -304.030222
where:
bonds (distance) C4'-P energy: -61.955
bonds (distance) P-C4' energy: -78.282
flat angles C4'-P-C4' energy: -66.915
flat angles P-C4'-P energy: -49.553
tors. eta vs tors. theta energy: -47.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 29
Temperature: 1.200000
Total energy: -660.201759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -660.201759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -660.201759 (E_RNA)
where:
Base-Base interactions energy: -409.291
where: short stacking energy: -218.378
Base-Backbone interact. energy: -1.104
local terms energy: -249.807348
where:
bonds (distance) C4'-P energy: -54.700
bonds (distance) P-C4' energy: -45.641
flat angles C4'-P-C4' energy: -73.209
flat angles P-C4'-P energy: -45.463
tors. eta vs tors. theta energy: -30.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 29
Temperature: 1.250000
Total energy: -488.266589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.266589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.266589 (E_RNA)
where:
Base-Base interactions energy: -243.513
where: short stacking energy: -169.644
Base-Backbone interact. energy: -0.365
local terms energy: -244.388557
where:
bonds (distance) C4'-P energy: -59.897
bonds (distance) P-C4' energy: -77.770
flat angles C4'-P-C4' energy: -61.183
flat angles P-C4'-P energy: -30.228
tors. eta vs tors. theta energy: -15.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 29
Temperature: 1.300000
Total energy: -413.278396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.278396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.278396 (E_RNA)
where:
Base-Base interactions energy: -201.099
where: short stacking energy: -119.389
Base-Backbone interact. energy: 0.387
local terms energy: -212.566088
where:
bonds (distance) C4'-P energy: -52.117
bonds (distance) P-C4' energy: -68.145
flat angles C4'-P-C4' energy: -54.721
flat angles P-C4'-P energy: -42.512
tors. eta vs tors. theta energy: 4.929
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: 8
=====================================
Write number: 29
Temperature: 1.350000
Total energy: -319.151904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.151904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.151904 (E_RNA)
where:
Base-Base interactions energy: -101.037
where: short stacking energy: -87.181
Base-Backbone interact. energy: -4.570
local terms energy: -213.544879
where:
bonds (distance) C4'-P energy: -66.243
bonds (distance) P-C4' energy: -61.036
flat angles C4'-P-C4' energy: -54.859
flat angles P-C4'-P energy: -36.689
tors. eta vs tors. theta energy: 5.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 30
Temperature: 0.900000
Total energy: -1213.170738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1213.170738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1213.170738 (E_RNA)
where:
Base-Base interactions energy: -811.890
where: short stacking energy: -349.168
Base-Backbone interact. energy: -2.534
local terms energy: -398.747419
where:
bonds (distance) C4'-P energy: -86.568
bonds (distance) P-C4' energy: -75.445
flat angles C4'-P-C4' energy: -89.311
flat angles P-C4'-P energy: -54.499
tors. eta vs tors. theta energy: -92.925
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: 4
=====================================
Write number: 30
Temperature: 0.950000
Total energy: -1086.914002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1086.914002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1086.914002 (E_RNA)
where:
Base-Base interactions energy: -735.894
where: short stacking energy: -323.240
Base-Backbone interact. energy: -0.455
local terms energy: -350.564715
where:
bonds (distance) C4'-P energy: -74.036
bonds (distance) P-C4' energy: -71.250
flat angles C4'-P-C4' energy: -83.296
flat angles P-C4'-P energy: -46.170
tors. eta vs tors. theta energy: -75.812
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: 9
=====================================
Write number: 30
Temperature: 1.000000
Total energy: -1092.153819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1092.153819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1092.153819 (E_RNA)
where:
Base-Base interactions energy: -735.379
where: short stacking energy: -310.017
Base-Backbone interact. energy: -1.891
local terms energy: -354.883547
where:
bonds (distance) C4'-P energy: -67.660
bonds (distance) P-C4' energy: -76.104
flat angles C4'-P-C4' energy: -74.722
flat angles P-C4'-P energy: -57.835
tors. eta vs tors. theta energy: -78.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 30
Temperature: 1.050000
Total energy: -991.051662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -991.051662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -991.051662 (E_RNA)
where:
Base-Base interactions energy: -643.077
where: short stacking energy: -319.093
Base-Backbone interact. energy: -0.814
local terms energy: -347.161049
where:
bonds (distance) C4'-P energy: -65.731
bonds (distance) P-C4' energy: -69.929
flat angles C4'-P-C4' energy: -79.324
flat angles P-C4'-P energy: -51.772
tors. eta vs tors. theta energy: -80.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 30
Temperature: 1.100000
Total energy: -881.994516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -881.994516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -881.994516 (E_RNA)
where:
Base-Base interactions energy: -570.640
where: short stacking energy: -251.975
Base-Backbone interact. energy: 2.065
local terms energy: -313.419016
where:
bonds (distance) C4'-P energy: -67.654
bonds (distance) P-C4' energy: -73.275
flat angles C4'-P-C4' energy: -77.068
flat angles P-C4'-P energy: -40.372
tors. eta vs tors. theta energy: -55.051
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: 6, replica: 5
=====================================
Write number: 30
Temperature: 1.150000
Total energy: -724.983302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -724.983302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -724.983302 (E_RNA)
where:
Base-Base interactions energy: -434.377
where: short stacking energy: -198.409
Base-Backbone interact. energy: 0.500
local terms energy: -291.106850
where:
bonds (distance) C4'-P energy: -71.988
bonds (distance) P-C4' energy: -67.037
flat angles C4'-P-C4' energy: -80.004
flat angles P-C4'-P energy: -37.631
tors. eta vs tors. theta energy: -34.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 30
Temperature: 1.200000
Total energy: -720.095946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -720.095946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -720.095946 (E_RNA)
where:
Base-Base interactions energy: -439.056
where: short stacking energy: -202.286
Base-Backbone interact. energy: -2.412
local terms energy: -278.628498
where:
bonds (distance) C4'-P energy: -68.124
bonds (distance) P-C4' energy: -66.531
flat angles C4'-P-C4' energy: -63.567
flat angles P-C4'-P energy: -41.674
tors. eta vs tors. theta energy: -38.732
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: 2
=====================================
Write number: 30
Temperature: 1.250000
Total energy: -524.342418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.342418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.342418 (E_RNA)
where:
Base-Base interactions energy: -291.706
where: short stacking energy: -145.921
Base-Backbone interact. energy: -1.576
local terms energy: -231.060392
where:
bonds (distance) C4'-P energy: -52.438
bonds (distance) P-C4' energy: -68.167
flat angles C4'-P-C4' energy: -52.211
flat angles P-C4'-P energy: -38.536
tors. eta vs tors. theta energy: -19.708
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: 6
=====================================
Write number: 30
Temperature: 1.300000
Total energy: -427.266924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.266924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.266924 (E_RNA)
where:
Base-Base interactions energy: -205.895
where: short stacking energy: -128.663
Base-Backbone interact. energy: 2.081
local terms energy: -223.453144
where:
bonds (distance) C4'-P energy: -73.676
bonds (distance) P-C4' energy: -74.130
flat angles C4'-P-C4' energy: -56.310
flat angles P-C4'-P energy: -29.389
tors. eta vs tors. theta energy: 10.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 30
Temperature: 1.350000
Total energy: -326.814618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.814618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.814618 (E_RNA)
where:
Base-Base interactions energy: -116.744
where: short stacking energy: -83.923
Base-Backbone interact. energy: -1.665
local terms energy: -208.406197
where:
bonds (distance) C4'-P energy: -69.622
bonds (distance) P-C4' energy: -63.928
flat angles C4'-P-C4' energy: -42.274
flat angles P-C4'-P energy: -42.590
tors. eta vs tors. theta energy: 10.009
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: 10
=====================================
Write number: 31
Temperature: 0.900000
Total energy: -1203.646969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1203.646969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1203.646969 (E_RNA)
where:
Base-Base interactions energy: -801.341
where: short stacking energy: -360.398
Base-Backbone interact. energy: 1.971
local terms energy: -404.276849
where:
bonds (distance) C4'-P energy: -75.025
bonds (distance) P-C4' energy: -83.819
flat angles C4'-P-C4' energy: -88.615
flat angles P-C4'-P energy: -64.063
tors. eta vs tors. theta energy: -92.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 31
Temperature: 0.950000
Total energy: -1143.020072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1143.020072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1143.020072 (E_RNA)
where:
Base-Base interactions energy: -757.010
where: short stacking energy: -345.959
Base-Backbone interact. energy: -2.045
local terms energy: -383.965162
where:
bonds (distance) C4'-P energy: -67.371
bonds (distance) P-C4' energy: -78.095
flat angles C4'-P-C4' energy: -85.357
flat angles P-C4'-P energy: -62.132
tors. eta vs tors. theta energy: -91.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 31
Temperature: 1.000000
Total energy: -1083.272165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1083.272165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1083.272165 (E_RNA)
where:
Base-Base interactions energy: -707.850
where: short stacking energy: -303.244
Base-Backbone interact. energy: -1.293
local terms energy: -374.129371
where:
bonds (distance) C4'-P energy: -75.735
bonds (distance) P-C4' energy: -83.184
flat angles C4'-P-C4' energy: -83.306
flat angles P-C4'-P energy: -52.319
tors. eta vs tors. theta energy: -79.586
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: 1
=====================================
Write number: 31
Temperature: 1.050000
Total energy: -1050.498875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1050.498875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1050.498875 (E_RNA)
where:
Base-Base interactions energy: -692.347
where: short stacking energy: -310.996
Base-Backbone interact. energy: 0.855
local terms energy: -359.006766
where:
bonds (distance) C4'-P energy: -59.603
bonds (distance) P-C4' energy: -82.652
flat angles C4'-P-C4' energy: -76.988
flat angles P-C4'-P energy: -53.473
tors. eta vs tors. theta energy: -86.292
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: 3
=====================================
Write number: 31
Temperature: 1.100000
Total energy: -875.398092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -875.398092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -875.398092 (E_RNA)
where:
Base-Base interactions energy: -559.237
where: short stacking energy: -261.618
Base-Backbone interact. energy: -1.942
local terms energy: -314.219089
where:
bonds (distance) C4'-P energy: -49.639
bonds (distance) P-C4' energy: -70.551
flat angles C4'-P-C4' energy: -72.287
flat angles P-C4'-P energy: -53.402
tors. eta vs tors. theta energy: -68.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 31
Temperature: 1.150000
Total energy: -742.310482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -742.310482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -742.310482 (E_RNA)
where:
Base-Base interactions energy: -452.762
where: short stacking energy: -215.024
Base-Backbone interact. energy: 1.152
local terms energy: -290.701199
where:
bonds (distance) C4'-P energy: -68.010
bonds (distance) P-C4' energy: -66.971
flat angles C4'-P-C4' energy: -74.393
flat angles P-C4'-P energy: -35.050
tors. eta vs tors. theta energy: -46.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 31
Temperature: 1.200000
Total energy: -651.742125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -651.742125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -651.742125 (E_RNA)
where:
Base-Base interactions energy: -366.765
where: short stacking energy: -185.230
Base-Backbone interact. energy: -0.396
local terms energy: -284.581975
where:
bonds (distance) C4'-P energy: -73.664
bonds (distance) P-C4' energy: -79.720
flat angles C4'-P-C4' energy: -65.992
flat angles P-C4'-P energy: -41.246
tors. eta vs tors. theta energy: -23.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 31
Temperature: 1.250000
Total energy: -481.450483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.450483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.450483 (E_RNA)
where:
Base-Base interactions energy: -207.672
where: short stacking energy: -147.165
Base-Backbone interact. energy: 0.269
local terms energy: -274.047546
where:
bonds (distance) C4'-P energy: -65.110
bonds (distance) P-C4' energy: -80.441
flat angles C4'-P-C4' energy: -66.087
flat angles P-C4'-P energy: -44.031
tors. eta vs tors. theta energy: -18.378
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: 6
=====================================
Write number: 31
Temperature: 1.300000
Total energy: -410.152869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.152869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.152869 (E_RNA)
where:
Base-Base interactions energy: -193.161
where: short stacking energy: -106.592
Base-Backbone interact. energy: -0.833
local terms energy: -216.159794
where:
bonds (distance) C4'-P energy: -57.350
bonds (distance) P-C4' energy: -70.913
flat angles C4'-P-C4' energy: -61.073
flat angles P-C4'-P energy: -36.724
tors. eta vs tors. theta energy: 9.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 31
Temperature: 1.350000
Total energy: -369.985951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.985951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.985951 (E_RNA)
where:
Base-Base interactions energy: -161.094
where: short stacking energy: -82.067
Base-Backbone interact. energy: 0.961
local terms energy: -209.853015
where:
bonds (distance) C4'-P energy: -52.248
bonds (distance) P-C4' energy: -76.867
flat angles C4'-P-C4' energy: -61.115
flat angles P-C4'-P energy: -35.207
tors. eta vs tors. theta energy: 15.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 32
Temperature: 0.900000
Total energy: -1211.764262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1211.764262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1211.764262 (E_RNA)
where:
Base-Base interactions energy: -824.381
where: short stacking energy: -365.294
Base-Backbone interact. energy: -1.172
local terms energy: -386.211392
where:
bonds (distance) C4'-P energy: -84.154
bonds (distance) P-C4' energy: -80.103
flat angles C4'-P-C4' energy: -84.860
flat angles P-C4'-P energy: -52.490
tors. eta vs tors. theta energy: -84.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 32
Temperature: 0.950000
Total energy: -1152.767459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1152.767459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1152.767459 (E_RNA)
where:
Base-Base interactions energy: -768.660
where: short stacking energy: -354.284
Base-Backbone interact. energy: -3.094
local terms energy: -381.012952
where:
bonds (distance) C4'-P energy: -76.665
bonds (distance) P-C4' energy: -68.565
flat angles C4'-P-C4' energy: -85.941
flat angles P-C4'-P energy: -59.445
tors. eta vs tors. theta energy: -90.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 32
Temperature: 1.000000
Total energy: -1061.286323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1061.286323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1061.286323 (E_RNA)
where:
Base-Base interactions energy: -710.025
where: short stacking energy: -296.075
Base-Backbone interact. energy: -0.141
local terms energy: -351.120809
where:
bonds (distance) C4'-P energy: -61.090
bonds (distance) P-C4' energy: -68.167
flat angles C4'-P-C4' energy: -77.844
flat angles P-C4'-P energy: -61.067
tors. eta vs tors. theta energy: -82.953
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: 4, replica: 1
=====================================
Write number: 32
Temperature: 1.050000
Total energy: -1046.841186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1046.841186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1046.841186 (E_RNA)
where:
Base-Base interactions energy: -692.692
where: short stacking energy: -318.007
Base-Backbone interact. energy: -0.942
local terms energy: -353.207228
where:
bonds (distance) C4'-P energy: -72.922
bonds (distance) P-C4' energy: -70.327
flat angles C4'-P-C4' energy: -75.061
flat angles P-C4'-P energy: -47.752
tors. eta vs tors. theta energy: -87.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 32
Temperature: 1.100000
Total energy: -876.979853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -876.979853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -876.979853 (E_RNA)
where:
Base-Base interactions energy: -546.386
where: short stacking energy: -252.286
Base-Backbone interact. energy: -0.740
local terms energy: -329.854159
where:
bonds (distance) C4'-P energy: -69.238
bonds (distance) P-C4' energy: -70.837
flat angles C4'-P-C4' energy: -75.958
flat angles P-C4'-P energy: -50.388
tors. eta vs tors. theta energy: -63.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 32
Temperature: 1.150000
Total energy: -771.939994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -771.939994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -771.939994 (E_RNA)
where:
Base-Base interactions energy: -465.555
where: short stacking energy: -240.567
Base-Backbone interact. energy: 7.914
local terms energy: -314.298598
where:
bonds (distance) C4'-P energy: -70.929
bonds (distance) P-C4' energy: -68.036
flat angles C4'-P-C4' energy: -76.164
flat angles P-C4'-P energy: -49.550
tors. eta vs tors. theta energy: -49.620
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: 7, replica: 7
=====================================
Write number: 32
Temperature: 1.200000
Total energy: -673.020745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -673.020745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -673.020745 (E_RNA)
where:
Base-Base interactions energy: -383.504
where: short stacking energy: -203.699
Base-Backbone interact. energy: -1.750
local terms energy: -287.766186
where:
bonds (distance) C4'-P energy: -62.524
bonds (distance) P-C4' energy: -73.282
flat angles C4'-P-C4' energy: -64.770
flat angles P-C4'-P energy: -45.984
tors. eta vs tors. theta energy: -41.206
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: 2
=====================================
Write number: 32
Temperature: 1.250000
Total energy: -488.511960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.511960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.511960 (E_RNA)
where:
Base-Base interactions energy: -245.590
where: short stacking energy: -167.307
Base-Backbone interact. energy: 0.101
local terms energy: -243.022610
where:
bonds (distance) C4'-P energy: -55.882
bonds (distance) P-C4' energy: -65.793
flat angles C4'-P-C4' energy: -60.363
flat angles P-C4'-P energy: -37.931
tors. eta vs tors. theta energy: -23.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 32
Temperature: 1.300000
Total energy: -427.187735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.187735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.187735 (E_RNA)
where:
Base-Base interactions energy: -203.491
where: short stacking energy: -123.856
Base-Backbone interact. energy: -0.327
local terms energy: -223.370432
where:
bonds (distance) C4'-P energy: -64.313
bonds (distance) P-C4' energy: -52.578
flat angles C4'-P-C4' energy: -66.647
flat angles P-C4'-P energy: -43.046
tors. eta vs tors. theta energy: 3.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 32
Temperature: 1.350000
Total energy: -394.410331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.410331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -394.410331 (E_RNA)
where:
Base-Base interactions energy: -193.029
where: short stacking energy: -123.236
Base-Backbone interact. energy: -0.786
local terms energy: -200.595010
where:
bonds (distance) C4'-P energy: -62.805
bonds (distance) P-C4' energy: -59.038
flat angles C4'-P-C4' energy: -59.206
flat angles P-C4'-P energy: -27.053
tors. eta vs tors. theta energy: 7.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 33
Temperature: 0.900000
Total energy: -1226.308531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1226.308531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1226.308531 (E_RNA)
where:
Base-Base interactions energy: -817.811
where: short stacking energy: -358.786
Base-Backbone interact. energy: -3.413
local terms energy: -405.085182
where:
bonds (distance) C4'-P energy: -65.864
bonds (distance) P-C4' energy: -86.350
flat angles C4'-P-C4' energy: -87.514
flat angles P-C4'-P energy: -59.963
tors. eta vs tors. theta energy: -105.393
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: 2, replica: 4
=====================================
Write number: 33
Temperature: 0.950000
Total energy: -1160.619664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1160.619664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1160.619664 (E_RNA)
where:
Base-Base interactions energy: -748.713
where: short stacking energy: -330.289
Base-Backbone interact. energy: -1.650
local terms energy: -410.256055
where:
bonds (distance) C4'-P energy: -84.644
bonds (distance) P-C4' energy: -93.791
flat angles C4'-P-C4' energy: -82.763
flat angles P-C4'-P energy: -61.105
tors. eta vs tors. theta energy: -87.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 33
Temperature: 1.000000
Total energy: -1079.058422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1079.058422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1079.058422 (E_RNA)
where:
Base-Base interactions energy: -716.481
where: short stacking energy: -320.726
Base-Backbone interact. energy: 0.747
local terms energy: -363.325031
where:
bonds (distance) C4'-P energy: -81.527
bonds (distance) P-C4' energy: -70.491
flat angles C4'-P-C4' energy: -81.335
flat angles P-C4'-P energy: -50.717
tors. eta vs tors. theta energy: -79.255
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: 1
=====================================
Write number: 33
Temperature: 1.050000
Total energy: -1035.598011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1035.598011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1035.598011 (E_RNA)
where:
Base-Base interactions energy: -671.178
where: short stacking energy: -306.379
Base-Backbone interact. energy: -2.272
local terms energy: -362.148320
where:
bonds (distance) C4'-P energy: -71.451
bonds (distance) P-C4' energy: -74.313
flat angles C4'-P-C4' energy: -77.503
flat angles P-C4'-P energy: -55.749
tors. eta vs tors. theta energy: -83.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 33
Temperature: 1.100000
Total energy: -902.985478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -902.985478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -902.985478 (E_RNA)
where:
Base-Base interactions energy: -573.843
where: short stacking energy: -269.390
Base-Backbone interact. energy: 0.760
local terms energy: -329.902501
where:
bonds (distance) C4'-P energy: -69.218
bonds (distance) P-C4' energy: -70.479
flat angles C4'-P-C4' energy: -70.340
flat angles P-C4'-P energy: -49.472
tors. eta vs tors. theta energy: -70.393
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: 5
=====================================
Write number: 33
Temperature: 1.150000
Total energy: -789.487088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -789.487088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -789.487088 (E_RNA)
where:
Base-Base interactions energy: -472.805
where: short stacking energy: -251.523
Base-Backbone interact. energy: -2.077
local terms energy: -314.605068
where:
bonds (distance) C4'-P energy: -61.774
bonds (distance) P-C4' energy: -67.064
flat angles C4'-P-C4' energy: -74.850
flat angles P-C4'-P energy: -43.736
tors. eta vs tors. theta energy: -67.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 33
Temperature: 1.200000
Total energy: -679.097929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -679.097929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -679.097929 (E_RNA)
where:
Base-Base interactions energy: -394.902
where: short stacking energy: -179.463
Base-Backbone interact. energy: 2.609
local terms energy: -286.804941
where:
bonds (distance) C4'-P energy: -52.094
bonds (distance) P-C4' energy: -78.013
flat angles C4'-P-C4' energy: -77.596
flat angles P-C4'-P energy: -51.922
tors. eta vs tors. theta energy: -27.180
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: 2
=====================================
Write number: 33
Temperature: 1.250000
Total energy: -441.823119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.823119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -441.823119 (E_RNA)
where:
Base-Base interactions energy: -183.077
where: short stacking energy: -125.217
Base-Backbone interact. energy: 4.793
local terms energy: -263.539409
where:
bonds (distance) C4'-P energy: -78.058
bonds (distance) P-C4' energy: -67.017
flat angles C4'-P-C4' energy: -67.788
flat angles P-C4'-P energy: -41.367
tors. eta vs tors. theta energy: -9.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 33
Temperature: 1.300000
Total energy: -424.197815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.197815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.197815 (E_RNA)
where:
Base-Base interactions energy: -196.716
where: short stacking energy: -113.703
Base-Backbone interact. energy: -1.520
local terms energy: -225.962280
where:
bonds (distance) C4'-P energy: -65.356
bonds (distance) P-C4' energy: -69.433
flat angles C4'-P-C4' energy: -63.248
flat angles P-C4'-P energy: -31.447
tors. eta vs tors. theta energy: 3.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 33
Temperature: 1.350000
Total energy: -406.514698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.514698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.514698 (E_RNA)
where:
Base-Base interactions energy: -177.517
where: short stacking energy: -127.181
Base-Backbone interact. energy: -0.748
local terms energy: -228.249502
where:
bonds (distance) C4'-P energy: -57.888
bonds (distance) P-C4' energy: -74.879
flat angles C4'-P-C4' energy: -61.570
flat angles P-C4'-P energy: -39.508
tors. eta vs tors. theta energy: 5.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 34
Temperature: 0.900000
Total energy: -1219.379703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1219.379703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1219.379703 (E_RNA)
where:
Base-Base interactions energy: -822.642
where: short stacking energy: -360.447
Base-Backbone interact. energy: -1.058
local terms energy: -395.680200
where:
bonds (distance) C4'-P energy: -80.707
bonds (distance) P-C4' energy: -80.271
flat angles C4'-P-C4' energy: -86.137
flat angles P-C4'-P energy: -49.301
tors. eta vs tors. theta energy: -99.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 34
Temperature: 0.950000
Total energy: -1137.065194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1137.065194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1137.065194 (E_RNA)
where:
Base-Base interactions energy: -765.314
where: short stacking energy: -339.571
Base-Backbone interact. energy: -2.812
local terms energy: -368.939146
where:
bonds (distance) C4'-P energy: -73.952
bonds (distance) P-C4' energy: -75.759
flat angles C4'-P-C4' energy: -83.616
flat angles P-C4'-P energy: -50.602
tors. eta vs tors. theta energy: -85.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 34
Temperature: 1.000000
Total energy: -1082.704542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1082.704542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1082.704542 (E_RNA)
where:
Base-Base interactions energy: -728.561
where: short stacking energy: -312.872
Base-Backbone interact. energy: -1.213
local terms energy: -352.929934
where:
bonds (distance) C4'-P energy: -65.764
bonds (distance) P-C4' energy: -71.816
flat angles C4'-P-C4' energy: -81.188
flat angles P-C4'-P energy: -47.235
tors. eta vs tors. theta energy: -86.928
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: 1
=====================================
Write number: 34
Temperature: 1.050000
Total energy: -1096.273458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1096.273458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1096.273458 (E_RNA)
where:
Base-Base interactions energy: -742.368
where: short stacking energy: -325.812
Base-Backbone interact. energy: -1.988
local terms energy: -351.917843
where:
bonds (distance) C4'-P energy: -62.245
bonds (distance) P-C4' energy: -77.304
flat angles C4'-P-C4' energy: -83.456
flat angles P-C4'-P energy: -43.015
tors. eta vs tors. theta energy: -85.897
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: 5, replica: 3
=====================================
Write number: 34
Temperature: 1.100000
Total energy: -879.218399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -879.218399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -879.218399 (E_RNA)
where:
Base-Base interactions energy: -552.922
where: short stacking energy: -264.846
Base-Backbone interact. energy: -0.709
local terms energy: -325.587432
where:
bonds (distance) C4'-P energy: -84.365
bonds (distance) P-C4' energy: -54.682
flat angles C4'-P-C4' energy: -71.202
flat angles P-C4'-P energy: -55.999
tors. eta vs tors. theta energy: -59.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 34
Temperature: 1.150000
Total energy: -834.125142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -834.125142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -834.125142 (E_RNA)
where:
Base-Base interactions energy: -525.788
where: short stacking energy: -252.722
Base-Backbone interact. energy: -1.071
local terms energy: -307.265671
where:
bonds (distance) C4'-P energy: -62.155
bonds (distance) P-C4' energy: -62.208
flat angles C4'-P-C4' energy: -77.888
flat angles P-C4'-P energy: -48.003
tors. eta vs tors. theta energy: -57.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 34
Temperature: 1.200000
Total energy: -694.081918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -694.081918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -694.081918 (E_RNA)
where:
Base-Base interactions energy: -409.402
where: short stacking energy: -213.668
Base-Backbone interact. energy: 1.030
local terms energy: -285.709260
where:
bonds (distance) C4'-P energy: -58.234
bonds (distance) P-C4' energy: -68.382
flat angles C4'-P-C4' energy: -65.981
flat angles P-C4'-P energy: -42.867
tors. eta vs tors. theta energy: -50.245
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: 34
Temperature: 1.250000
Total energy: -443.229798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.229798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.229798 (E_RNA)
where:
Base-Base interactions energy: -213.281
where: short stacking energy: -133.572
Base-Backbone interact. energy: -0.742
local terms energy: -229.206575
where:
bonds (distance) C4'-P energy: -70.761
bonds (distance) P-C4' energy: -61.336
flat angles C4'-P-C4' energy: -65.682
flat angles P-C4'-P energy: -36.183
tors. eta vs tors. theta energy: 4.755
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: 9, replica: 8
=====================================
Write number: 34
Temperature: 1.300000
Total energy: -432.311252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -432.311252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.311252 (E_RNA)
where:
Base-Base interactions energy: -217.644
where: short stacking energy: -110.706
Base-Backbone interact. energy: -2.572
local terms energy: -212.095329
where:
bonds (distance) C4'-P energy: -52.272
bonds (distance) P-C4' energy: -56.788
flat angles C4'-P-C4' energy: -69.338
flat angles P-C4'-P energy: -44.876
tors. eta vs tors. theta energy: 11.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 34
Temperature: 1.350000
Total energy: -406.430825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.430825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.430825 (E_RNA)
where:
Base-Base interactions energy: -193.784
where: short stacking energy: -122.516
Base-Backbone interact. energy: 0.556
local terms energy: -213.202895
where:
bonds (distance) C4'-P energy: -55.731
bonds (distance) P-C4' energy: -59.750
flat angles C4'-P-C4' energy: -52.039
flat angles P-C4'-P energy: -45.554
tors. eta vs tors. theta energy: -0.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 35
Temperature: 0.900000
Total energy: -1242.009108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1242.009108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1242.009108 (E_RNA)
where:
Base-Base interactions energy: -846.514
where: short stacking energy: -380.600
Base-Backbone interact. energy: -0.701
local terms energy: -394.794108
where:
bonds (distance) C4'-P energy: -77.441
bonds (distance) P-C4' energy: -76.867
flat angles C4'-P-C4' energy: -79.799
flat angles P-C4'-P energy: -61.044
tors. eta vs tors. theta energy: -99.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 35
Temperature: 0.950000
Total energy: -1105.501141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1105.501141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1105.501141 (E_RNA)
where:
Base-Base interactions energy: -745.953
where: short stacking energy: -324.569
Base-Backbone interact. energy: -2.616
local terms energy: -356.932432
where:
bonds (distance) C4'-P energy: -65.878
bonds (distance) P-C4' energy: -75.353
flat angles C4'-P-C4' energy: -81.797
flat angles P-C4'-P energy: -54.716
tors. eta vs tors. theta energy: -79.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 35
Temperature: 1.000000
Total energy: -1098.046990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1098.046990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1098.046990 (E_RNA)
where:
Base-Base interactions energy: -730.404
where: short stacking energy: -305.398
Base-Backbone interact. energy: -1.945
local terms energy: -365.697563
where:
bonds (distance) C4'-P energy: -77.671
bonds (distance) P-C4' energy: -71.572
flat angles C4'-P-C4' energy: -82.415
flat angles P-C4'-P energy: -51.717
tors. eta vs tors. theta energy: -82.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 35
Temperature: 1.050000
Total energy: -1125.994392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1125.994392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1125.994392 (E_RNA)
where:
Base-Base interactions energy: -761.603
where: short stacking energy: -342.153
Base-Backbone interact. energy: -1.908
local terms energy: -362.483138
where:
bonds (distance) C4'-P energy: -69.949
bonds (distance) P-C4' energy: -78.500
flat angles C4'-P-C4' energy: -79.550
flat angles P-C4'-P energy: -54.100
tors. eta vs tors. theta energy: -80.385
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: 3
=====================================
Write number: 35
Temperature: 1.100000
Total energy: -847.284455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -847.284455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -847.284455 (E_RNA)
where:
Base-Base interactions energy: -540.069
where: short stacking energy: -224.866
Base-Backbone interact. energy: -0.514
local terms energy: -306.701387
where:
bonds (distance) C4'-P energy: -63.059
bonds (distance) P-C4' energy: -74.807
flat angles C4'-P-C4' energy: -70.423
flat angles P-C4'-P energy: -49.135
tors. eta vs tors. theta energy: -49.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 35
Temperature: 1.150000
Total energy: -842.530400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -842.530400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -842.530400 (E_RNA)
where:
Base-Base interactions energy: -530.730
where: short stacking energy: -247.588
Base-Backbone interact. energy: -1.247
local terms energy: -310.553737
where:
bonds (distance) C4'-P energy: -63.508
bonds (distance) P-C4' energy: -68.983
flat angles C4'-P-C4' energy: -69.866
flat angles P-C4'-P energy: -49.988
tors. eta vs tors. theta energy: -58.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 35
Temperature: 1.200000
Total energy: -713.499347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -713.499347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -713.499347 (E_RNA)
where:
Base-Base interactions energy: -449.493
where: short stacking energy: -227.816
Base-Backbone interact. energy: -2.142
local terms energy: -261.864635
where:
bonds (distance) C4'-P energy: -62.378
bonds (distance) P-C4' energy: -63.949
flat angles C4'-P-C4' energy: -56.518
flat angles P-C4'-P energy: -41.619
tors. eta vs tors. theta energy: -37.400
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: 2
=====================================
Write number: 35
Temperature: 1.250000
Total energy: -485.903604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.903604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.903604 (E_RNA)
where:
Base-Base interactions energy: -231.857
where: short stacking energy: -143.466
Base-Backbone interact. energy: -1.198
local terms energy: -252.848421
where:
bonds (distance) C4'-P energy: -66.461
bonds (distance) P-C4' energy: -79.015
flat angles C4'-P-C4' energy: -49.530
flat angles P-C4'-P energy: -37.543
tors. eta vs tors. theta energy: -20.299
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: 9, replica: 8
=====================================
Write number: 35
Temperature: 1.300000
Total energy: -434.966613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.966613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.966613 (E_RNA)
where:
Base-Base interactions energy: -199.534
where: short stacking energy: -123.018
Base-Backbone interact. energy: -0.461
local terms energy: -234.970745
where:
bonds (distance) C4'-P energy: -60.783
bonds (distance) P-C4' energy: -62.728
flat angles C4'-P-C4' energy: -56.560
flat angles P-C4'-P energy: -45.317
tors. eta vs tors. theta energy: -9.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 35
Temperature: 1.350000
Total energy: -421.372223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.372223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.372223 (E_RNA)
where:
Base-Base interactions energy: -191.031
where: short stacking energy: -137.375
Base-Backbone interact. energy: -0.115
local terms energy: -230.225890
where:
bonds (distance) C4'-P energy: -52.147
bonds (distance) P-C4' energy: -72.862
flat angles C4'-P-C4' energy: -68.234
flat angles P-C4'-P energy: -26.913
tors. eta vs tors. theta energy: -10.068
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: 10
=====================================
Write number: 36
Temperature: 0.900000
Total energy: -1224.106492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1224.106492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1224.106492 (E_RNA)
where:
Base-Base interactions energy: -826.593
where: short stacking energy: -360.195
Base-Backbone interact. energy: -2.245
local terms energy: -395.268309
where:
bonds (distance) C4'-P energy: -70.274
bonds (distance) P-C4' energy: -88.573
flat angles C4'-P-C4' energy: -79.377
flat angles P-C4'-P energy: -55.486
tors. eta vs tors. theta energy: -101.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 36
Temperature: 0.950000
Total energy: -1125.002547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1125.002547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1125.002547 (E_RNA)
where:
Base-Base interactions energy: -746.460
where: short stacking energy: -339.453
Base-Backbone interact. energy: 1.091
local terms energy: -379.634292
where:
bonds (distance) C4'-P energy: -78.031
bonds (distance) P-C4' energy: -76.218
flat angles C4'-P-C4' energy: -84.767
flat angles P-C4'-P energy: -59.408
tors. eta vs tors. theta energy: -81.211
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: 9
=====================================
Write number: 36
Temperature: 1.000000
Total energy: -1142.007289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1142.007289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1142.007289 (E_RNA)
where:
Base-Base interactions energy: -754.978
where: short stacking energy: -313.325
Base-Backbone interact. energy: -1.156
local terms energy: -385.874008
where:
bonds (distance) C4'-P energy: -74.379
bonds (distance) P-C4' energy: -82.862
flat angles C4'-P-C4' energy: -90.436
flat angles P-C4'-P energy: -46.806
tors. eta vs tors. theta energy: -91.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 36
Temperature: 1.050000
Total energy: -1112.685677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1112.685677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1112.685677 (E_RNA)
where:
Base-Base interactions energy: -727.466
where: short stacking energy: -335.357
Base-Backbone interact. energy: -1.551
local terms energy: -383.668194
where:
bonds (distance) C4'-P energy: -77.781
bonds (distance) P-C4' energy: -81.382
flat angles C4'-P-C4' energy: -75.881
flat angles P-C4'-P energy: -55.563
tors. eta vs tors. theta energy: -93.062
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: 3
=====================================
Write number: 36
Temperature: 1.100000
Total energy: -828.839080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -828.839080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -828.839080 (E_RNA)
where:
Base-Base interactions energy: -537.038
where: short stacking energy: -219.246
Base-Backbone interact. energy: -1.744
local terms energy: -290.057074
where:
bonds (distance) C4'-P energy: -69.512
bonds (distance) P-C4' energy: -60.747
flat angles C4'-P-C4' energy: -69.608
flat angles P-C4'-P energy: -48.173
tors. eta vs tors. theta energy: -42.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 36
Temperature: 1.150000
Total energy: -815.608768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -815.608768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -815.608768 (E_RNA)
where:
Base-Base interactions energy: -488.829
where: short stacking energy: -262.947
Base-Backbone interact. energy: -1.247
local terms energy: -325.531849
where:
bonds (distance) C4'-P energy: -56.215
bonds (distance) P-C4' energy: -78.237
flat angles C4'-P-C4' energy: -71.118
flat angles P-C4'-P energy: -56.526
tors. eta vs tors. theta energy: -63.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 36
Temperature: 1.200000
Total energy: -758.114937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -758.114937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -758.114937 (E_RNA)
where:
Base-Base interactions energy: -484.362
where: short stacking energy: -239.490
Base-Backbone interact. energy: 1.387
local terms energy: -275.139315
where:
bonds (distance) C4'-P energy: -51.787
bonds (distance) P-C4' energy: -71.330
flat angles C4'-P-C4' energy: -73.358
flat angles P-C4'-P energy: -34.525
tors. eta vs tors. theta energy: -44.139
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: 8, replica: 2
=====================================
Write number: 36
Temperature: 1.250000
Total energy: -471.294914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.294914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.294914 (E_RNA)
where:
Base-Base interactions energy: -241.167
where: short stacking energy: -134.423
Base-Backbone interact. energy: -1.451
local terms energy: -228.677661
where:
bonds (distance) C4'-P energy: -64.813
bonds (distance) P-C4' energy: -68.503
flat angles C4'-P-C4' energy: -50.134
flat angles P-C4'-P energy: -36.959
tors. eta vs tors. theta energy: -8.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 36
Temperature: 1.300000
Total energy: -472.780360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.780360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.780360 (E_RNA)
where:
Base-Base interactions energy: -224.960
where: short stacking energy: -130.241
Base-Backbone interact. energy: -0.769
local terms energy: -247.051669
where:
bonds (distance) C4'-P energy: -63.208
bonds (distance) P-C4' energy: -78.069
flat angles C4'-P-C4' energy: -60.440
flat angles P-C4'-P energy: -37.337
tors. eta vs tors. theta energy: -7.998
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: 8
=====================================
Write number: 36
Temperature: 1.350000
Total energy: -424.959845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.959845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.959845 (E_RNA)
where:
Base-Base interactions energy: -187.352
where: short stacking energy: -112.968
Base-Backbone interact. energy: 3.988
local terms energy: -241.595899
where:
bonds (distance) C4'-P energy: -68.885
bonds (distance) P-C4' energy: -80.244
flat angles C4'-P-C4' energy: -59.730
flat angles P-C4'-P energy: -21.755
tors. eta vs tors. theta energy: -10.982
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: 37
Temperature: 0.900000
Total energy: -1222.922579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1222.922579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1222.922579 (E_RNA)
where:
Base-Base interactions energy: -835.842
where: short stacking energy: -377.869
Base-Backbone interact. energy: -4.090
local terms energy: -382.991095
where:
bonds (distance) C4'-P energy: -72.028
bonds (distance) P-C4' energy: -75.374
flat angles C4'-P-C4' energy: -74.241
flat angles P-C4'-P energy: -57.847
tors. eta vs tors. theta energy: -103.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 37
Temperature: 0.950000
Total energy: -1143.541270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1143.541270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1143.541270 (E_RNA)
where:
Base-Base interactions energy: -768.755
where: short stacking energy: -353.066
Base-Backbone interact. energy: -1.860
local terms energy: -372.926369
where:
bonds (distance) C4'-P energy: -70.189
bonds (distance) P-C4' energy: -72.597
flat angles C4'-P-C4' energy: -81.124
flat angles P-C4'-P energy: -54.571
tors. eta vs tors. theta energy: -94.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 37
Temperature: 1.000000
Total energy: -1060.933772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1060.933772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1060.933772 (E_RNA)
where:
Base-Base interactions energy: -697.685
where: short stacking energy: -290.767
Base-Backbone interact. energy: -2.786
local terms energy: -360.462917
where:
bonds (distance) C4'-P energy: -68.489
bonds (distance) P-C4' energy: -69.504
flat angles C4'-P-C4' energy: -84.265
flat angles P-C4'-P energy: -54.341
tors. eta vs tors. theta energy: -83.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 37
Temperature: 1.050000
Total energy: -1095.095075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1095.095075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1095.095075 (E_RNA)
where:
Base-Base interactions energy: -749.562
where: short stacking energy: -315.133
Base-Backbone interact. energy: -3.170
local terms energy: -342.362435
where:
bonds (distance) C4'-P energy: -66.226
bonds (distance) P-C4' energy: -80.054
flat angles C4'-P-C4' energy: -78.104
flat angles P-C4'-P energy: -45.518
tors. eta vs tors. theta energy: -72.460
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: 3
=====================================
Write number: 37
Temperature: 1.100000
Total energy: -883.606277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -883.606277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -883.606277 (E_RNA)
where:
Base-Base interactions energy: -579.731
where: short stacking energy: -264.136
Base-Backbone interact. energy: 0.149
local terms energy: -304.024656
where:
bonds (distance) C4'-P energy: -70.092
bonds (distance) P-C4' energy: -61.062
flat angles C4'-P-C4' energy: -73.620
flat angles P-C4'-P energy: -50.584
tors. eta vs tors. theta energy: -48.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 37
Temperature: 1.150000
Total energy: -819.782024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -819.782024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -819.782024 (E_RNA)
where:
Base-Base interactions energy: -473.632
where: short stacking energy: -252.921
Base-Backbone interact. energy: -2.341
local terms energy: -343.808893
where:
bonds (distance) C4'-P energy: -63.712
bonds (distance) P-C4' energy: -72.629
flat angles C4'-P-C4' energy: -79.654
flat angles P-C4'-P energy: -57.723
tors. eta vs tors. theta energy: -70.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 37
Temperature: 1.200000
Total energy: -811.239810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -811.239810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -811.239810 (E_RNA)
where:
Base-Base interactions energy: -521.179
where: short stacking energy: -246.051
Base-Backbone interact. energy: 0.790
local terms energy: -291.908803
where:
bonds (distance) C4'-P energy: -59.507
bonds (distance) P-C4' energy: -67.710
flat angles C4'-P-C4' energy: -69.335
flat angles P-C4'-P energy: -51.602
tors. eta vs tors. theta energy: -43.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.058 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 37
Temperature: 1.250000
Total energy: -531.072537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.072537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.072537 (E_RNA)
where:
Base-Base interactions energy: -276.792
where: short stacking energy: -159.939
Base-Backbone interact. energy: -2.380
local terms energy: -251.900805
where:
bonds (distance) C4'-P energy: -54.053
bonds (distance) P-C4' energy: -66.860
flat angles C4'-P-C4' energy: -67.704
flat angles P-C4'-P energy: -37.162
tors. eta vs tors. theta energy: -26.122
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: 2
=====================================
Write number: 37
Temperature: 1.300000
Total energy: -553.900576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.900576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.900576 (E_RNA)
where:
Base-Base interactions energy: -312.972
where: short stacking energy: -150.684
Base-Backbone interact. energy: -1.419
local terms energy: -239.510007
where:
bonds (distance) C4'-P energy: -61.246
bonds (distance) P-C4' energy: -56.854
flat angles C4'-P-C4' energy: -59.183
flat angles P-C4'-P energy: -46.530
tors. eta vs tors. theta energy: -15.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 37
Temperature: 1.350000
Total energy: -402.524032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.524032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.524032 (E_RNA)
where:
Base-Base interactions energy: -163.875
where: short stacking energy: -96.872
Base-Backbone interact. energy: 3.654
local terms energy: -242.303531
where:
bonds (distance) C4'-P energy: -64.329
bonds (distance) P-C4' energy: -68.259
flat angles C4'-P-C4' energy: -54.154
flat angles P-C4'-P energy: -47.866
tors. eta vs tors. theta energy: -7.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 38
Temperature: 0.900000
Total energy: -1242.872557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1242.872557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1242.872557 (E_RNA)
where:
Base-Base interactions energy: -846.182
where: short stacking energy: -373.112
Base-Backbone interact. energy: 0.361
local terms energy: -397.051343
where:
bonds (distance) C4'-P energy: -77.744
bonds (distance) P-C4' energy: -73.609
flat angles C4'-P-C4' energy: -85.938
flat angles P-C4'-P energy: -60.981
tors. eta vs tors. theta energy: -98.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 38
Temperature: 0.950000
Total energy: -1115.399221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1115.399221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1115.399221 (E_RNA)
where:
Base-Base interactions energy: -745.914
where: short stacking energy: -324.547
Base-Backbone interact. energy: -0.990
local terms energy: -368.495016
where:
bonds (distance) C4'-P energy: -69.869
bonds (distance) P-C4' energy: -68.868
flat angles C4'-P-C4' energy: -87.462
flat angles P-C4'-P energy: -57.194
tors. eta vs tors. theta energy: -85.102
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: 3, replica: 1
=====================================
Write number: 38
Temperature: 1.000000
Total energy: -1125.673434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1125.673434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1125.673434 (E_RNA)
where:
Base-Base interactions energy: -776.150
where: short stacking energy: -331.159
Base-Backbone interact. energy: -0.430
local terms energy: -349.093342
where:
bonds (distance) C4'-P energy: -74.783
bonds (distance) P-C4' energy: -64.817
flat angles C4'-P-C4' energy: -87.054
flat angles P-C4'-P energy: -44.842
tors. eta vs tors. theta energy: -77.597
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: 9
=====================================
Write number: 38
Temperature: 1.050000
Total energy: -1057.032004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1057.032004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1057.032004 (E_RNA)
where:
Base-Base interactions energy: -694.507
where: short stacking energy: -328.024
Base-Backbone interact. energy: -2.092
local terms energy: -360.432665
where:
bonds (distance) C4'-P energy: -71.133
bonds (distance) P-C4' energy: -72.325
flat angles C4'-P-C4' energy: -85.683
flat angles P-C4'-P energy: -40.483
tors. eta vs tors. theta energy: -90.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 38
Temperature: 1.100000
Total energy: -879.221651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -879.221651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -879.221651 (E_RNA)
where:
Base-Base interactions energy: -559.144
where: short stacking energy: -237.105
Base-Backbone interact. energy: 1.313
local terms energy: -321.391385
where:
bonds (distance) C4'-P energy: -66.092
bonds (distance) P-C4' energy: -77.835
flat angles C4'-P-C4' energy: -75.083
flat angles P-C4'-P energy: -44.205
tors. eta vs tors. theta energy: -58.176
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: 6, replica: 5
=====================================
Write number: 38
Temperature: 1.150000
Total energy: -810.857359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -810.857359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -810.857359 (E_RNA)
where:
Base-Base interactions energy: -498.910
where: short stacking energy: -244.983
Base-Backbone interact. energy: -1.152
local terms energy: -310.794961
where:
bonds (distance) C4'-P energy: -60.685
bonds (distance) P-C4' energy: -78.524
flat angles C4'-P-C4' energy: -71.456
flat angles P-C4'-P energy: -40.200
tors. eta vs tors. theta energy: -59.930
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: 7
=====================================
Write number: 38
Temperature: 1.200000
Total energy: -821.426024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -821.426024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -821.426024 (E_RNA)
where:
Base-Base interactions energy: -524.295
where: short stacking energy: -245.707
Base-Backbone interact. energy: -0.660
local terms energy: -296.471599
where:
bonds (distance) C4'-P energy: -63.610
bonds (distance) P-C4' energy: -68.515
flat angles C4'-P-C4' energy: -69.371
flat angles P-C4'-P energy: -46.629
tors. eta vs tors. theta energy: -48.347
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: 6
=====================================
Write number: 38
Temperature: 1.250000
Total energy: -531.129626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.129626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.129626 (E_RNA)
where:
Base-Base interactions energy: -280.247
where: short stacking energy: -153.800
Base-Backbone interact. energy: 1.090
local terms energy: -251.972623
where:
bonds (distance) C4'-P energy: -71.997
bonds (distance) P-C4' energy: -82.299
flat angles C4'-P-C4' energy: -51.318
flat angles P-C4'-P energy: -36.233
tors. eta vs tors. theta energy: -10.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 38
Temperature: 1.300000
Total energy: -588.329329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -588.329329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -588.329329 (E_RNA)
where:
Base-Base interactions energy: -329.965
where: short stacking energy: -163.062
Base-Backbone interact. energy: -1.155
local terms energy: -257.209226
where:
bonds (distance) C4'-P energy: -68.740
bonds (distance) P-C4' energy: -73.477
flat angles C4'-P-C4' energy: -61.357
flat angles P-C4'-P energy: -41.929
tors. eta vs tors. theta energy: -11.706
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: 10, replica: 8
=====================================
Write number: 38
Temperature: 1.350000
Total energy: -405.158152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.158152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.158152 (E_RNA)
where:
Base-Base interactions energy: -183.324
where: short stacking energy: -111.633
Base-Backbone interact. energy: 1.229
local terms energy: -223.063875
where:
bonds (distance) C4'-P energy: -54.124
bonds (distance) P-C4' energy: -69.075
flat angles C4'-P-C4' energy: -64.409
flat angles P-C4'-P energy: -34.966
tors. eta vs tors. theta energy: -0.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 39
Temperature: 0.900000
Total energy: -1208.555019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1208.555019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1208.555019 (E_RNA)
where:
Base-Base interactions energy: -815.836
where: short stacking energy: -358.707
Base-Backbone interact. energy: 0.476
local terms energy: -393.195791
where:
bonds (distance) C4'-P energy: -77.182
bonds (distance) P-C4' energy: -77.275
flat angles C4'-P-C4' energy: -87.836
flat angles P-C4'-P energy: -58.307
tors. eta vs tors. theta energy: -92.595
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: 1
=====================================
Write number: 39
Temperature: 0.950000
Total energy: -1194.908503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1194.908503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1194.908503 (E_RNA)
where:
Base-Base interactions energy: -797.387
where: short stacking energy: -363.244
Base-Backbone interact. energy: -2.013
local terms energy: -395.508325
where:
bonds (distance) C4'-P energy: -68.691
bonds (distance) P-C4' energy: -86.394
flat angles C4'-P-C4' energy: -81.104
flat angles P-C4'-P energy: -61.618
tors. eta vs tors. theta energy: -97.702
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: 3, replica: 4
=====================================
Write number: 39
Temperature: 1.000000
Total energy: -1115.182488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1115.182488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1115.182488 (E_RNA)
where:
Base-Base interactions energy: -770.075
where: short stacking energy: -318.460
Base-Backbone interact. energy: -0.526
local terms energy: -344.581408
where:
bonds (distance) C4'-P energy: -71.448
bonds (distance) P-C4' energy: -75.747
flat angles C4'-P-C4' energy: -78.660
flat angles P-C4'-P energy: -53.188
tors. eta vs tors. theta energy: -65.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 39
Temperature: 1.050000
Total energy: -1058.995878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1058.995878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1058.995878 (E_RNA)
where:
Base-Base interactions energy: -688.466
where: short stacking energy: -308.292
Base-Backbone interact. energy: -1.535
local terms energy: -368.994234
where:
bonds (distance) C4'-P energy: -81.072
bonds (distance) P-C4' energy: -67.993
flat angles C4'-P-C4' energy: -82.468
flat angles P-C4'-P energy: -53.962
tors. eta vs tors. theta energy: -83.499
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: 3
=====================================
Write number: 39
Temperature: 1.100000
Total energy: -870.903836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -870.903836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -870.903836 (E_RNA)
where:
Base-Base interactions energy: -555.661
where: short stacking energy: -248.847
Base-Backbone interact. energy: 6.801
local terms energy: -322.044497
where:
bonds (distance) C4'-P energy: -70.065
bonds (distance) P-C4' energy: -67.774
flat angles C4'-P-C4' energy: -78.975
flat angles P-C4'-P energy: -52.320
tors. eta vs tors. theta energy: -52.909
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: 7
=====================================
Write number: 39
Temperature: 1.150000
Total energy: -842.884930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -842.884930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -842.884930 (E_RNA)
where:
Base-Base interactions energy: -531.893
where: short stacking energy: -264.485
Base-Backbone interact. energy: -1.296
local terms energy: -309.695688
where:
bonds (distance) C4'-P energy: -65.502
bonds (distance) P-C4' energy: -67.938
flat angles C4'-P-C4' energy: -78.855
flat angles P-C4'-P energy: -51.912
tors. eta vs tors. theta energy: -45.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 39
Temperature: 1.200000
Total energy: -776.905160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -776.905160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -776.905160 (E_RNA)
where:
Base-Base interactions energy: -473.178
where: short stacking energy: -241.717
Base-Backbone interact. energy: -2.014
local terms energy: -301.713451
where:
bonds (distance) C4'-P energy: -50.112
bonds (distance) P-C4' energy: -73.790
flat angles C4'-P-C4' energy: -75.769
flat angles P-C4'-P energy: -50.484
tors. eta vs tors. theta energy: -51.558
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: 2
=====================================
Write number: 39
Temperature: 1.250000
Total energy: -616.513477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -616.513477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -616.513477 (E_RNA)
where:
Base-Base interactions energy: -354.685
where: short stacking energy: -181.564
Base-Backbone interact. energy: 0.312
local terms energy: -262.140618
where:
bonds (distance) C4'-P energy: -67.848
bonds (distance) P-C4' energy: -70.048
flat angles C4'-P-C4' energy: -65.368
flat angles P-C4'-P energy: -27.817
tors. eta vs tors. theta energy: -31.060
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: 6
=====================================
Write number: 39
Temperature: 1.300000
Total energy: -471.946308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.946308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.946308 (E_RNA)
where:
Base-Base interactions energy: -249.377
where: short stacking energy: -132.372
Base-Backbone interact. energy: -4.988
local terms energy: -217.581584
where:
bonds (distance) C4'-P energy: -69.019
bonds (distance) P-C4' energy: -64.269
flat angles C4'-P-C4' energy: -52.501
flat angles P-C4'-P energy: -28.155
tors. eta vs tors. theta energy: -3.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 39
Temperature: 1.350000
Total energy: -404.979790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.979790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.979790 (E_RNA)
where:
Base-Base interactions energy: -201.638
where: short stacking energy: -122.847
Base-Backbone interact. energy: -1.523
local terms energy: -201.818773
where:
bonds (distance) C4'-P energy: -56.063
bonds (distance) P-C4' energy: -65.051
flat angles C4'-P-C4' energy: -46.290
flat angles P-C4'-P energy: -34.676
tors. eta vs tors. theta energy: 0.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 40
Temperature: 0.900000
Total energy: -1204.480910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1204.480910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1204.480910 (E_RNA)
where:
Base-Base interactions energy: -792.914
where: short stacking energy: -359.697
Base-Backbone interact. energy: -1.458
local terms energy: -410.108701
where:
bonds (distance) C4'-P energy: -75.312
bonds (distance) P-C4' energy: -80.605
flat angles C4'-P-C4' energy: -96.783
flat angles P-C4'-P energy: -52.986
tors. eta vs tors. theta energy: -104.423
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: 10
=====================================
Write number: 40
Temperature: 0.950000
Total energy: -1173.370605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1173.370605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1173.370605 (E_RNA)
where:
Base-Base interactions energy: -779.960
where: short stacking energy: -326.726
Base-Backbone interact. energy: -2.269
local terms energy: -391.142215
where:
bonds (distance) C4'-P energy: -71.726
bonds (distance) P-C4' energy: -84.516
flat angles C4'-P-C4' energy: -82.105
flat angles P-C4'-P energy: -59.321
tors. eta vs tors. theta energy: -93.474
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: 3, replica: 4
=====================================
Write number: 40
Temperature: 1.000000
Total energy: -1112.450740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1112.450740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1112.450740 (E_RNA)
where:
Base-Base interactions energy: -762.900
where: short stacking energy: -313.819
Base-Backbone interact. energy: 1.898
local terms energy: -351.448369
where:
bonds (distance) C4'-P energy: -66.059
bonds (distance) P-C4' energy: -72.917
flat angles C4'-P-C4' energy: -80.304
flat angles P-C4'-P energy: -58.950
tors. eta vs tors. theta energy: -73.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 40
Temperature: 1.050000
Total energy: -969.135224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -969.135224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -969.135224 (E_RNA)
where:
Base-Base interactions energy: -627.885
where: short stacking energy: -288.377
Base-Backbone interact. energy: -0.444
local terms energy: -340.806352
where:
bonds (distance) C4'-P energy: -73.965
bonds (distance) P-C4' energy: -78.466
flat angles C4'-P-C4' energy: -72.616
flat angles P-C4'-P energy: -44.796
tors. eta vs tors. theta energy: -70.963
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: 5, replica: 3
=====================================
Write number: 40
Temperature: 1.100000
Total energy: -873.553319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -873.553319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -873.553319 (E_RNA)
where:
Base-Base interactions energy: -556.031
where: short stacking energy: -252.224
Base-Backbone interact. energy: -0.381
local terms energy: -317.140785
where:
bonds (distance) C4'-P energy: -72.459
bonds (distance) P-C4' energy: -73.308
flat angles C4'-P-C4' energy: -73.599
flat angles P-C4'-P energy: -47.172
tors. eta vs tors. theta energy: -50.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 40
Temperature: 1.150000
Total energy: -903.940653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -903.940653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -903.940653 (E_RNA)
where:
Base-Base interactions energy: -597.564
where: short stacking energy: -261.958
Base-Backbone interact. energy: -2.276
local terms energy: -304.100972
where:
bonds (distance) C4'-P energy: -67.243
bonds (distance) P-C4' energy: -61.050
flat angles C4'-P-C4' energy: -65.701
flat angles P-C4'-P energy: -44.753
tors. eta vs tors. theta energy: -65.354
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: 5
=====================================
Write number: 40
Temperature: 1.200000
Total energy: -759.213749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -759.213749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -759.213749 (E_RNA)
where:
Base-Base interactions energy: -487.993
where: short stacking energy: -238.601
Base-Backbone interact. energy: 1.142
local terms energy: -272.362543
where:
bonds (distance) C4'-P energy: -49.621
bonds (distance) P-C4' energy: -58.043
flat angles C4'-P-C4' energy: -77.933
flat angles P-C4'-P energy: -42.310
tors. eta vs tors. theta energy: -44.456
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: 2
=====================================
Write number: 40
Temperature: 1.250000
Total energy: -601.507214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -601.507214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -601.507214 (E_RNA)
where:
Base-Base interactions energy: -330.338
where: short stacking energy: -151.200
Base-Backbone interact. energy: -0.577
local terms energy: -270.591506
where:
bonds (distance) C4'-P energy: -63.750
bonds (distance) P-C4' energy: -72.862
flat angles C4'-P-C4' energy: -62.773
flat angles P-C4'-P energy: -50.494
tors. eta vs tors. theta energy: -20.712
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: 6
=====================================
Write number: 40
Temperature: 1.300000
Total energy: -507.139510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.139510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.139510 (E_RNA)
where:
Base-Base interactions energy: -292.578
where: short stacking energy: -147.891
Base-Backbone interact. energy: 0.357
local terms energy: -214.919181
where:
bonds (distance) C4'-P energy: -64.293
bonds (distance) P-C4' energy: -70.446
flat angles C4'-P-C4' energy: -41.104
flat angles P-C4'-P energy: -30.172
tors. eta vs tors. theta energy: -8.904
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 40
Temperature: 1.350000
Total energy: -400.461168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.461168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -400.461168 (E_RNA)
where:
Base-Base interactions energy: -182.657
where: short stacking energy: -112.982
Base-Backbone interact. energy: 2.063
local terms energy: -219.867886
where:
bonds (distance) C4'-P energy: -60.653
bonds (distance) P-C4' energy: -66.854
flat angles C4'-P-C4' energy: -51.654
flat angles P-C4'-P energy: -38.174
tors. eta vs tors. theta energy: -2.533
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: 1
=====================================
Write number: 41
Temperature: 0.900000
Total energy: -1199.205931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1199.205931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1199.205931 (E_RNA)
where:
Base-Base interactions energy: -792.358
where: short stacking energy: -355.032
Base-Backbone interact. energy: 1.555
local terms energy: -408.402183
where:
bonds (distance) C4'-P energy: -74.668
bonds (distance) P-C4' energy: -82.630
flat angles C4'-P-C4' energy: -88.355
flat angles P-C4'-P energy: -57.363
tors. eta vs tors. theta energy: -105.386
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: 10
=====================================
Write number: 41
Temperature: 0.950000
Total energy: -1168.840710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1168.840710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1168.840710 (E_RNA)
where:
Base-Base interactions energy: -789.126
where: short stacking energy: -339.879
Base-Backbone interact. energy: -1.620
local terms energy: -378.095459
where:
bonds (distance) C4'-P energy: -74.308
bonds (distance) P-C4' energy: -71.520
flat angles C4'-P-C4' energy: -77.132
flat angles P-C4'-P energy: -63.168
tors. eta vs tors. theta energy: -91.967
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: 4
=====================================
Write number: 41
Temperature: 1.000000
Total energy: -1108.321447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1108.321447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1108.321447 (E_RNA)
where:
Base-Base interactions energy: -744.977
where: short stacking energy: -302.398
Base-Backbone interact. energy: -2.396
local terms energy: -360.948387
where:
bonds (distance) C4'-P energy: -72.753
bonds (distance) P-C4' energy: -86.769
flat angles C4'-P-C4' energy: -73.493
flat angles P-C4'-P energy: -52.457
tors. eta vs tors. theta energy: -75.476
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: 4, replica: 9
=====================================
Write number: 41
Temperature: 1.050000
Total energy: -1038.408858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1038.408858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1038.408858 (E_RNA)
where:
Base-Base interactions energy: -670.039
where: short stacking energy: -314.309
Base-Backbone interact. energy: -2.968
local terms energy: -365.401832
where:
bonds (distance) C4'-P energy: -82.992
bonds (distance) P-C4' energy: -79.849
flat angles C4'-P-C4' energy: -75.287
flat angles P-C4'-P energy: -54.595
tors. eta vs tors. theta energy: -72.679
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: 3
=====================================
Write number: 41
Temperature: 1.100000
Total energy: -871.638975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -871.638975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -871.638975 (E_RNA)
where:
Base-Base interactions energy: -570.288
where: short stacking energy: -247.165
Base-Backbone interact. energy: -2.158
local terms energy: -299.192497
where:
bonds (distance) C4'-P energy: -72.262
bonds (distance) P-C4' energy: -65.521
flat angles C4'-P-C4' energy: -73.336
flat angles P-C4'-P energy: -39.376
tors. eta vs tors. theta energy: -48.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 41
Temperature: 1.150000
Total energy: -909.777992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -909.777992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -909.777992 (E_RNA)
where:
Base-Base interactions energy: -613.339
where: short stacking energy: -278.902
Base-Backbone interact. energy: 0.373
local terms energy: -296.811242
where:
bonds (distance) C4'-P energy: -69.596
bonds (distance) P-C4' energy: -62.187
flat angles C4'-P-C4' energy: -58.914
flat angles P-C4'-P energy: -41.250
tors. eta vs tors. theta energy: -64.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 41
Temperature: 1.200000
Total energy: -758.593830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -758.593830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -758.593830 (E_RNA)
where:
Base-Base interactions energy: -481.562
where: short stacking energy: -228.300
Base-Backbone interact. energy: -1.508
local terms energy: -275.604781
where:
bonds (distance) C4'-P energy: -66.145
bonds (distance) P-C4' energy: -54.112
flat angles C4'-P-C4' energy: -59.147
flat angles P-C4'-P energy: -44.341
tors. eta vs tors. theta energy: -51.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.081 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 41
Temperature: 1.250000
Total energy: -610.918911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -610.918911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -610.918911 (E_RNA)
where:
Base-Base interactions energy: -377.741
where: short stacking energy: -188.092
Base-Backbone interact. energy: -1.308
local terms energy: -231.869752
where:
bonds (distance) C4'-P energy: -49.086
bonds (distance) P-C4' energy: -57.689
flat angles C4'-P-C4' energy: -69.811
flat angles P-C4'-P energy: -19.728
tors. eta vs tors. theta energy: -35.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 41
Temperature: 1.300000
Total energy: -451.411037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.411037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.411037 (E_RNA)
where:
Base-Base interactions energy: -237.526
where: short stacking energy: -121.634
Base-Backbone interact. energy: 0.338
local terms energy: -214.222557
where:
bonds (distance) C4'-P energy: -50.318
bonds (distance) P-C4' energy: -77.902
flat angles C4'-P-C4' energy: -43.046
flat angles P-C4'-P energy: -32.903
tors. eta vs tors. theta energy: -10.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 41
Temperature: 1.350000
Total energy: -417.680338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.680338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.680338 (E_RNA)
where:
Base-Base interactions energy: -209.757
where: short stacking energy: -119.866
Base-Backbone interact. energy: 3.670
local terms energy: -211.593221
where:
bonds (distance) C4'-P energy: -62.219
bonds (distance) P-C4' energy: -56.504
flat angles C4'-P-C4' energy: -72.390
flat angles P-C4'-P energy: -25.482
tors. eta vs tors. theta energy: 5.002
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: 1
=====================================
Write number: 42
Temperature: 0.900000
Total energy: -1230.802435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1230.802435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1230.802435 (E_RNA)
where:
Base-Base interactions energy: -825.288
where: short stacking energy: -388.277
Base-Backbone interact. energy: 0.269
local terms energy: -405.784194
where:
bonds (distance) C4'-P energy: -85.702
bonds (distance) P-C4' energy: -82.071
flat angles C4'-P-C4' energy: -79.700
flat angles P-C4'-P energy: -56.016
tors. eta vs tors. theta energy: -102.295
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: 10
=====================================
Write number: 42
Temperature: 0.950000
Total energy: -1153.843515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1153.843515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1153.843515 (E_RNA)
where:
Base-Base interactions energy: -774.193
where: short stacking energy: -343.288
Base-Backbone interact. energy: -2.124
local terms energy: -377.526913
where:
bonds (distance) C4'-P energy: -81.149
bonds (distance) P-C4' energy: -62.087
flat angles C4'-P-C4' energy: -83.442
flat angles P-C4'-P energy: -59.288
tors. eta vs tors. theta energy: -91.561
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: 4
=====================================
Write number: 42
Temperature: 1.000000
Total energy: -1109.765453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1109.765453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1109.765453 (E_RNA)
where:
Base-Base interactions energy: -737.292
where: short stacking energy: -307.372
Base-Backbone interact. energy: -2.108
local terms energy: -370.365492
where:
bonds (distance) C4'-P energy: -76.766
bonds (distance) P-C4' energy: -79.224
flat angles C4'-P-C4' energy: -86.132
flat angles P-C4'-P energy: -47.722
tors. eta vs tors. theta energy: -80.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 42
Temperature: 1.050000
Total energy: -1027.362233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1027.362233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1027.362233 (E_RNA)
where:
Base-Base interactions energy: -687.000
where: short stacking energy: -299.089
Base-Backbone interact. energy: -3.320
local terms energy: -337.042216
where:
bonds (distance) C4'-P energy: -68.436
bonds (distance) P-C4' energy: -69.497
flat angles C4'-P-C4' energy: -68.409
flat angles P-C4'-P energy: -52.635
tors. eta vs tors. theta energy: -78.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 42
Temperature: 1.100000
Total energy: -961.513380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -961.513380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -961.513380 (E_RNA)
where:
Base-Base interactions energy: -611.433
where: short stacking energy: -294.292
Base-Backbone interact. energy: -2.432
local terms energy: -347.648753
where:
bonds (distance) C4'-P energy: -68.802
bonds (distance) P-C4' energy: -73.872
flat angles C4'-P-C4' energy: -76.281
flat angles P-C4'-P energy: -43.090
tors. eta vs tors. theta energy: -85.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 42
Temperature: 1.150000
Total energy: -821.924183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -821.924183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -821.924183 (E_RNA)
where:
Base-Base interactions energy: -514.531
where: short stacking energy: -217.625
Base-Backbone interact. energy: -1.178
local terms energy: -306.215691
where:
bonds (distance) C4'-P energy: -62.641
bonds (distance) P-C4' energy: -71.702
flat angles C4'-P-C4' energy: -79.431
flat angles P-C4'-P energy: -50.891
tors. eta vs tors. theta energy: -41.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 42
Temperature: 1.200000
Total energy: -725.501193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -725.501193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -725.501193 (E_RNA)
where:
Base-Base interactions energy: -442.743
where: short stacking energy: -212.744
Base-Backbone interact. energy: 1.281
local terms energy: -284.039935
where:
bonds (distance) C4'-P energy: -71.899
bonds (distance) P-C4' energy: -57.623
flat angles C4'-P-C4' energy: -64.243
flat angles P-C4'-P energy: -42.046
tors. eta vs tors. theta energy: -48.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 42
Temperature: 1.250000
Total energy: -603.549299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -603.549299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -603.549299 (E_RNA)
where:
Base-Base interactions energy: -348.683
where: short stacking energy: -182.865
Base-Backbone interact. energy: 0.980
local terms energy: -255.846405
where:
bonds (distance) C4'-P energy: -70.390
bonds (distance) P-C4' energy: -65.737
flat angles C4'-P-C4' energy: -54.816
flat angles P-C4'-P energy: -42.225
tors. eta vs tors. theta energy: -22.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 42
Temperature: 1.300000
Total energy: -490.475782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.475782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.475782 (E_RNA)
where:
Base-Base interactions energy: -273.863
where: short stacking energy: -132.663
Base-Backbone interact. energy: -0.773
local terms energy: -215.839550
where:
bonds (distance) C4'-P energy: -53.127
bonds (distance) P-C4' energy: -65.082
flat angles C4'-P-C4' energy: -50.249
flat angles P-C4'-P energy: -43.920
tors. eta vs tors. theta energy: -3.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 42
Temperature: 1.350000
Total energy: -452.844661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.844661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.844661 (E_RNA)
where:
Base-Base interactions energy: -223.039
where: short stacking energy: -115.670
Base-Backbone interact. energy: -0.123
local terms energy: -229.682215
where:
bonds (distance) C4'-P energy: -63.420
bonds (distance) P-C4' energy: -73.928
flat angles C4'-P-C4' energy: -56.632
flat angles P-C4'-P energy: -36.228
tors. eta vs tors. theta energy: 0.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 43
Temperature: 0.900000
Total energy: -1219.571320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1219.571320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1219.571320 (E_RNA)
where:
Base-Base interactions energy: -803.178
where: short stacking energy: -371.609
Base-Backbone interact. energy: -1.122
local terms energy: -415.271575
where:
bonds (distance) C4'-P energy: -75.909
bonds (distance) P-C4' energy: -95.542
flat angles C4'-P-C4' energy: -88.190
flat angles P-C4'-P energy: -50.808
tors. eta vs tors. theta energy: -104.822
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: 10
=====================================
Write number: 43
Temperature: 0.950000
Total energy: -1169.815411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1169.815411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1169.815411 (E_RNA)
where:
Base-Base interactions energy: -795.439
where: short stacking energy: -332.488
Base-Backbone interact. energy: -2.786
local terms energy: -371.590319
where:
bonds (distance) C4'-P energy: -72.181
bonds (distance) P-C4' energy: -83.392
flat angles C4'-P-C4' energy: -74.367
flat angles P-C4'-P energy: -51.987
tors. eta vs tors. theta energy: -89.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 43
Temperature: 1.000000
Total energy: -1091.013903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1091.013903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1091.013903 (E_RNA)
where:
Base-Base interactions energy: -744.590
where: short stacking energy: -320.000
Base-Backbone interact. energy: 1.156
local terms energy: -347.579873
where:
bonds (distance) C4'-P energy: -68.203
bonds (distance) P-C4' energy: -74.302
flat angles C4'-P-C4' energy: -85.266
flat angles P-C4'-P energy: -47.294
tors. eta vs tors. theta energy: -72.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 43
Temperature: 1.050000
Total energy: -988.764019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -988.764019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -988.764019 (E_RNA)
where:
Base-Base interactions energy: -636.918
where: short stacking energy: -283.886
Base-Backbone interact. energy: -1.696
local terms energy: -350.150603
where:
bonds (distance) C4'-P energy: -75.294
bonds (distance) P-C4' energy: -78.265
flat angles C4'-P-C4' energy: -70.159
flat angles P-C4'-P energy: -43.405
tors. eta vs tors. theta energy: -83.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 43
Temperature: 1.100000
Total energy: -996.862551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -996.862551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -996.862551 (E_RNA)
where:
Base-Base interactions energy: -649.155
where: short stacking energy: -294.337
Base-Backbone interact. energy: -0.222
local terms energy: -347.485313
where:
bonds (distance) C4'-P energy: -76.060
bonds (distance) P-C4' energy: -79.729
flat angles C4'-P-C4' energy: -78.927
flat angles P-C4'-P energy: -44.660
tors. eta vs tors. theta energy: -68.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 43
Temperature: 1.150000
Total energy: -802.316217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -802.316217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -802.316217 (E_RNA)
where:
Base-Base interactions energy: -485.963
where: short stacking energy: -242.833
Base-Backbone interact. energy: -1.405
local terms energy: -314.948394
where:
bonds (distance) C4'-P energy: -62.872
bonds (distance) P-C4' energy: -65.074
flat angles C4'-P-C4' energy: -80.367
flat angles P-C4'-P energy: -43.702
tors. eta vs tors. theta energy: -62.934
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: 5
=====================================
Write number: 43
Temperature: 1.200000
Total energy: -702.829419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -702.829419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -702.829419 (E_RNA)
where:
Base-Base interactions energy: -406.700
where: short stacking energy: -200.365
Base-Backbone interact. energy: -2.304
local terms energy: -293.825537
where:
bonds (distance) C4'-P energy: -63.036
bonds (distance) P-C4' energy: -62.415
flat angles C4'-P-C4' energy: -81.185
flat angles P-C4'-P energy: -46.966
tors. eta vs tors. theta energy: -40.224
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: 2
=====================================
Write number: 43
Temperature: 1.250000
Total energy: -613.183779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -613.183779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -613.183779 (E_RNA)
where:
Base-Base interactions energy: -354.999
where: short stacking energy: -176.273
Base-Backbone interact. energy: 1.460
local terms energy: -259.643984
where:
bonds (distance) C4'-P energy: -59.889
bonds (distance) P-C4' energy: -62.966
flat angles C4'-P-C4' energy: -64.684
flat angles P-C4'-P energy: -42.729
tors. eta vs tors. theta energy: -29.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 43
Temperature: 1.300000
Total energy: -464.959553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -464.959553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -464.959553 (E_RNA)
where:
Base-Base interactions energy: -236.574
where: short stacking energy: -118.474
Base-Backbone interact. energy: -0.943
local terms energy: -227.443334
where:
bonds (distance) C4'-P energy: -55.815
bonds (distance) P-C4' energy: -75.500
flat angles C4'-P-C4' energy: -58.843
flat angles P-C4'-P energy: -45.665
tors. eta vs tors. theta energy: 8.380
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: 8
=====================================
Write number: 43
Temperature: 1.350000
Total energy: -478.617403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.617403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.617403 (E_RNA)
where:
Base-Base interactions energy: -258.370
where: short stacking energy: -148.896
Base-Backbone interact. energy: 0.945
local terms energy: -221.192609
where:
bonds (distance) C4'-P energy: -55.400
bonds (distance) P-C4' energy: -69.086
flat angles C4'-P-C4' energy: -56.853
flat angles P-C4'-P energy: -28.490
tors. eta vs tors. theta energy: -11.364
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: 44
Temperature: 0.900000
Total energy: -1233.099209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1233.099209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1233.099209 (E_RNA)
where:
Base-Base interactions energy: -824.804
where: short stacking energy: -373.144
Base-Backbone interact. energy: -2.654
local terms energy: -405.641458
where:
bonds (distance) C4'-P energy: -76.329
bonds (distance) P-C4' energy: -87.112
flat angles C4'-P-C4' energy: -81.863
flat angles P-C4'-P energy: -58.399
tors. eta vs tors. theta energy: -101.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 44
Temperature: 0.950000
Total energy: -1184.956382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1184.956382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1184.956382 (E_RNA)
where:
Base-Base interactions energy: -804.887
where: short stacking energy: -368.144
Base-Backbone interact. energy: 0.707
local terms energy: -380.776393
where:
bonds (distance) C4'-P energy: -74.640
bonds (distance) P-C4' energy: -83.859
flat angles C4'-P-C4' energy: -82.209
flat angles P-C4'-P energy: -50.987
tors. eta vs tors. theta energy: -89.082
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: 3, replica: 4
=====================================
Write number: 44
Temperature: 1.000000
Total energy: -1117.344457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1117.344457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1117.344457 (E_RNA)
where:
Base-Base interactions energy: -741.658
where: short stacking energy: -317.084
Base-Backbone interact. energy: -2.190
local terms energy: -373.496922
where:
bonds (distance) C4'-P energy: -70.285
bonds (distance) P-C4' energy: -79.736
flat angles C4'-P-C4' energy: -74.821
flat angles P-C4'-P energy: -63.522
tors. eta vs tors. theta energy: -85.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 44
Temperature: 1.050000
Total energy: -1000.986740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1000.986740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1000.986740 (E_RNA)
where:
Base-Base interactions energy: -644.772
where: short stacking energy: -294.583
Base-Backbone interact. energy: -0.645
local terms energy: -355.569138
where:
bonds (distance) C4'-P energy: -86.776
bonds (distance) P-C4' energy: -55.301
flat angles C4'-P-C4' energy: -86.816
flat angles P-C4'-P energy: -48.394
tors. eta vs tors. theta energy: -78.283
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: 5, replica: 7
=====================================
Write number: 44
Temperature: 1.100000
Total energy: -982.247777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -982.247777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -982.247777 (E_RNA)
where:
Base-Base interactions energy: -662.245
where: short stacking energy: -283.644
Base-Backbone interact. energy: -1.004
local terms energy: -318.998748
where:
bonds (distance) C4'-P energy: -65.856
bonds (distance) P-C4' energy: -62.318
flat angles C4'-P-C4' energy: -78.240
flat angles P-C4'-P energy: -49.436
tors. eta vs tors. theta energy: -63.150
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: 6, replica: 3
=====================================
Write number: 44
Temperature: 1.150000
Total energy: -799.676021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -799.676021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -799.676021 (E_RNA)
where:
Base-Base interactions energy: -510.158
where: short stacking energy: -254.202
Base-Backbone interact. energy: -0.492
local terms energy: -289.026936
where:
bonds (distance) C4'-P energy: -60.798
bonds (distance) P-C4' energy: -66.318
flat angles C4'-P-C4' energy: -65.002
flat angles P-C4'-P energy: -47.829
tors. eta vs tors. theta energy: -49.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 44
Temperature: 1.200000
Total energy: -628.878547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -628.878547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -628.878547 (E_RNA)
where:
Base-Base interactions energy: -354.613
where: short stacking energy: -194.779
Base-Backbone interact. energy: 2.647
local terms energy: -276.912299
where:
bonds (distance) C4'-P energy: -67.118
bonds (distance) P-C4' energy: -66.298
flat angles C4'-P-C4' energy: -61.813
flat angles P-C4'-P energy: -50.651
tors. eta vs tors. theta energy: -31.032
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: 5
=====================================
Write number: 44
Temperature: 1.250000
Total energy: -677.939419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -677.939419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -677.939419 (E_RNA)
where:
Base-Base interactions energy: -420.427
where: short stacking energy: -225.405
Base-Backbone interact. energy: -0.692
local terms energy: -256.819817
where:
bonds (distance) C4'-P energy: -54.161
bonds (distance) P-C4' energy: -72.032
flat angles C4'-P-C4' energy: -57.375
flat angles P-C4'-P energy: -37.348
tors. eta vs tors. theta energy: -35.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 44
Temperature: 1.300000
Total energy: -493.702652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.702652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.702652 (E_RNA)
where:
Base-Base interactions energy: -242.809
where: short stacking energy: -141.866
Base-Backbone interact. energy: 2.724
local terms energy: -253.634281
where:
bonds (distance) C4'-P energy: -74.614
bonds (distance) P-C4' energy: -68.106
flat angles C4'-P-C4' energy: -68.608
flat angles P-C4'-P energy: -29.621
tors. eta vs tors. theta energy: -12.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.016 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 44
Temperature: 1.350000
Total energy: -437.492201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.492201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.492201 (E_RNA)
where:
Base-Base interactions energy: -208.722
where: short stacking energy: -118.807
Base-Backbone interact. energy: -0.393
local terms energy: -228.377206
where:
bonds (distance) C4'-P energy: -56.914
bonds (distance) P-C4' energy: -71.705
flat angles C4'-P-C4' energy: -51.037
flat angles P-C4'-P energy: -38.666
tors. eta vs tors. theta energy: -10.055
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: 1, replica: 1
=====================================
Write number: 45
Temperature: 0.900000
Total energy: -1215.974906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1215.974906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1215.974906 (E_RNA)
where:
Base-Base interactions energy: -824.605
where: short stacking energy: -387.712
Base-Backbone interact. energy: -1.584
local terms energy: -389.785636
where:
bonds (distance) C4'-P energy: -68.437
bonds (distance) P-C4' energy: -75.577
flat angles C4'-P-C4' energy: -85.675
flat angles P-C4'-P energy: -54.164
tors. eta vs tors. theta energy: -105.933
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: 2, replica: 10
=====================================
Write number: 45
Temperature: 0.950000
Total energy: -1185.749393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1185.749393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1185.749393 (E_RNA)
where:
Base-Base interactions energy: -809.504
where: short stacking energy: -338.677
Base-Backbone interact. energy: -0.887
local terms energy: -375.358913
where:
bonds (distance) C4'-P energy: -77.884
bonds (distance) P-C4' energy: -68.767
flat angles C4'-P-C4' energy: -74.996
flat angles P-C4'-P energy: -55.387
tors. eta vs tors. theta energy: -98.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 45
Temperature: 1.000000
Total energy: -1096.920908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1096.920908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1096.920908 (E_RNA)
where:
Base-Base interactions energy: -729.745
where: short stacking energy: -307.604
Base-Backbone interact. energy: -1.428
local terms energy: -365.747143
where:
bonds (distance) C4'-P energy: -67.386
bonds (distance) P-C4' energy: -88.140
flat angles C4'-P-C4' energy: -88.262
flat angles P-C4'-P energy: -50.364
tors. eta vs tors. theta energy: -71.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 45
Temperature: 1.050000
Total energy: -1037.936783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1037.936783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1037.936783 (E_RNA)
where:
Base-Base interactions energy: -701.040
where: short stacking energy: -298.085
Base-Backbone interact. energy: -2.616
local terms energy: -334.280811
where:
bonds (distance) C4'-P energy: -67.755
bonds (distance) P-C4' energy: -69.875
flat angles C4'-P-C4' energy: -70.561
flat angles P-C4'-P energy: -49.358
tors. eta vs tors. theta energy: -76.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 45
Temperature: 1.100000
Total energy: -995.156724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -995.156724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -995.156724 (E_RNA)
where:
Base-Base interactions energy: -636.289
where: short stacking energy: -302.151
Base-Backbone interact. energy: 0.145
local terms energy: -359.012725
where:
bonds (distance) C4'-P energy: -65.636
bonds (distance) P-C4' energy: -76.157
flat angles C4'-P-C4' energy: -85.862
flat angles P-C4'-P energy: -52.453
tors. eta vs tors. theta energy: -78.905
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: 45
Temperature: 1.150000
Total energy: -871.459185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -871.459185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -871.459185 (E_RNA)
where:
Base-Base interactions energy: -563.879
where: short stacking energy: -276.674
Base-Backbone interact. energy: -2.206
local terms energy: -305.374451
where:
bonds (distance) C4'-P energy: -65.872
bonds (distance) P-C4' energy: -73.339
flat angles C4'-P-C4' energy: -56.656
flat angles P-C4'-P energy: -46.612
tors. eta vs tors. theta energy: -62.894
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: 7, replica: 2
=====================================
Write number: 45
Temperature: 1.200000
Total energy: -633.252625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -633.252625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -633.252625 (E_RNA)
where:
Base-Base interactions energy: -386.630
where: short stacking energy: -204.087
Base-Backbone interact. energy: 0.147
local terms energy: -246.769261
where:
bonds (distance) C4'-P energy: -52.510
bonds (distance) P-C4' energy: -72.720
flat angles C4'-P-C4' energy: -65.696
flat angles P-C4'-P energy: -29.368
tors. eta vs tors. theta energy: -26.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 45
Temperature: 1.250000
Total energy: -655.675066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -655.675066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -655.675066 (E_RNA)
where:
Base-Base interactions energy: -360.970
where: short stacking energy: -199.371
Base-Backbone interact. energy: -0.629
local terms energy: -294.075556
where:
bonds (distance) C4'-P energy: -72.464
bonds (distance) P-C4' energy: -69.724
flat angles C4'-P-C4' energy: -62.568
flat angles P-C4'-P energy: -41.359
tors. eta vs tors. theta energy: -47.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 45
Temperature: 1.300000
Total energy: -488.845792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.845792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.845792 (E_RNA)
where:
Base-Base interactions energy: -269.640
where: short stacking energy: -157.254
Base-Backbone interact. energy: -2.607
local terms energy: -216.598514
where:
bonds (distance) C4'-P energy: -55.529
bonds (distance) P-C4' energy: -69.623
flat angles C4'-P-C4' energy: -41.502
flat angles P-C4'-P energy: -38.215
tors. eta vs tors. theta energy: -11.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 45
Temperature: 1.350000
Total energy: -420.978017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.978017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.978017 (E_RNA)
where:
Base-Base interactions energy: -170.440
where: short stacking energy: -105.287
Base-Backbone interact. energy: -2.110
local terms energy: -248.428069
where:
bonds (distance) C4'-P energy: -68.524
bonds (distance) P-C4' energy: -71.052
flat angles C4'-P-C4' energy: -70.020
flat angles P-C4'-P energy: -39.312
tors. eta vs tors. theta energy: 0.480
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: 10
=====================================
Write number: 46
Temperature: 0.900000
Total energy: -1202.391265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1202.391265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1202.391265 (E_RNA)
where:
Base-Base interactions energy: -811.225
where: short stacking energy: -358.699
Base-Backbone interact. energy: -1.855
local terms energy: -389.310577
where:
bonds (distance) C4'-P energy: -76.956
bonds (distance) P-C4' energy: -76.232
flat angles C4'-P-C4' energy: -85.433
flat angles P-C4'-P energy: -57.766
tors. eta vs tors. theta energy: -92.923
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: 1
=====================================
Write number: 46
Temperature: 0.950000
Total energy: -1175.900825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1175.900825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1175.900825 (E_RNA)
where:
Base-Base interactions energy: -775.539
where: short stacking energy: -342.183
Base-Backbone interact. energy: -2.319
local terms energy: -398.042949
where:
bonds (distance) C4'-P energy: -82.641
bonds (distance) P-C4' energy: -79.354
flat angles C4'-P-C4' energy: -87.852
flat angles P-C4'-P energy: -51.551
tors. eta vs tors. theta energy: -96.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 46
Temperature: 1.000000
Total energy: -1057.915919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1057.915919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1057.915919 (E_RNA)
where:
Base-Base interactions energy: -707.349
where: short stacking energy: -295.363
Base-Backbone interact. energy: -1.647
local terms energy: -348.920141
where:
bonds (distance) C4'-P energy: -73.037
bonds (distance) P-C4' energy: -79.491
flat angles C4'-P-C4' energy: -68.466
flat angles P-C4'-P energy: -60.110
tors. eta vs tors. theta energy: -67.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 46
Temperature: 1.050000
Total energy: -1077.433159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1077.433159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1077.433159 (E_RNA)
where:
Base-Base interactions energy: -721.304
where: short stacking energy: -314.195
Base-Backbone interact. energy: 0.249
local terms energy: -356.377695
where:
bonds (distance) C4'-P energy: -77.448
bonds (distance) P-C4' energy: -65.428
flat angles C4'-P-C4' energy: -68.001
flat angles P-C4'-P energy: -57.357
tors. eta vs tors. theta energy: -88.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 46
Temperature: 1.100000
Total energy: -992.197976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -992.197976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -992.197976 (E_RNA)
where:
Base-Base interactions energy: -651.909
where: short stacking energy: -296.103
Base-Backbone interact. energy: -0.911
local terms energy: -339.377624
where:
bonds (distance) C4'-P energy: -63.559
bonds (distance) P-C4' energy: -71.443
flat angles C4'-P-C4' energy: -75.053
flat angles P-C4'-P energy: -49.287
tors. eta vs tors. theta energy: -80.035
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: 6, replica: 3
=====================================
Write number: 46
Temperature: 1.150000
Total energy: -876.253904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -876.253904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -876.253904 (E_RNA)
where:
Base-Base interactions energy: -547.848
where: short stacking energy: -260.820
Base-Backbone interact. energy: -0.397
local terms energy: -328.008787
where:
bonds (distance) C4'-P energy: -65.116
bonds (distance) P-C4' energy: -80.522
flat angles C4'-P-C4' energy: -73.115
flat angles P-C4'-P energy: -50.808
tors. eta vs tors. theta energy: -58.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 46
Temperature: 1.200000
Total energy: -716.881765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -716.881765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -716.881765 (E_RNA)
where:
Base-Base interactions energy: -408.045
where: short stacking energy: -211.009
Base-Backbone interact. energy: 1.096
local terms energy: -309.932495
where:
bonds (distance) C4'-P energy: -61.198
bonds (distance) P-C4' energy: -77.150
flat angles C4'-P-C4' energy: -72.613
flat angles P-C4'-P energy: -51.164
tors. eta vs tors. theta energy: -47.807
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: 8, replica: 2
=====================================
Write number: 46
Temperature: 1.250000
Total energy: -634.005290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -634.005290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -634.005290 (E_RNA)
where:
Base-Base interactions energy: -370.374
where: short stacking energy: -186.400
Base-Backbone interact. energy: -3.163
local terms energy: -260.468225
where:
bonds (distance) C4'-P energy: -67.159
bonds (distance) P-C4' energy: -52.904
flat angles C4'-P-C4' energy: -65.176
flat angles P-C4'-P energy: -46.449
tors. eta vs tors. theta energy: -28.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 46
Temperature: 1.300000
Total energy: -478.764108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.764108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.764108 (E_RNA)
where:
Base-Base interactions energy: -244.618
where: short stacking energy: -122.896
Base-Backbone interact. energy: -1.894
local terms energy: -232.252796
where:
bonds (distance) C4'-P energy: -52.361
bonds (distance) P-C4' energy: -70.519
flat angles C4'-P-C4' energy: -57.916
flat angles P-C4'-P energy: -55.003
tors. eta vs tors. theta energy: 3.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 46
Temperature: 1.350000
Total energy: -402.310343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.310343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.310343 (E_RNA)
where:
Base-Base interactions energy: -173.913
where: short stacking energy: -114.852
Base-Backbone interact. energy: -1.192
local terms energy: -227.205399
where:
bonds (distance) C4'-P energy: -44.344
bonds (distance) P-C4' energy: -86.621
flat angles C4'-P-C4' energy: -51.669
flat angles P-C4'-P energy: -49.388
tors. eta vs tors. theta energy: 4.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 47
Temperature: 0.900000
Total energy: -1203.366586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1203.366586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1203.366586 (E_RNA)
where:
Base-Base interactions energy: -833.356
where: short stacking energy: -342.593
Base-Backbone interact. energy: -1.838
local terms energy: -368.173117
where:
bonds (distance) C4'-P energy: -72.184
bonds (distance) P-C4' energy: -65.914
flat angles C4'-P-C4' energy: -83.056
flat angles P-C4'-P energy: -54.175
tors. eta vs tors. theta energy: -92.844
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: 2, replica: 1
=====================================
Write number: 47
Temperature: 0.950000
Total energy: -1207.035648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1207.035648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1207.035648 (E_RNA)
where:
Base-Base interactions energy: -816.241
where: short stacking energy: -371.997
Base-Backbone interact. energy: -1.071
local terms energy: -389.723165
where:
bonds (distance) C4'-P energy: -74.683
bonds (distance) P-C4' energy: -70.009
flat angles C4'-P-C4' energy: -82.272
flat angles P-C4'-P energy: -58.472
tors. eta vs tors. theta energy: -104.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 47
Temperature: 1.000000
Total energy: -1092.945148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1092.945148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1092.945148 (E_RNA)
where:
Base-Base interactions energy: -746.112
where: short stacking energy: -325.476
Base-Backbone interact. energy: -0.757
local terms energy: -346.076155
where:
bonds (distance) C4'-P energy: -64.049
bonds (distance) P-C4' energy: -82.017
flat angles C4'-P-C4' energy: -81.268
flat angles P-C4'-P energy: -43.593
tors. eta vs tors. theta energy: -75.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 47
Temperature: 1.050000
Total energy: -1058.072511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1058.072511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1058.072511 (E_RNA)
where:
Base-Base interactions energy: -720.763
where: short stacking energy: -309.372
Base-Backbone interact. energy: 1.127
local terms energy: -338.436048
where:
bonds (distance) C4'-P energy: -80.403
bonds (distance) P-C4' energy: -58.101
flat angles C4'-P-C4' energy: -72.738
flat angles P-C4'-P energy: -49.912
tors. eta vs tors. theta energy: -77.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 47
Temperature: 1.100000
Total energy: -1029.557362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1029.557362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1029.557362 (E_RNA)
where:
Base-Base interactions energy: -688.197
where: short stacking energy: -319.730
Base-Backbone interact. energy: -3.930
local terms energy: -337.430496
where:
bonds (distance) C4'-P energy: -62.379
bonds (distance) P-C4' energy: -71.356
flat angles C4'-P-C4' energy: -78.159
flat angles P-C4'-P energy: -41.925
tors. eta vs tors. theta energy: -83.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 47
Temperature: 1.150000
Total energy: -898.479139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -898.479139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -898.479139 (E_RNA)
where:
Base-Base interactions energy: -561.238
where: short stacking energy: -271.528
Base-Backbone interact. energy: 1.380
local terms energy: -338.620773
where:
bonds (distance) C4'-P energy: -78.745
bonds (distance) P-C4' energy: -86.479
flat angles C4'-P-C4' energy: -73.081
flat angles P-C4'-P energy: -40.285
tors. eta vs tors. theta energy: -60.031
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: 5
=====================================
Write number: 47
Temperature: 1.200000
Total energy: -710.258053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -710.258053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -710.258053 (E_RNA)
where:
Base-Base interactions energy: -429.185
where: short stacking energy: -231.506
Base-Backbone interact. energy: 0.600
local terms energy: -281.673516
where:
bonds (distance) C4'-P energy: -59.174
bonds (distance) P-C4' energy: -62.726
flat angles C4'-P-C4' energy: -68.080
flat angles P-C4'-P energy: -36.863
tors. eta vs tors. theta energy: -54.830
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: 2
=====================================
Write number: 47
Temperature: 1.250000
Total energy: -684.653852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -684.653852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -684.653852 (E_RNA)
where:
Base-Base interactions energy: -413.504
where: short stacking energy: -209.273
Base-Backbone interact. energy: 0.810
local terms energy: -271.959829
where:
bonds (distance) C4'-P energy: -52.844
bonds (distance) P-C4' energy: -55.164
flat angles C4'-P-C4' energy: -75.981
flat angles P-C4'-P energy: -34.364
tors. eta vs tors. theta energy: -53.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 47
Temperature: 1.300000
Total energy: -503.638408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.638408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.638408 (E_RNA)
where:
Base-Base interactions energy: -270.556
where: short stacking energy: -150.978
Base-Backbone interact. energy: -2.902
local terms energy: -230.181245
where:
bonds (distance) C4'-P energy: -61.118
bonds (distance) P-C4' energy: -64.537
flat angles C4'-P-C4' energy: -61.900
flat angles P-C4'-P energy: -29.716
tors. eta vs tors. theta energy: -12.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 47
Temperature: 1.350000
Total energy: -393.438528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.438528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.438528 (E_RNA)
where:
Base-Base interactions energy: -200.106
where: short stacking energy: -126.965
Base-Backbone interact. energy: 1.443
local terms energy: -194.775667
where:
bonds (distance) C4'-P energy: -57.426
bonds (distance) P-C4' energy: -56.884
flat angles C4'-P-C4' energy: -58.639
flat angles P-C4'-P energy: -25.655
tors. eta vs tors. theta energy: 3.828
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: 1, replica: 1
=====================================
Write number: 48
Temperature: 0.900000
Total energy: -1204.240541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1204.240541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1204.240541 (E_RNA)
where:
Base-Base interactions energy: -803.129
where: short stacking energy: -375.687
Base-Backbone interact. energy: -0.544
local terms energy: -400.567803
where:
bonds (distance) C4'-P energy: -77.104
bonds (distance) P-C4' energy: -78.381
flat angles C4'-P-C4' energy: -85.330
flat angles P-C4'-P energy: -58.493
tors. eta vs tors. theta energy: -101.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 48
Temperature: 0.950000
Total energy: -1178.431082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1178.431082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1178.431082 (E_RNA)
where:
Base-Base interactions energy: -803.070
where: short stacking energy: -348.115
Base-Backbone interact. energy: -2.413
local terms energy: -372.948576
where:
bonds (distance) C4'-P energy: -67.735
bonds (distance) P-C4' energy: -73.113
flat angles C4'-P-C4' energy: -84.290
flat angles P-C4'-P energy: -55.692
tors. eta vs tors. theta energy: -92.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 48
Temperature: 1.000000
Total energy: -1105.426985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1105.426985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1105.426985 (E_RNA)
where:
Base-Base interactions energy: -734.119
where: short stacking energy: -321.378
Base-Backbone interact. energy: -1.370
local terms energy: -369.938048
where:
bonds (distance) C4'-P energy: -68.810
bonds (distance) P-C4' energy: -82.076
flat angles C4'-P-C4' energy: -76.903
flat angles P-C4'-P energy: -64.234
tors. eta vs tors. theta energy: -77.916
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: 4
=====================================
Write number: 48
Temperature: 1.050000
Total energy: -1054.068645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1054.068645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1054.068645 (E_RNA)
where:
Base-Base interactions energy: -703.890
where: short stacking energy: -306.409
Base-Backbone interact. energy: -0.475
local terms energy: -349.703781
where:
bonds (distance) C4'-P energy: -79.910
bonds (distance) P-C4' energy: -68.116
flat angles C4'-P-C4' energy: -69.845
flat angles P-C4'-P energy: -54.210
tors. eta vs tors. theta energy: -77.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 48
Temperature: 1.100000
Total energy: -1039.497000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1039.497000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1039.497000 (E_RNA)
where:
Base-Base interactions energy: -676.265
where: short stacking energy: -299.975
Base-Backbone interact. energy: -2.324
local terms energy: -360.907614
where:
bonds (distance) C4'-P energy: -74.160
bonds (distance) P-C4' energy: -74.503
flat angles C4'-P-C4' energy: -87.906
flat angles P-C4'-P energy: -44.871
tors. eta vs tors. theta energy: -79.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 48
Temperature: 1.150000
Total energy: -907.820274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -907.820274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -907.820274 (E_RNA)
where:
Base-Base interactions energy: -559.472
where: short stacking energy: -274.377
Base-Backbone interact. energy: -0.917
local terms energy: -348.419953
where:
bonds (distance) C4'-P energy: -58.202
bonds (distance) P-C4' energy: -86.667
flat angles C4'-P-C4' energy: -70.057
flat angles P-C4'-P energy: -61.589
tors. eta vs tors. theta energy: -71.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.989 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 48
Temperature: 1.200000
Total energy: -708.911188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -708.911188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -708.911188 (E_RNA)
where:
Base-Base interactions energy: -401.600
where: short stacking energy: -201.726
Base-Backbone interact. energy: -0.875
local terms energy: -306.436289
where:
bonds (distance) C4'-P energy: -65.026
bonds (distance) P-C4' energy: -72.498
flat angles C4'-P-C4' energy: -77.846
flat angles P-C4'-P energy: -46.531
tors. eta vs tors. theta energy: -44.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 48
Temperature: 1.250000
Total energy: -674.305400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -674.305400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -674.305400 (E_RNA)
where:
Base-Base interactions energy: -407.946
where: short stacking energy: -206.244
Base-Backbone interact. energy: -0.300
local terms energy: -266.059873
where:
bonds (distance) C4'-P energy: -55.528
bonds (distance) P-C4' energy: -63.672
flat angles C4'-P-C4' energy: -69.790
flat angles P-C4'-P energy: -35.085
tors. eta vs tors. theta energy: -41.984
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: 9, replica: 6
=====================================
Write number: 48
Temperature: 1.300000
Total energy: -573.059358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -573.059358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -573.059358 (E_RNA)
where:
Base-Base interactions energy: -323.340
where: short stacking energy: -164.855
Base-Backbone interact. energy: -0.261
local terms energy: -249.458544
where:
bonds (distance) C4'-P energy: -63.910
bonds (distance) P-C4' energy: -67.808
flat angles C4'-P-C4' energy: -61.642
flat angles P-C4'-P energy: -41.715
tors. eta vs tors. theta energy: -14.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 48
Temperature: 1.350000
Total energy: -394.845110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.845110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -394.845110 (E_RNA)
where:
Base-Base interactions energy: -174.910
where: short stacking energy: -114.433
Base-Backbone interact. energy: 1.944
local terms energy: -221.878965
where:
bonds (distance) C4'-P energy: -73.377
bonds (distance) P-C4' energy: -60.512
flat angles C4'-P-C4' energy: -68.993
flat angles P-C4'-P energy: -27.536
tors. eta vs tors. theta energy: 8.539
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: 1
=====================================
Write number: 49
Temperature: 0.900000
Total energy: -1216.102809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1216.102809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1216.102809 (E_RNA)
where:
Base-Base interactions energy: -811.467
where: short stacking energy: -372.234
Base-Backbone interact. energy: -4.093
local terms energy: -400.542137
where:
bonds (distance) C4'-P energy: -70.032
bonds (distance) P-C4' energy: -80.505
flat angles C4'-P-C4' energy: -84.773
flat angles P-C4'-P energy: -60.490
tors. eta vs tors. theta energy: -104.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 49
Temperature: 0.950000
Total energy: -1181.399534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1181.399534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1181.399534 (E_RNA)
where:
Base-Base interactions energy: -806.009
where: short stacking energy: -352.147
Base-Backbone interact. energy: -0.508
local terms energy: -374.882483
where:
bonds (distance) C4'-P energy: -81.581
bonds (distance) P-C4' energy: -69.489
flat angles C4'-P-C4' energy: -77.177
flat angles P-C4'-P energy: -49.275
tors. eta vs tors. theta energy: -97.361
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: 9
=====================================
Write number: 49
Temperature: 1.000000
Total energy: -1157.554359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1157.554359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1157.554359 (E_RNA)
where:
Base-Base interactions energy: -796.629
where: short stacking energy: -355.825
Base-Backbone interact. energy: 1.668
local terms energy: -362.592860
where:
bonds (distance) C4'-P energy: -65.882
bonds (distance) P-C4' energy: -83.617
flat angles C4'-P-C4' energy: -74.774
flat angles P-C4'-P energy: -52.775
tors. eta vs tors. theta energy: -85.545
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: 7
=====================================
Write number: 49
Temperature: 1.050000
Total energy: -1093.916256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1093.916256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1093.916256 (E_RNA)
where:
Base-Base interactions energy: -748.613
where: short stacking energy: -323.926
Base-Backbone interact. energy: 0.773
local terms energy: -346.075922
where:
bonds (distance) C4'-P energy: -72.740
bonds (distance) P-C4' energy: -68.155
flat angles C4'-P-C4' energy: -77.121
flat angles P-C4'-P energy: -52.207
tors. eta vs tors. theta energy: -75.853
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: 5, replica: 4
=====================================
Write number: 49
Temperature: 1.100000
Total energy: -1020.765150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1020.765150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1020.765150 (E_RNA)
where:
Base-Base interactions energy: -675.111
where: short stacking energy: -300.556
Base-Backbone interact. energy: 1.389
local terms energy: -347.043566
where:
bonds (distance) C4'-P energy: -72.920
bonds (distance) P-C4' energy: -75.154
flat angles C4'-P-C4' energy: -76.345
flat angles P-C4'-P energy: -44.391
tors. eta vs tors. theta energy: -78.233
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: 3
=====================================
Write number: 49
Temperature: 1.150000
Total energy: -907.419656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -907.419656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -907.419656 (E_RNA)
where:
Base-Base interactions energy: -585.113
where: short stacking energy: -289.326
Base-Backbone interact. energy: -0.394
local terms energy: -321.911930
where:
bonds (distance) C4'-P energy: -77.694
bonds (distance) P-C4' energy: -69.479
flat angles C4'-P-C4' energy: -58.910
flat angles P-C4'-P energy: -40.540
tors. eta vs tors. theta energy: -75.289
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: 5
=====================================
Write number: 49
Temperature: 1.200000
Total energy: -664.515114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -664.515114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -664.515114 (E_RNA)
where:
Base-Base interactions energy: -397.125
where: short stacking energy: -181.797
Base-Backbone interact. energy: -1.138
local terms energy: -266.252095
where:
bonds (distance) C4'-P energy: -66.479
bonds (distance) P-C4' energy: -69.407
flat angles C4'-P-C4' energy: -62.627
flat angles P-C4'-P energy: -44.315
tors. eta vs tors. theta energy: -23.425
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: 8, replica: 2
=====================================
Write number: 49
Temperature: 1.250000
Total energy: -683.101336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -683.101336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -683.101336 (E_RNA)
where:
Base-Base interactions energy: -393.638
where: short stacking energy: -206.092
Base-Backbone interact. energy: -0.754
local terms energy: -288.709527
where:
bonds (distance) C4'-P energy: -73.096
bonds (distance) P-C4' energy: -58.435
flat angles C4'-P-C4' energy: -66.115
flat angles P-C4'-P energy: -41.279
tors. eta vs tors. theta energy: -49.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 49
Temperature: 1.300000
Total energy: -562.007928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -562.007928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -562.007928 (E_RNA)
where:
Base-Base interactions energy: -308.239
where: short stacking energy: -148.125
Base-Backbone interact. energy: 2.766
local terms energy: -256.535599
where:
bonds (distance) C4'-P energy: -69.479
bonds (distance) P-C4' energy: -73.217
flat angles C4'-P-C4' energy: -63.843
flat angles P-C4'-P energy: -34.699
tors. eta vs tors. theta energy: -15.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 49
Temperature: 1.350000
Total energy: -382.723975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.723975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.723975 (E_RNA)
where:
Base-Base interactions energy: -179.994
where: short stacking energy: -115.064
Base-Backbone interact. energy: 1.823
local terms energy: -204.552983
where:
bonds (distance) C4'-P energy: -69.344
bonds (distance) P-C4' energy: -66.726
flat angles C4'-P-C4' energy: -57.344
flat angles P-C4'-P energy: -21.153
tors. eta vs tors. theta energy: 10.014
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: 50
Temperature: 0.900000
Total energy: -1201.828845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1201.828845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1201.828845 (E_RNA)
where:
Base-Base interactions energy: -800.315
where: short stacking energy: -366.792
Base-Backbone interact. energy: -4.796
local terms energy: -396.717492
where:
bonds (distance) C4'-P energy: -81.255
bonds (distance) P-C4' energy: -81.343
flat angles C4'-P-C4' energy: -79.322
flat angles P-C4'-P energy: -53.976
tors. eta vs tors. theta energy: -100.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 50
Temperature: 0.950000
Total energy: -1193.463597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1193.463597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1193.463597 (E_RNA)
where:
Base-Base interactions energy: -797.004
where: short stacking energy: -339.569
Base-Backbone interact. energy: -4.789
local terms energy: -391.671098
where:
bonds (distance) C4'-P energy: -66.274
bonds (distance) P-C4' energy: -80.380
flat angles C4'-P-C4' energy: -88.132
flat angles P-C4'-P energy: -58.730
tors. eta vs tors. theta energy: -98.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 50
Temperature: 1.000000
Total energy: -1149.858710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1149.858710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1149.858710 (E_RNA)
where:
Base-Base interactions energy: -786.404
where: short stacking energy: -347.628
Base-Backbone interact. energy: 0.618
local terms energy: -364.073595
where:
bonds (distance) C4'-P energy: -62.297
bonds (distance) P-C4' energy: -67.707
flat angles C4'-P-C4' energy: -94.596
flat angles P-C4'-P energy: -46.500
tors. eta vs tors. theta energy: -92.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 50
Temperature: 1.050000
Total energy: -1113.913417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1113.913417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1113.913417 (E_RNA)
where:
Base-Base interactions energy: -751.563
where: short stacking energy: -329.964
Base-Backbone interact. energy: -2.916
local terms energy: -359.434479
where:
bonds (distance) C4'-P energy: -57.059
bonds (distance) P-C4' energy: -69.201
flat angles C4'-P-C4' energy: -80.141
flat angles P-C4'-P energy: -57.399
tors. eta vs tors. theta energy: -95.635
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: 4
=====================================
Write number: 50
Temperature: 1.100000
Total energy: -994.700027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -994.700027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -994.700027 (E_RNA)
where:
Base-Base interactions energy: -655.550
where: short stacking energy: -275.128
Base-Backbone interact. energy: 0.350
local terms energy: -339.500265
where:
bonds (distance) C4'-P energy: -69.357
bonds (distance) P-C4' energy: -73.749
flat angles C4'-P-C4' energy: -80.317
flat angles P-C4'-P energy: -47.282
tors. eta vs tors. theta energy: -68.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 50
Temperature: 1.150000
Total energy: -873.657312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -873.657312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -873.657312 (E_RNA)
where:
Base-Base interactions energy: -563.083
where: short stacking energy: -263.590
Base-Backbone interact. energy: -1.259
local terms energy: -309.314905
where:
bonds (distance) C4'-P energy: -77.219
bonds (distance) P-C4' energy: -66.317
flat angles C4'-P-C4' energy: -61.636
flat angles P-C4'-P energy: -36.629
tors. eta vs tors. theta energy: -67.514
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: 5
=====================================
Write number: 50
Temperature: 1.200000
Total energy: -693.940573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -693.940573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -693.940573 (E_RNA)
where:
Base-Base interactions energy: -408.062
where: short stacking energy: -204.013
Base-Backbone interact. energy: -0.202
local terms energy: -285.676435
where:
bonds (distance) C4'-P energy: -55.536
bonds (distance) P-C4' energy: -76.192
flat angles C4'-P-C4' energy: -67.356
flat angles P-C4'-P energy: -45.158
tors. eta vs tors. theta energy: -41.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 50
Temperature: 1.250000
Total energy: -643.046543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -643.046543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -643.046543 (E_RNA)
where:
Base-Base interactions energy: -366.165
where: short stacking energy: -190.866
Base-Backbone interact. energy: 0.262
local terms energy: -277.143018
where:
bonds (distance) C4'-P energy: -65.025
bonds (distance) P-C4' energy: -71.343
flat angles C4'-P-C4' energy: -68.013
flat angles P-C4'-P energy: -37.538
tors. eta vs tors. theta energy: -35.224
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: 6
=====================================
Write number: 50
Temperature: 1.300000
Total energy: -552.258944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.258944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.258944 (E_RNA)
where:
Base-Base interactions energy: -307.469
where: short stacking energy: -170.380
Base-Backbone interact. energy: 3.916
local terms energy: -248.705944
where:
bonds (distance) C4'-P energy: -59.660
bonds (distance) P-C4' energy: -70.135
flat angles C4'-P-C4' energy: -47.945
flat angles P-C4'-P energy: -46.698
tors. eta vs tors. theta energy: -24.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 50
Temperature: 1.350000
Total energy: -418.575082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.575082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.575082 (E_RNA)
where:
Base-Base interactions energy: -212.064
where: short stacking energy: -125.030
Base-Backbone interact. energy: 2.077
local terms energy: -208.588013
where:
bonds (distance) C4'-P energy: -55.724
bonds (distance) P-C4' energy: -60.585
flat angles C4'-P-C4' energy: -58.141
flat angles P-C4'-P energy: -40.344
tors. eta vs tors. theta energy: 6.207
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: 10
=====================================
Write number: 51
Temperature: 0.900000
Total energy: -1221.302255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1221.302255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1221.302255 (E_RNA)
where:
Base-Base interactions energy: -818.477
where: short stacking energy: -361.209
Base-Backbone interact. energy: -1.311
local terms energy: -401.514811
where:
bonds (distance) C4'-P energy: -76.682
bonds (distance) P-C4' energy: -79.528
flat angles C4'-P-C4' energy: -84.527
flat angles P-C4'-P energy: -69.674
tors. eta vs tors. theta energy: -91.104
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: 2, replica: 1
=====================================
Write number: 51
Temperature: 0.950000
Total energy: -1211.708736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1211.708736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1211.708736 (E_RNA)
where:
Base-Base interactions energy: -818.538
where: short stacking energy: -335.968
Base-Backbone interact. energy: -3.974
local terms energy: -389.196520
where:
bonds (distance) C4'-P energy: -76.141
bonds (distance) P-C4' energy: -74.675
flat angles C4'-P-C4' energy: -85.479
flat angles P-C4'-P energy: -58.056
tors. eta vs tors. theta energy: -94.845
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: 9
=====================================
Write number: 51
Temperature: 1.000000
Total energy: -1182.211624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1182.211624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1182.211624 (E_RNA)
where:
Base-Base interactions energy: -810.945
where: short stacking energy: -344.462
Base-Backbone interact. energy: -1.812
local terms energy: -369.454349
where:
bonds (distance) C4'-P energy: -79.141
bonds (distance) P-C4' energy: -77.842
flat angles C4'-P-C4' energy: -79.072
flat angles P-C4'-P energy: -44.713
tors. eta vs tors. theta energy: -88.686
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: 4, replica: 7
=====================================
Write number: 51
Temperature: 1.050000
Total energy: -1167.201085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1167.201085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1167.201085 (E_RNA)
where:
Base-Base interactions energy: -786.422
where: short stacking energy: -358.646
Base-Backbone interact. energy: -1.798
local terms energy: -378.981285
where:
bonds (distance) C4'-P energy: -87.107
bonds (distance) P-C4' energy: -68.725
flat angles C4'-P-C4' energy: -79.212
flat angles P-C4'-P energy: -52.733
tors. eta vs tors. theta energy: -91.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 51
Temperature: 1.100000
Total energy: -1016.100491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1016.100491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1016.100491 (E_RNA)
where:
Base-Base interactions energy: -677.282
where: short stacking energy: -315.949
Base-Backbone interact. energy: 0.730
local terms energy: -339.549467
where:
bonds (distance) C4'-P energy: -75.630
bonds (distance) P-C4' energy: -75.490
flat angles C4'-P-C4' energy: -70.180
flat angles P-C4'-P energy: -36.667
tors. eta vs tors. theta energy: -81.582
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: 6, replica: 3
=====================================
Write number: 51
Temperature: 1.150000
Total energy: -878.124423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -878.124423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -878.124423 (E_RNA)
where:
Base-Base interactions energy: -556.969
where: short stacking energy: -266.390
Base-Backbone interact. energy: 1.421
local terms energy: -322.577110
where:
bonds (distance) C4'-P energy: -65.161
bonds (distance) P-C4' energy: -80.841
flat angles C4'-P-C4' energy: -65.970
flat angles P-C4'-P energy: -51.530
tors. eta vs tors. theta energy: -59.074
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: 5
=====================================
Write number: 51
Temperature: 1.200000
Total energy: -736.165492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -736.165492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -736.165492 (E_RNA)
where:
Base-Base interactions energy: -457.857
where: short stacking energy: -229.379
Base-Backbone interact. energy: -0.792
local terms energy: -277.516539
where:
bonds (distance) C4'-P energy: -58.383
bonds (distance) P-C4' energy: -66.131
flat angles C4'-P-C4' energy: -69.137
flat angles P-C4'-P energy: -42.646
tors. eta vs tors. theta energy: -41.219
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: 2
=====================================
Write number: 51
Temperature: 1.250000
Total energy: -643.103945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -643.103945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -643.103945 (E_RNA)
where:
Base-Base interactions energy: -376.583
where: short stacking energy: -206.894
Base-Backbone interact. energy: 0.471
local terms energy: -266.992404
where:
bonds (distance) C4'-P energy: -46.987
bonds (distance) P-C4' energy: -89.375
flat angles C4'-P-C4' energy: -63.651
flat angles P-C4'-P energy: -29.887
tors. eta vs tors. theta energy: -37.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 51
Temperature: 1.300000
Total energy: -533.673317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.673317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.673317 (E_RNA)
where:
Base-Base interactions energy: -281.098
where: short stacking energy: -134.584
Base-Backbone interact. energy: -0.685
local terms energy: -251.890211
where:
bonds (distance) C4'-P energy: -66.911
bonds (distance) P-C4' energy: -71.340
flat angles C4'-P-C4' energy: -70.390
flat angles P-C4'-P energy: -35.556
tors. eta vs tors. theta energy: -7.693
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: 8
=====================================
Write number: 51
Temperature: 1.350000
Total energy: -381.854625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.854625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.854625 (E_RNA)
where:
Base-Base interactions energy: -188.306
where: short stacking energy: -116.446
Base-Backbone interact. energy: 3.717
local terms energy: -197.265904
where:
bonds (distance) C4'-P energy: -58.863
bonds (distance) P-C4' energy: -54.819
flat angles C4'-P-C4' energy: -60.740
flat angles P-C4'-P energy: -31.524
tors. eta vs tors. theta energy: 8.681
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: 1
=====================================
Write number: 52
Temperature: 0.900000
Total energy: -1257.356943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1257.356943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1257.356943 (E_RNA)
where:
Base-Base interactions energy: -842.448
where: short stacking energy: -376.700
Base-Backbone interact. energy: -3.844
local terms energy: -411.064001
where:
bonds (distance) C4'-P energy: -80.885
bonds (distance) P-C4' energy: -84.773
flat angles C4'-P-C4' energy: -90.647
flat angles P-C4'-P energy: -56.621
tors. eta vs tors. theta energy: -98.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 52
Temperature: 0.950000
Total energy: -1206.294406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1206.294406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1206.294406 (E_RNA)
where:
Base-Base interactions energy: -846.368
where: short stacking energy: -365.752
Base-Backbone interact. energy: -2.114
local terms energy: -357.812563
where:
bonds (distance) C4'-P energy: -65.791
bonds (distance) P-C4' energy: -67.527
flat angles C4'-P-C4' energy: -71.771
flat angles P-C4'-P energy: -56.177
tors. eta vs tors. theta energy: -96.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 52
Temperature: 1.000000
Total energy: -1148.927076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1148.927076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1148.927076 (E_RNA)
where:
Base-Base interactions energy: -765.111
where: short stacking energy: -346.600
Base-Backbone interact. energy: 1.984
local terms energy: -385.799306
where:
bonds (distance) C4'-P energy: -76.759
bonds (distance) P-C4' energy: -80.237
flat angles C4'-P-C4' energy: -80.732
flat angles P-C4'-P energy: -55.477
tors. eta vs tors. theta energy: -92.595
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: 7
=====================================
Write number: 52
Temperature: 1.050000
Total energy: -1123.848982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1123.848982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1123.848982 (E_RNA)
where:
Base-Base interactions energy: -753.722
where: short stacking energy: -329.406
Base-Backbone interact. energy: 2.195
local terms energy: -372.321533
where:
bonds (distance) C4'-P energy: -80.124
bonds (distance) P-C4' energy: -69.847
flat angles C4'-P-C4' energy: -81.847
flat angles P-C4'-P energy: -59.380
tors. eta vs tors. theta energy: -81.124
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: 4
=====================================
Write number: 52
Temperature: 1.100000
Total energy: -971.216991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -971.216991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -971.216991 (E_RNA)
where:
Base-Base interactions energy: -654.619
where: short stacking energy: -295.220
Base-Backbone interact. energy: -1.583
local terms energy: -315.015225
where:
bonds (distance) C4'-P energy: -59.171
bonds (distance) P-C4' energy: -68.581
flat angles C4'-P-C4' energy: -66.393
flat angles P-C4'-P energy: -53.560
tors. eta vs tors. theta energy: -67.310
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: 3
=====================================
Write number: 52
Temperature: 1.150000
Total energy: -879.515979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -879.515979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -879.515979 (E_RNA)
where:
Base-Base interactions energy: -559.480
where: short stacking energy: -269.895
Base-Backbone interact. energy: 1.599
local terms energy: -321.634138
where:
bonds (distance) C4'-P energy: -56.923
bonds (distance) P-C4' energy: -84.329
flat angles C4'-P-C4' energy: -79.203
flat angles P-C4'-P energy: -43.047
tors. eta vs tors. theta energy: -58.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 52
Temperature: 1.200000
Total energy: -693.232458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -693.232458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -693.232458 (E_RNA)
where:
Base-Base interactions energy: -390.177
where: short stacking energy: -202.947
Base-Backbone interact. energy: -1.045
local terms energy: -302.010767
where:
bonds (distance) C4'-P energy: -67.502
bonds (distance) P-C4' energy: -73.681
flat angles C4'-P-C4' energy: -71.389
flat angles P-C4'-P energy: -39.912
tors. eta vs tors. theta energy: -49.527
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: 5
=====================================
Write number: 52
Temperature: 1.250000
Total energy: -700.444459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -700.444459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -700.444459 (E_RNA)
where:
Base-Base interactions energy: -433.969
where: short stacking energy: -208.630
Base-Backbone interact. energy: -2.022
local terms energy: -264.453497
where:
bonds (distance) C4'-P energy: -50.543
bonds (distance) P-C4' energy: -65.063
flat angles C4'-P-C4' energy: -69.205
flat angles P-C4'-P energy: -40.287
tors. eta vs tors. theta energy: -39.356
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: 6
=====================================
Write number: 52
Temperature: 1.300000
Total energy: -547.204782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.204782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.204782 (E_RNA)
where:
Base-Base interactions energy: -301.036
where: short stacking energy: -152.152
Base-Backbone interact. energy: 0.885
local terms energy: -247.054025
where:
bonds (distance) C4'-P energy: -49.028
bonds (distance) P-C4' energy: -74.715
flat angles C4'-P-C4' energy: -61.722
flat angles P-C4'-P energy: -43.947
tors. eta vs tors. theta energy: -17.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 52
Temperature: 1.350000
Total energy: -392.417545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.417545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.417545 (E_RNA)
where:
Base-Base interactions energy: -185.950
where: short stacking energy: -118.794
Base-Backbone interact. energy: 3.926
local terms energy: -210.393481
where:
bonds (distance) C4'-P energy: -54.964
bonds (distance) P-C4' energy: -74.413
flat angles C4'-P-C4' energy: -56.808
flat angles P-C4'-P energy: -32.041
tors. eta vs tors. theta energy: 7.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 53
Temperature: 0.900000
Total energy: -1248.195351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1248.195351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1248.195351 (E_RNA)
where:
Base-Base interactions energy: -836.717
where: short stacking energy: -373.470
Base-Backbone interact. energy: -2.705
local terms energy: -408.773186
where:
bonds (distance) C4'-P energy: -84.363
bonds (distance) P-C4' energy: -79.527
flat angles C4'-P-C4' energy: -84.497
flat angles P-C4'-P energy: -55.907
tors. eta vs tors. theta energy: -104.480
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: 9
=====================================
Write number: 53
Temperature: 0.950000
Total energy: -1187.210527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1187.210527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1187.210527 (E_RNA)
where:
Base-Base interactions energy: -806.496
where: short stacking energy: -347.877
Base-Backbone interact. energy: -0.798
local terms energy: -379.916385
where:
bonds (distance) C4'-P energy: -84.118
bonds (distance) P-C4' energy: -69.917
flat angles C4'-P-C4' energy: -75.560
flat angles P-C4'-P energy: -61.652
tors. eta vs tors. theta energy: -88.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 53
Temperature: 1.000000
Total energy: -1172.541355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1172.541355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1172.541355 (E_RNA)
where:
Base-Base interactions energy: -809.130
where: short stacking energy: -332.198
Base-Backbone interact. energy: -0.597
local terms energy: -362.814458
where:
bonds (distance) C4'-P energy: -66.762
bonds (distance) P-C4' energy: -73.524
flat angles C4'-P-C4' energy: -79.409
flat angles P-C4'-P energy: -49.866
tors. eta vs tors. theta energy: -93.254
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: 7
=====================================
Write number: 53
Temperature: 1.050000
Total energy: -1091.672383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1091.672383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1091.672383 (E_RNA)
where:
Base-Base interactions energy: -722.259
where: short stacking energy: -314.275
Base-Backbone interact. energy: -1.491
local terms energy: -367.921932
where:
bonds (distance) C4'-P energy: -71.245
bonds (distance) P-C4' energy: -77.914
flat angles C4'-P-C4' energy: -76.912
flat angles P-C4'-P energy: -55.034
tors. eta vs tors. theta energy: -86.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 53
Temperature: 1.100000
Total energy: -1007.138372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1007.138372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1007.138372 (E_RNA)
where:
Base-Base interactions energy: -701.802
where: short stacking energy: -310.016
Base-Backbone interact. energy: 2.105
local terms energy: -307.441519
where:
bonds (distance) C4'-P energy: -52.048
bonds (distance) P-C4' energy: -63.426
flat angles C4'-P-C4' energy: -73.184
flat angles P-C4'-P energy: -45.037
tors. eta vs tors. theta energy: -73.747
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: 3
=====================================
Write number: 53
Temperature: 1.150000
Total energy: -907.249381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -907.249381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -907.249381 (E_RNA)
where:
Base-Base interactions energy: -587.410
where: short stacking energy: -270.316
Base-Backbone interact. energy: 0.414
local terms energy: -320.253684
where:
bonds (distance) C4'-P energy: -76.719
bonds (distance) P-C4' energy: -68.289
flat angles C4'-P-C4' energy: -69.488
flat angles P-C4'-P energy: -40.763
tors. eta vs tors. theta energy: -64.996
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: 2
=====================================
Write number: 53
Temperature: 1.200000
Total energy: -732.071575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -732.071575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -732.071575 (E_RNA)
where:
Base-Base interactions energy: -442.737
where: short stacking energy: -221.443
Base-Backbone interact. energy: -1.854
local terms energy: -287.480099
where:
bonds (distance) C4'-P energy: -63.027
bonds (distance) P-C4' energy: -75.513
flat angles C4'-P-C4' energy: -67.194
flat angles P-C4'-P energy: -36.746
tors. eta vs tors. theta energy: -44.999
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: 8, replica: 5
=====================================
Write number: 53
Temperature: 1.250000
Total energy: -709.489075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -709.489075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -709.489075 (E_RNA)
where:
Base-Base interactions energy: -450.205
where: short stacking energy: -215.057
Base-Backbone interact. energy: -2.172
local terms energy: -257.112744
where:
bonds (distance) C4'-P energy: -57.013
bonds (distance) P-C4' energy: -63.894
flat angles C4'-P-C4' energy: -58.072
flat angles P-C4'-P energy: -40.190
tors. eta vs tors. theta energy: -37.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 53
Temperature: 1.300000
Total energy: -586.020667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -586.020667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -586.020667 (E_RNA)
where:
Base-Base interactions energy: -333.173
where: short stacking energy: -182.756
Base-Backbone interact. energy: 2.268
local terms energy: -255.115614
where:
bonds (distance) C4'-P energy: -62.381
bonds (distance) P-C4' energy: -68.944
flat angles C4'-P-C4' energy: -65.438
flat angles P-C4'-P energy: -32.944
tors. eta vs tors. theta energy: -25.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 53
Temperature: 1.350000
Total energy: -405.818789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.818789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.818789 (E_RNA)
where:
Base-Base interactions energy: -224.475
where: short stacking energy: -115.817
Base-Backbone interact. energy: -2.729
local terms energy: -178.614730
where:
bonds (distance) C4'-P energy: -59.942
bonds (distance) P-C4' energy: -59.025
flat angles C4'-P-C4' energy: -48.907
flat angles P-C4'-P energy: -19.625
tors. eta vs tors. theta energy: 8.885
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: 1
=====================================
Write number: 54
Temperature: 0.900000
Total energy: -1245.005359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1245.005359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1245.005359 (E_RNA)
where:
Base-Base interactions energy: -838.957
where: short stacking energy: -376.957
Base-Backbone interact. energy: -3.445
local terms energy: -402.603796
where:
bonds (distance) C4'-P energy: -85.706
bonds (distance) P-C4' energy: -72.757
flat angles C4'-P-C4' energy: -95.435
flat angles P-C4'-P energy: -50.171
tors. eta vs tors. theta energy: -98.535
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: 9
=====================================
Write number: 54
Temperature: 0.950000
Total energy: -1224.555929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1224.555929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1224.555929 (E_RNA)
where:
Base-Base interactions energy: -817.018
where: short stacking energy: -351.590
Base-Backbone interact. energy: -0.072
local terms energy: -407.465478
where:
bonds (distance) C4'-P energy: -79.975
bonds (distance) P-C4' energy: -81.516
flat angles C4'-P-C4' energy: -90.031
flat angles P-C4'-P energy: -56.337
tors. eta vs tors. theta energy: -99.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 54
Temperature: 1.000000
Total energy: -1225.619836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1225.619836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1225.619836 (E_RNA)
where:
Base-Base interactions energy: -837.805
where: short stacking energy: -354.706
Base-Backbone interact. energy: -1.218
local terms energy: -386.596637
where:
bonds (distance) C4'-P energy: -64.770
bonds (distance) P-C4' energy: -81.036
flat angles C4'-P-C4' energy: -79.656
flat angles P-C4'-P energy: -60.221
tors. eta vs tors. theta energy: -100.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 54
Temperature: 1.050000
Total energy: -1093.975329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1093.975329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1093.975329 (E_RNA)
where:
Base-Base interactions energy: -752.084
where: short stacking energy: -319.151
Base-Backbone interact. energy: -2.843
local terms energy: -339.048171
where:
bonds (distance) C4'-P energy: -64.677
bonds (distance) P-C4' energy: -49.582
flat angles C4'-P-C4' energy: -86.638
flat angles P-C4'-P energy: -65.773
tors. eta vs tors. theta energy: -72.378
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: 4
=====================================
Write number: 54
Temperature: 1.100000
Total energy: -1001.268577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1001.268577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1001.268577 (E_RNA)
where:
Base-Base interactions energy: -661.451
where: short stacking energy: -300.628
Base-Backbone interact. energy: -0.476
local terms energy: -339.341714
where:
bonds (distance) C4'-P energy: -68.242
bonds (distance) P-C4' energy: -74.828
flat angles C4'-P-C4' energy: -71.010
flat angles P-C4'-P energy: -47.325
tors. eta vs tors. theta energy: -77.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 54
Temperature: 1.150000
Total energy: -933.605142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -933.605142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -933.605142 (E_RNA)
where:
Base-Base interactions energy: -586.747
where: short stacking energy: -281.258
Base-Backbone interact. energy: -1.023
local terms energy: -345.834354
where:
bonds (distance) C4'-P energy: -58.044
bonds (distance) P-C4' energy: -78.881
flat angles C4'-P-C4' energy: -79.295
flat angles P-C4'-P energy: -57.477
tors. eta vs tors. theta energy: -72.138
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: 7, replica: 5
=====================================
Write number: 54
Temperature: 1.200000
Total energy: -765.411627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -765.411627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -765.411627 (E_RNA)
where:
Base-Base interactions energy: -465.385
where: short stacking energy: -232.294
Base-Backbone interact. energy: -1.659
local terms energy: -298.367628
where:
bonds (distance) C4'-P energy: -58.073
bonds (distance) P-C4' energy: -73.291
flat angles C4'-P-C4' energy: -61.771
flat angles P-C4'-P energy: -50.255
tors. eta vs tors. theta energy: -54.978
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: 2
=====================================
Write number: 54
Temperature: 1.250000
Total energy: -710.392043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -710.392043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -710.392043 (E_RNA)
where:
Base-Base interactions energy: -437.765
where: short stacking energy: -194.859
Base-Backbone interact. energy: -1.239
local terms energy: -271.388126
where:
bonds (distance) C4'-P energy: -66.341
bonds (distance) P-C4' energy: -77.919
flat angles C4'-P-C4' energy: -75.545
flat angles P-C4'-P energy: -31.047
tors. eta vs tors. theta energy: -20.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 54
Temperature: 1.300000
Total energy: -577.303749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -577.303749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -577.303749 (E_RNA)
where:
Base-Base interactions energy: -313.998
where: short stacking energy: -188.287
Base-Backbone interact. energy: -1.287
local terms energy: -262.018490
where:
bonds (distance) C4'-P energy: -65.486
bonds (distance) P-C4' energy: -68.202
flat angles C4'-P-C4' energy: -50.941
flat angles P-C4'-P energy: -42.884
tors. eta vs tors. theta energy: -34.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 54
Temperature: 1.350000
Total energy: -473.342094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.342094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.342094 (E_RNA)
where:
Base-Base interactions energy: -231.882
where: short stacking energy: -141.705
Base-Backbone interact. energy: 5.741
local terms energy: -247.201890
where:
bonds (distance) C4'-P energy: -58.995
bonds (distance) P-C4' energy: -66.160
flat angles C4'-P-C4' energy: -59.706
flat angles P-C4'-P energy: -41.419
tors. eta vs tors. theta energy: -20.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 55
Temperature: 0.900000
Total energy: -1242.928464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1242.928464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1242.928464 (E_RNA)
where:
Base-Base interactions energy: -842.370
where: short stacking energy: -356.978
Base-Backbone interact. energy: -3.283
local terms energy: -397.275474
where:
bonds (distance) C4'-P energy: -82.664
bonds (distance) P-C4' energy: -82.791
flat angles C4'-P-C4' energy: -88.176
flat angles P-C4'-P energy: -51.079
tors. eta vs tors. theta energy: -92.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 55
Temperature: 0.950000
Total energy: -1212.139996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1212.139996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1212.139996 (E_RNA)
where:
Base-Base interactions energy: -818.867
where: short stacking energy: -345.533
Base-Backbone interact. energy: -2.680
local terms energy: -390.592931
where:
bonds (distance) C4'-P energy: -82.792
bonds (distance) P-C4' energy: -73.796
flat angles C4'-P-C4' energy: -82.901
flat angles P-C4'-P energy: -58.502
tors. eta vs tors. theta energy: -92.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 55
Temperature: 1.000000
Total energy: -1187.534147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1187.534147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1187.534147 (E_RNA)
where:
Base-Base interactions energy: -800.870
where: short stacking energy: -356.128
Base-Backbone interact. energy: -2.169
local terms energy: -384.496041
where:
bonds (distance) C4'-P energy: -62.022
bonds (distance) P-C4' energy: -82.919
flat angles C4'-P-C4' energy: -82.433
flat angles P-C4'-P energy: -50.943
tors. eta vs tors. theta energy: -106.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 55
Temperature: 1.050000
Total energy: -1108.872658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1108.872658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1108.872658 (E_RNA)
where:
Base-Base interactions energy: -729.847
where: short stacking energy: -325.688
Base-Backbone interact. energy: -1.592
local terms energy: -377.433871
where:
bonds (distance) C4'-P energy: -77.786
bonds (distance) P-C4' energy: -71.050
flat angles C4'-P-C4' energy: -82.307
flat angles P-C4'-P energy: -57.259
tors. eta vs tors. theta energy: -89.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 55
Temperature: 1.100000
Total energy: -1014.518189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1014.518189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1014.518189 (E_RNA)
where:
Base-Base interactions energy: -674.780
where: short stacking energy: -280.387
Base-Backbone interact. energy: -0.301
local terms energy: -339.436825
where:
bonds (distance) C4'-P energy: -74.264
bonds (distance) P-C4' energy: -63.830
flat angles C4'-P-C4' energy: -79.686
flat angles P-C4'-P energy: -52.855
tors. eta vs tors. theta energy: -68.801
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: 55
Temperature: 1.150000
Total energy: -943.953460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -943.953460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -943.953460 (E_RNA)
where:
Base-Base interactions energy: -602.796
where: short stacking energy: -285.498
Base-Backbone interact. energy: -1.238
local terms energy: -339.919334
where:
bonds (distance) C4'-P energy: -66.574
bonds (distance) P-C4' energy: -73.625
flat angles C4'-P-C4' energy: -73.412
flat angles P-C4'-P energy: -49.856
tors. eta vs tors. theta energy: -76.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 55
Temperature: 1.200000
Total energy: -749.050861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -749.050861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -749.050861 (E_RNA)
where:
Base-Base interactions energy: -441.866
where: short stacking energy: -216.312
Base-Backbone interact. energy: -0.930
local terms energy: -306.310497
where:
bonds (distance) C4'-P energy: -67.885
bonds (distance) P-C4' energy: -63.667
flat angles C4'-P-C4' energy: -75.750
flat angles P-C4'-P energy: -54.823
tors. eta vs tors. theta energy: -44.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.055 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 55
Temperature: 1.250000
Total energy: -701.985141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -701.985141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -701.985141 (E_RNA)
where:
Base-Base interactions energy: -421.104
where: short stacking energy: -200.267
Base-Backbone interact. energy: -0.706
local terms energy: -280.175152
where:
bonds (distance) C4'-P energy: -65.243
bonds (distance) P-C4' energy: -78.260
flat angles C4'-P-C4' energy: -68.539
flat angles P-C4'-P energy: -35.914
tors. eta vs tors. theta energy: -32.219
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: 6
=====================================
Write number: 55
Temperature: 1.300000
Total energy: -571.850267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -571.850267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -571.850267 (E_RNA)
where:
Base-Base interactions energy: -307.225
where: short stacking energy: -166.074
Base-Backbone interact. energy: -0.097
local terms energy: -264.528343
where:
bonds (distance) C4'-P energy: -59.521
bonds (distance) P-C4' energy: -67.847
flat angles C4'-P-C4' energy: -73.123
flat angles P-C4'-P energy: -35.033
tors. eta vs tors. theta energy: -29.004
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: 10, replica: 8
=====================================
Write number: 55
Temperature: 1.350000
Total energy: -444.843716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.843716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.843716 (E_RNA)
where:
Base-Base interactions energy: -213.494
where: short stacking energy: -117.405
Base-Backbone interact. energy: 0.386
local terms energy: -231.735453
where:
bonds (distance) C4'-P energy: -54.672
bonds (distance) P-C4' energy: -67.820
flat angles C4'-P-C4' energy: -65.644
flat angles P-C4'-P energy: -34.348
tors. eta vs tors. theta energy: -9.251
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: 1, replica: 1
=====================================
Write number: 56
Temperature: 0.900000
Total energy: -1240.794833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1240.794833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1240.794833 (E_RNA)
where:
Base-Base interactions energy: -841.730
where: short stacking energy: -363.679
Base-Backbone interact. energy: -2.449
local terms energy: -396.616228
where:
bonds (distance) C4'-P energy: -76.608
bonds (distance) P-C4' energy: -73.432
flat angles C4'-P-C4' energy: -86.697
flat angles P-C4'-P energy: -55.024
tors. eta vs tors. theta energy: -104.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 56
Temperature: 0.950000
Total energy: -1205.105101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1205.105101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1205.105101 (E_RNA)
where:
Base-Base interactions energy: -817.675
where: short stacking energy: -372.063
Base-Backbone interact. energy: -2.660
local terms energy: -384.769451
where:
bonds (distance) C4'-P energy: -72.254
bonds (distance) P-C4' energy: -80.970
flat angles C4'-P-C4' energy: -85.666
flat angles P-C4'-P energy: -57.843
tors. eta vs tors. theta energy: -88.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 56
Temperature: 1.000000
Total energy: -1194.124677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1194.124677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1194.124677 (E_RNA)
where:
Base-Base interactions energy: -809.479
where: short stacking energy: -339.794
Base-Backbone interact. energy: 2.427
local terms energy: -387.072209
where:
bonds (distance) C4'-P energy: -67.692
bonds (distance) P-C4' energy: -71.477
flat angles C4'-P-C4' energy: -87.775
flat angles P-C4'-P energy: -60.820
tors. eta vs tors. theta energy: -99.309
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: 7
=====================================
Write number: 56
Temperature: 1.050000
Total energy: -1150.332796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1150.332796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1150.332796 (E_RNA)
where:
Base-Base interactions energy: -772.036
where: short stacking energy: -366.945
Base-Backbone interact. energy: -0.749
local terms energy: -378.145839
where:
bonds (distance) C4'-P energy: -71.897
bonds (distance) P-C4' energy: -75.744
flat angles C4'-P-C4' energy: -74.581
flat angles P-C4'-P energy: -58.706
tors. eta vs tors. theta energy: -97.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.598 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 56
Temperature: 1.100000
Total energy: -1001.548142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1001.548142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1001.548142 (E_RNA)
where:
Base-Base interactions energy: -670.030
where: short stacking energy: -313.785
Base-Backbone interact. energy: -0.431
local terms energy: -331.087087
where:
bonds (distance) C4'-P energy: -58.035
bonds (distance) P-C4' energy: -71.634
flat angles C4'-P-C4' energy: -76.848
flat angles P-C4'-P energy: -51.284
tors. eta vs tors. theta energy: -73.285
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: 6, replica: 4
=====================================
Write number: 56
Temperature: 1.150000
Total energy: -941.266454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -941.266454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -941.266454 (E_RNA)
where:
Base-Base interactions energy: -616.828
where: short stacking energy: -277.181
Base-Backbone interact. energy: -1.969
local terms energy: -322.468938
where:
bonds (distance) C4'-P energy: -61.784
bonds (distance) P-C4' energy: -61.662
flat angles C4'-P-C4' energy: -80.197
flat angles P-C4'-P energy: -44.648
tors. eta vs tors. theta energy: -74.178
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: 7, replica: 2
=====================================
Write number: 56
Temperature: 1.200000
Total energy: -712.194945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -712.194945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -712.194945 (E_RNA)
where:
Base-Base interactions energy: -448.019
where: short stacking energy: -224.854
Base-Backbone interact. energy: 2.703
local terms energy: -266.878677
where:
bonds (distance) C4'-P energy: -72.387
bonds (distance) P-C4' energy: -60.407
flat angles C4'-P-C4' energy: -56.251
flat angles P-C4'-P energy: -40.221
tors. eta vs tors. theta energy: -37.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 56
Temperature: 1.250000
Total energy: -709.979251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -709.979251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -709.979251 (E_RNA)
where:
Base-Base interactions energy: -428.221
where: short stacking energy: -205.256
Base-Backbone interact. energy: 2.508
local terms energy: -284.266132
where:
bonds (distance) C4'-P energy: -58.505
bonds (distance) P-C4' energy: -75.796
flat angles C4'-P-C4' energy: -67.310
flat angles P-C4'-P energy: -42.890
tors. eta vs tors. theta energy: -39.765
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: 6
=====================================
Write number: 56
Temperature: 1.300000
Total energy: -533.602308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.602308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.602308 (E_RNA)
where:
Base-Base interactions energy: -273.982
where: short stacking energy: -148.938
Base-Backbone interact. energy: -0.853
local terms energy: -258.766671
where:
bonds (distance) C4'-P energy: -65.996
bonds (distance) P-C4' energy: -73.980
flat angles C4'-P-C4' energy: -61.158
flat angles P-C4'-P energy: -41.897
tors. eta vs tors. theta energy: -15.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 56
Temperature: 1.350000
Total energy: -404.713540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.713540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.713540 (E_RNA)
where:
Base-Base interactions energy: -186.962
where: short stacking energy: -119.763
Base-Backbone interact. energy: 2.817
local terms energy: -220.568757
where:
bonds (distance) C4'-P energy: -49.028
bonds (distance) P-C4' energy: -76.418
flat angles C4'-P-C4' energy: -64.048
flat angles P-C4'-P energy: -37.865
tors. eta vs tors. theta energy: 6.790
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: 1
=====================================
Write number: 57
Temperature: 0.900000
Total energy: -1241.061406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1241.061406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1241.061406 (E_RNA)
where:
Base-Base interactions energy: -851.058
where: short stacking energy: -385.681
Base-Backbone interact. energy: -0.594
local terms energy: -389.409915
where:
bonds (distance) C4'-P energy: -76.066
bonds (distance) P-C4' energy: -77.525
flat angles C4'-P-C4' energy: -79.539
flat angles P-C4'-P energy: -53.885
tors. eta vs tors. theta energy: -102.396
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: 10
=====================================
Write number: 57
Temperature: 0.950000
Total energy: -1195.370845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1195.370845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1195.370845 (E_RNA)
where:
Base-Base interactions energy: -788.418
where: short stacking energy: -339.739
Base-Backbone interact. energy: -2.605
local terms energy: -404.347771
where:
bonds (distance) C4'-P energy: -77.261
bonds (distance) P-C4' energy: -89.135
flat angles C4'-P-C4' energy: -85.005
flat angles P-C4'-P energy: -61.393
tors. eta vs tors. theta energy: -91.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 57
Temperature: 1.000000
Total energy: -1188.440853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1188.440853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1188.440853 (E_RNA)
where:
Base-Base interactions energy: -807.874
where: short stacking energy: -366.228
Base-Backbone interact. energy: -0.353
local terms energy: -380.214044
where:
bonds (distance) C4'-P energy: -71.820
bonds (distance) P-C4' energy: -69.862
flat angles C4'-P-C4' energy: -85.161
flat angles P-C4'-P energy: -54.650
tors. eta vs tors. theta energy: -98.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 57
Temperature: 1.050000
Total energy: -1089.332023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1089.332023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1089.332023 (E_RNA)
where:
Base-Base interactions energy: -713.570
where: short stacking energy: -325.831
Base-Backbone interact. energy: -1.718
local terms energy: -374.043800
where:
bonds (distance) C4'-P energy: -58.731
bonds (distance) P-C4' energy: -84.826
flat angles C4'-P-C4' energy: -91.298
flat angles P-C4'-P energy: -59.577
tors. eta vs tors. theta energy: -79.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 57
Temperature: 1.100000
Total energy: -1046.971520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1046.971520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1046.971520 (E_RNA)
where:
Base-Base interactions energy: -690.822
where: short stacking energy: -323.487
Base-Backbone interact. energy: -1.097
local terms energy: -355.052951
where:
bonds (distance) C4'-P energy: -74.738
bonds (distance) P-C4' energy: -66.193
flat angles C4'-P-C4' energy: -77.715
flat angles P-C4'-P energy: -52.827
tors. eta vs tors. theta energy: -83.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 57
Temperature: 1.150000
Total energy: -960.547496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -960.547496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -960.547496 (E_RNA)
where:
Base-Base interactions energy: -639.807
where: short stacking energy: -292.613
Base-Backbone interact. energy: -0.837
local terms energy: -319.903858
where:
bonds (distance) C4'-P energy: -64.964
bonds (distance) P-C4' energy: -63.733
flat angles C4'-P-C4' energy: -70.383
flat angles P-C4'-P energy: -51.472
tors. eta vs tors. theta energy: -69.351
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: 2
=====================================
Write number: 57
Temperature: 1.200000
Total energy: -738.008417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -738.008417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -738.008417 (E_RNA)
where:
Base-Base interactions energy: -458.030
where: short stacking energy: -253.384
Base-Backbone interact. energy: -2.004
local terms energy: -277.973801
where:
bonds (distance) C4'-P energy: -48.721
bonds (distance) P-C4' energy: -72.843
flat angles C4'-P-C4' energy: -59.738
flat angles P-C4'-P energy: -41.695
tors. eta vs tors. theta energy: -54.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 57
Temperature: 1.250000
Total energy: -652.774312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -652.774312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -652.774312 (E_RNA)
where:
Base-Base interactions energy: -393.594
where: short stacking energy: -202.105
Base-Backbone interact. energy: 0.539
local terms energy: -259.719810
where:
bonds (distance) C4'-P energy: -65.172
bonds (distance) P-C4' energy: -64.048
flat angles C4'-P-C4' energy: -54.408
flat angles P-C4'-P energy: -36.552
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: 9, replica: 6
=====================================
Write number: 57
Temperature: 1.300000
Total energy: -539.082391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.082391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.082391 (E_RNA)
where:
Base-Base interactions energy: -286.903
where: short stacking energy: -130.584
Base-Backbone interact. energy: -0.474
local terms energy: -251.705432
where:
bonds (distance) C4'-P energy: -70.635
bonds (distance) P-C4' energy: -51.692
flat angles C4'-P-C4' energy: -71.886
flat angles P-C4'-P energy: -29.573
tors. eta vs tors. theta energy: -27.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 57
Temperature: 1.350000
Total energy: -391.211754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.211754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.211754 (E_RNA)
where:
Base-Base interactions energy: -205.393
where: short stacking energy: -127.375
Base-Backbone interact. energy: 4.650
local terms energy: -190.468894
where:
bonds (distance) C4'-P energy: -48.876
bonds (distance) P-C4' energy: -62.429
flat angles C4'-P-C4' energy: -48.281
flat angles P-C4'-P energy: -40.704
tors. eta vs tors. theta energy: 9.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 58
Temperature: 0.900000
Total energy: -1215.882914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1215.882914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1215.882914 (E_RNA)
where:
Base-Base interactions energy: -829.761
where: short stacking energy: -382.520
Base-Backbone interact. energy: -0.210
local terms energy: -385.911446
where:
bonds (distance) C4'-P energy: -73.460
bonds (distance) P-C4' energy: -77.317
flat angles C4'-P-C4' energy: -75.989
flat angles P-C4'-P energy: -56.775
tors. eta vs tors. theta energy: -102.371
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: 10
=====================================
Write number: 58
Temperature: 0.950000
Total energy: -1209.421429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1209.421429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1209.421429 (E_RNA)
where:
Base-Base interactions energy: -842.748
where: short stacking energy: -359.343
Base-Backbone interact. energy: -0.227
local terms energy: -366.445954
where:
bonds (distance) C4'-P energy: -71.877
bonds (distance) P-C4' energy: -74.677
flat angles C4'-P-C4' energy: -79.384
flat angles P-C4'-P energy: -47.699
tors. eta vs tors. theta energy: -92.809
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: 9
=====================================
Write number: 58
Temperature: 1.000000
Total energy: -1170.496887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1170.496887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1170.496887 (E_RNA)
where:
Base-Base interactions energy: -782.970
where: short stacking energy: -322.093
Base-Backbone interact. energy: 1.181
local terms energy: -388.707646
where:
bonds (distance) C4'-P energy: -76.170
bonds (distance) P-C4' energy: -86.854
flat angles C4'-P-C4' energy: -78.556
flat angles P-C4'-P energy: -63.534
tors. eta vs tors. theta energy: -83.594
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: 7
=====================================
Write number: 58
Temperature: 1.050000
Total energy: -1113.140533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1113.140533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1113.140533 (E_RNA)
where:
Base-Base interactions energy: -746.233
where: short stacking energy: -344.426
Base-Backbone interact. energy: -0.422
local terms energy: -366.485039
where:
bonds (distance) C4'-P energy: -63.430
bonds (distance) P-C4' energy: -78.460
flat angles C4'-P-C4' energy: -72.514
flat angles P-C4'-P energy: -55.200
tors. eta vs tors. theta energy: -96.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 58
Temperature: 1.100000
Total energy: -1076.614320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1076.614320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1076.614320 (E_RNA)
where:
Base-Base interactions energy: -724.167
where: short stacking energy: -318.173
Base-Backbone interact. energy: -0.973
local terms energy: -351.474695
where:
bonds (distance) C4'-P energy: -71.900
bonds (distance) P-C4' energy: -74.571
flat angles C4'-P-C4' energy: -70.753
flat angles P-C4'-P energy: -46.367
tors. eta vs tors. theta energy: -87.883
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: 4
=====================================
Write number: 58
Temperature: 1.150000
Total energy: -936.308184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -936.308184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -936.308184 (E_RNA)
where:
Base-Base interactions energy: -620.371
where: short stacking energy: -269.217
Base-Backbone interact. energy: -1.560
local terms energy: -314.376624
where:
bonds (distance) C4'-P energy: -63.460
bonds (distance) P-C4' energy: -72.788
flat angles C4'-P-C4' energy: -71.036
flat angles P-C4'-P energy: -45.763
tors. eta vs tors. theta energy: -61.330
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: 7, replica: 5
=====================================
Write number: 58
Temperature: 1.200000
Total energy: -716.611179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -716.611179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -716.611179 (E_RNA)
where:
Base-Base interactions energy: -456.626
where: short stacking energy: -236.052
Base-Backbone interact. energy: -2.947
local terms energy: -257.038034
where:
bonds (distance) C4'-P energy: -63.701
bonds (distance) P-C4' energy: -63.678
flat angles C4'-P-C4' energy: -59.574
flat angles P-C4'-P energy: -27.374
tors. eta vs tors. theta energy: -42.711
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: 2
=====================================
Write number: 58
Temperature: 1.250000
Total energy: -736.673709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -736.673709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -736.673709 (E_RNA)
where:
Base-Base interactions energy: -457.966
where: short stacking energy: -207.719
Base-Backbone interact. energy: -0.134
local terms energy: -278.574395
where:
bonds (distance) C4'-P energy: -61.158
bonds (distance) P-C4' energy: -75.705
flat angles C4'-P-C4' energy: -68.507
flat angles P-C4'-P energy: -40.445
tors. eta vs tors. theta energy: -32.760
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: 9, replica: 6
=====================================
Write number: 58
Temperature: 1.300000
Total energy: -583.646184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -583.646184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -583.646184 (E_RNA)
where:
Base-Base interactions energy: -347.746
where: short stacking energy: -168.896
Base-Backbone interact. energy: 0.101
local terms energy: -236.001125
where:
bonds (distance) C4'-P energy: -64.553
bonds (distance) P-C4' energy: -73.362
flat angles C4'-P-C4' energy: -55.386
flat angles P-C4'-P energy: -31.718
tors. eta vs tors. theta energy: -10.982
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: 10, replica: 8
=====================================
Write number: 58
Temperature: 1.350000
Total energy: -418.818493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.818493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.818493 (E_RNA)
where:
Base-Base interactions energy: -207.908
where: short stacking energy: -121.178
Base-Backbone interact. energy: -1.200
local terms energy: -209.709927
where:
bonds (distance) C4'-P energy: -58.838
bonds (distance) P-C4' energy: -65.865
flat angles C4'-P-C4' energy: -50.172
flat angles P-C4'-P energy: -34.623
tors. eta vs tors. theta energy: -0.212
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: 1
=====================================
Write number: 59
Temperature: 0.900000
Total energy: -1245.835883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1245.835883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1245.835883 (E_RNA)
where:
Base-Base interactions energy: -843.664
where: short stacking energy: -373.243
Base-Backbone interact. energy: -0.981
local terms energy: -401.190929
where:
bonds (distance) C4'-P energy: -81.911
bonds (distance) P-C4' energy: -86.279
flat angles C4'-P-C4' energy: -83.546
flat angles P-C4'-P energy: -45.768
tors. eta vs tors. theta energy: -103.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 59
Temperature: 0.950000
Total energy: -1169.372164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1169.372164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1169.372164 (E_RNA)
where:
Base-Base interactions energy: -791.225
where: short stacking energy: -348.457
Base-Backbone interact. energy: -1.555
local terms energy: -376.592503
where:
bonds (distance) C4'-P energy: -70.982
bonds (distance) P-C4' energy: -73.891
flat angles C4'-P-C4' energy: -77.886
flat angles P-C4'-P energy: -61.385
tors. eta vs tors. theta energy: -92.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 59
Temperature: 1.000000
Total energy: -1186.780296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1186.780296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1186.780296 (E_RNA)
where:
Base-Base interactions energy: -836.084
where: short stacking energy: -345.068
Base-Backbone interact. energy: -1.403
local terms energy: -349.292942
where:
bonds (distance) C4'-P energy: -74.250
bonds (distance) P-C4' energy: -69.128
flat angles C4'-P-C4' energy: -73.878
flat angles P-C4'-P energy: -46.172
tors. eta vs tors. theta energy: -85.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 59
Temperature: 1.050000
Total energy: -1114.902524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1114.902524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1114.902524 (E_RNA)
where:
Base-Base interactions energy: -728.188
where: short stacking energy: -358.531
Base-Backbone interact. energy: -1.106
local terms energy: -386.040469
where:
bonds (distance) C4'-P energy: -82.441
bonds (distance) P-C4' energy: -72.928
flat angles C4'-P-C4' energy: -79.029
flat angles P-C4'-P energy: -48.148
tors. eta vs tors. theta energy: -103.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.432 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 59
Temperature: 1.100000
Total energy: -1078.744776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1078.744776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1078.744776 (E_RNA)
where:
Base-Base interactions energy: -714.202
where: short stacking energy: -333.515
Base-Backbone interact. energy: 4.221
local terms energy: -368.763145
where:
bonds (distance) C4'-P energy: -74.883
bonds (distance) P-C4' energy: -64.047
flat angles C4'-P-C4' energy: -88.405
flat angles P-C4'-P energy: -58.608
tors. eta vs tors. theta energy: -82.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 59
Temperature: 1.150000
Total energy: -938.899857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -938.899857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -938.899857 (E_RNA)
where:
Base-Base interactions energy: -601.038
where: short stacking energy: -274.133
Base-Backbone interact. energy: -2.939
local terms energy: -334.922996
where:
bonds (distance) C4'-P energy: -73.764
bonds (distance) P-C4' energy: -78.197
flat angles C4'-P-C4' energy: -62.577
flat angles P-C4'-P energy: -51.862
tors. eta vs tors. theta energy: -68.522
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: 5
=====================================
Write number: 59
Temperature: 1.200000
Total energy: -772.988757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -772.988757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -772.988757 (E_RNA)
where:
Base-Base interactions energy: -473.819
where: short stacking energy: -244.937
Base-Backbone interact. energy: 4.548
local terms energy: -303.718303
where:
bonds (distance) C4'-P energy: -63.834
bonds (distance) P-C4' energy: -78.196
flat angles C4'-P-C4' energy: -75.927
flat angles P-C4'-P energy: -36.488
tors. eta vs tors. theta energy: -49.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 59
Temperature: 1.250000
Total energy: -704.948209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -704.948209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -704.948209 (E_RNA)
where:
Base-Base interactions energy: -432.318
where: short stacking energy: -205.845
Base-Backbone interact. energy: 4.060
local terms energy: -276.689504
where:
bonds (distance) C4'-P energy: -57.509
bonds (distance) P-C4' energy: -74.721
flat angles C4'-P-C4' energy: -65.022
flat angles P-C4'-P energy: -32.033
tors. eta vs tors. theta energy: -47.405
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: 6
=====================================
Write number: 59
Temperature: 1.300000
Total energy: -540.330543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.330543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.330543 (E_RNA)
where:
Base-Base interactions energy: -286.949
where: short stacking energy: -148.395
Base-Backbone interact. energy: -2.082
local terms energy: -251.299729
where:
bonds (distance) C4'-P energy: -55.718
bonds (distance) P-C4' energy: -84.530
flat angles C4'-P-C4' energy: -65.451
flat angles P-C4'-P energy: -34.764
tors. eta vs tors. theta energy: -10.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 59
Temperature: 1.350000
Total energy: -433.178486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -433.178486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -433.178486 (E_RNA)
where:
Base-Base interactions energy: -193.220
where: short stacking energy: -103.117
Base-Backbone interact. energy: -0.215
local terms energy: -239.743444
where:
bonds (distance) C4'-P energy: -56.922
bonds (distance) P-C4' energy: -82.927
flat angles C4'-P-C4' energy: -56.310
flat angles P-C4'-P energy: -45.341
tors. eta vs tors. theta energy: 1.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 60
Temperature: 0.900000
Total energy: -1242.734826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1242.734826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1242.734826 (E_RNA)
where:
Base-Base interactions energy: -849.315
where: short stacking energy: -372.664
Base-Backbone interact. energy: -0.773
local terms energy: -392.647625
where:
bonds (distance) C4'-P energy: -76.477
bonds (distance) P-C4' energy: -79.348
flat angles C4'-P-C4' energy: -81.241
flat angles P-C4'-P energy: -56.923
tors. eta vs tors. theta energy: -98.659
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: 1
=====================================
Write number: 60
Temperature: 0.950000
Total energy: -1221.410075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1221.410075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1221.410075 (E_RNA)
where:
Base-Base interactions energy: -828.863
where: short stacking energy: -351.042
Base-Backbone interact. energy: 1.413
local terms energy: -393.960283
where:
bonds (distance) C4'-P energy: -76.305
bonds (distance) P-C4' energy: -86.015
flat angles C4'-P-C4' energy: -78.833
flat angles P-C4'-P energy: -55.275
tors. eta vs tors. theta energy: -97.533
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: 10
=====================================
Write number: 60
Temperature: 1.000000
Total energy: -1184.005550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1184.005550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1184.005550 (E_RNA)
where:
Base-Base interactions energy: -805.076
where: short stacking energy: -335.733
Base-Backbone interact. energy: -0.680
local terms energy: -378.250439
where:
bonds (distance) C4'-P energy: -74.316
bonds (distance) P-C4' energy: -78.796
flat angles C4'-P-C4' energy: -85.867
flat angles P-C4'-P energy: -47.682
tors. eta vs tors. theta energy: -91.588
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: 7
=====================================
Write number: 60
Temperature: 1.050000
Total energy: -1101.533220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1101.533220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1101.533220 (E_RNA)
where:
Base-Base interactions energy: -720.996
where: short stacking energy: -345.220
Base-Backbone interact. energy: -0.643
local terms energy: -379.894275
where:
bonds (distance) C4'-P energy: -71.937
bonds (distance) P-C4' energy: -68.337
flat angles C4'-P-C4' energy: -85.001
flat angles P-C4'-P energy: -56.313
tors. eta vs tors. theta energy: -98.307
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: 3
=====================================
Write number: 60
Temperature: 1.100000
Total energy: -1007.390082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1007.390082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1007.390082 (E_RNA)
where:
Base-Base interactions energy: -660.103
where: short stacking energy: -302.094
Base-Backbone interact. energy: 1.085
local terms energy: -348.371698
where:
bonds (distance) C4'-P energy: -73.054
bonds (distance) P-C4' energy: -74.495
flat angles C4'-P-C4' energy: -75.150
flat angles P-C4'-P energy: -42.739
tors. eta vs tors. theta energy: -82.933
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: 4
=====================================
Write number: 60
Temperature: 1.150000
Total energy: -931.400980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -931.400980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -931.400980 (E_RNA)
where:
Base-Base interactions energy: -617.459
where: short stacking energy: -269.898
Base-Backbone interact. energy: 2.914
local terms energy: -316.856115
where:
bonds (distance) C4'-P energy: -64.363
bonds (distance) P-C4' energy: -59.374
flat angles C4'-P-C4' energy: -74.281
flat angles P-C4'-P energy: -47.973
tors. eta vs tors. theta energy: -70.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 60
Temperature: 1.200000
Total energy: -753.585006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -753.585006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -753.585006 (E_RNA)
where:
Base-Base interactions energy: -485.226
where: short stacking energy: -207.935
Base-Backbone interact. energy: -1.102
local terms energy: -267.256424
where:
bonds (distance) C4'-P energy: -58.484
bonds (distance) P-C4' energy: -61.400
flat angles C4'-P-C4' energy: -60.284
flat angles P-C4'-P energy: -39.859
tors. eta vs tors. theta energy: -47.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 60
Temperature: 1.250000
Total energy: -708.050127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -708.050127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -708.050127 (E_RNA)
where:
Base-Base interactions energy: -411.423
where: short stacking energy: -192.809
Base-Backbone interact. energy: -1.713
local terms energy: -295.463572
where:
bonds (distance) C4'-P energy: -68.529
bonds (distance) P-C4' energy: -78.645
flat angles C4'-P-C4' energy: -65.256
flat angles P-C4'-P energy: -47.191
tors. eta vs tors. theta energy: -35.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.549 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 60
Temperature: 1.300000
Total energy: -557.999468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.999468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.999468 (E_RNA)
where:
Base-Base interactions energy: -327.944
where: short stacking energy: -150.978
Base-Backbone interact. energy: -2.319
local terms energy: -227.736175
where:
bonds (distance) C4'-P energy: -53.436
bonds (distance) P-C4' energy: -69.012
flat angles C4'-P-C4' energy: -50.451
flat angles P-C4'-P energy: -31.419
tors. eta vs tors. theta energy: -23.418
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: 10, replica: 8
=====================================
Write number: 60
Temperature: 1.350000
Total energy: -397.317992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.317992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -397.317992 (E_RNA)
where:
Base-Base interactions energy: -162.227
where: short stacking energy: -105.164
Base-Backbone interact. energy: 5.217
local terms energy: -240.308212
where:
bonds (distance) C4'-P energy: -66.159
bonds (distance) P-C4' energy: -71.721
flat angles C4'-P-C4' energy: -63.446
flat angles P-C4'-P energy: -49.733
tors. eta vs tors. theta energy: 10.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 61
Temperature: 0.900000
Total energy: -1235.678756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1235.678756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1235.678756 (E_RNA)
where:
Base-Base interactions energy: -824.474
where: short stacking energy: -380.990
Base-Backbone interact. energy: 0.167
local terms energy: -411.371678
where:
bonds (distance) C4'-P energy: -75.543
bonds (distance) P-C4' energy: -75.934
flat angles C4'-P-C4' energy: -86.273
flat angles P-C4'-P energy: -64.552
tors. eta vs tors. theta energy: -109.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 61
Temperature: 0.950000
Total energy: -1202.768268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1202.768268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1202.768268 (E_RNA)
where:
Base-Base interactions energy: -811.795
where: short stacking energy: -354.282
Base-Backbone interact. energy: -0.976
local terms energy: -389.997125
where:
bonds (distance) C4'-P energy: -72.484
bonds (distance) P-C4' energy: -85.719
flat angles C4'-P-C4' energy: -79.302
flat angles P-C4'-P energy: -51.704
tors. eta vs tors. theta energy: -100.788
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: 10
=====================================
Write number: 61
Temperature: 1.000000
Total energy: -1182.710925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1182.710925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1182.710925 (E_RNA)
where:
Base-Base interactions energy: -780.336
where: short stacking energy: -322.713
Base-Backbone interact. energy: -1.912
local terms energy: -400.462167
where:
bonds (distance) C4'-P energy: -76.972
bonds (distance) P-C4' energy: -82.368
flat angles C4'-P-C4' energy: -86.048
flat angles P-C4'-P energy: -67.672
tors. eta vs tors. theta energy: -87.402
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: 7
=====================================
Write number: 61
Temperature: 1.050000
Total energy: -1073.522432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1073.522432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1073.522432 (E_RNA)
where:
Base-Base interactions energy: -718.399
where: short stacking energy: -317.586
Base-Backbone interact. energy: 0.827
local terms energy: -355.950154
where:
bonds (distance) C4'-P energy: -68.694
bonds (distance) P-C4' energy: -61.362
flat angles C4'-P-C4' energy: -86.444
flat angles P-C4'-P energy: -57.265
tors. eta vs tors. theta energy: -82.185
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: 3
=====================================
Write number: 61
Temperature: 1.100000
Total energy: -1034.041253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1034.041253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1034.041253 (E_RNA)
where:
Base-Base interactions energy: -679.408
where: short stacking energy: -339.330
Base-Backbone interact. energy: 1.070
local terms energy: -355.702685
where:
bonds (distance) C4'-P energy: -66.870
bonds (distance) P-C4' energy: -77.458
flat angles C4'-P-C4' energy: -73.257
flat angles P-C4'-P energy: -44.048
tors. eta vs tors. theta energy: -94.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 61
Temperature: 1.150000
Total energy: -949.513168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -949.513168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -949.513168 (E_RNA)
where:
Base-Base interactions energy: -623.736
where: short stacking energy: -287.195
Base-Backbone interact. energy: 0.320
local terms energy: -326.097544
where:
bonds (distance) C4'-P energy: -62.265
bonds (distance) P-C4' energy: -83.999
flat angles C4'-P-C4' energy: -70.969
flat angles P-C4'-P energy: -46.270
tors. eta vs tors. theta energy: -62.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 61
Temperature: 1.200000
Total energy: -723.053476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -723.053476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -723.053476 (E_RNA)
where:
Base-Base interactions energy: -440.838
where: short stacking energy: -216.176
Base-Backbone interact. energy: -0.733
local terms energy: -281.482801
where:
bonds (distance) C4'-P energy: -62.487
bonds (distance) P-C4' energy: -78.512
flat angles C4'-P-C4' energy: -61.282
flat angles P-C4'-P energy: -37.765
tors. eta vs tors. theta energy: -41.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 61
Temperature: 1.250000
Total energy: -669.163708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -669.163708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -669.163708 (E_RNA)
where:
Base-Base interactions energy: -391.299
where: short stacking energy: -193.861
Base-Backbone interact. energy: -2.152
local terms energy: -277.111548
where:
bonds (distance) C4'-P energy: -54.164
bonds (distance) P-C4' energy: -75.167
flat angles C4'-P-C4' energy: -68.939
flat angles P-C4'-P energy: -39.504
tors. eta vs tors. theta energy: -39.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.399 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 61
Temperature: 1.300000
Total energy: -560.239073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.239073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.239073 (E_RNA)
where:
Base-Base interactions energy: -315.333
where: short stacking energy: -156.878
Base-Backbone interact. energy: -2.022
local terms energy: -242.883896
where:
bonds (distance) C4'-P energy: -63.124
bonds (distance) P-C4' energy: -68.778
flat angles C4'-P-C4' energy: -62.698
flat angles P-C4'-P energy: -32.446
tors. eta vs tors. theta energy: -15.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 61
Temperature: 1.350000
Total energy: -392.179967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.179967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.179967 (E_RNA)
where:
Base-Base interactions energy: -189.035
where: short stacking energy: -105.763
Base-Backbone interact. energy: -0.484
local terms energy: -202.660572
where:
bonds (distance) C4'-P energy: -54.274
bonds (distance) P-C4' energy: -69.727
flat angles C4'-P-C4' energy: -64.916
flat angles P-C4'-P energy: -31.035
tors. eta vs tors. theta energy: 17.291
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: 9
=====================================
Write number: 62
Temperature: 0.900000
Total energy: -1228.092031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1228.092031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1228.092031 (E_RNA)
where:
Base-Base interactions energy: -821.567
where: short stacking energy: -362.760
Base-Backbone interact. energy: 2.389
local terms energy: -408.914142
where:
bonds (distance) C4'-P energy: -75.068
bonds (distance) P-C4' energy: -80.229
flat angles C4'-P-C4' energy: -89.764
flat angles P-C4'-P energy: -67.133
tors. eta vs tors. theta energy: -96.721
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: 1
=====================================
Write number: 62
Temperature: 0.950000
Total energy: -1235.784737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1235.784737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1235.784737 (E_RNA)
where:
Base-Base interactions energy: -839.723
where: short stacking energy: -380.743
Base-Backbone interact. energy: -2.261
local terms energy: -393.800924
where:
bonds (distance) C4'-P energy: -75.508
bonds (distance) P-C4' energy: -80.619
flat angles C4'-P-C4' energy: -76.955
flat angles P-C4'-P energy: -53.947
tors. eta vs tors. theta energy: -106.772
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: 3, replica: 10
=====================================
Write number: 62
Temperature: 1.000000
Total energy: -1205.203517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1205.203517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1205.203517 (E_RNA)
where:
Base-Base interactions energy: -831.766
where: short stacking energy: -338.216
Base-Backbone interact. energy: -1.220
local terms energy: -372.217931
where:
bonds (distance) C4'-P energy: -67.417
bonds (distance) P-C4' energy: -76.620
flat angles C4'-P-C4' energy: -86.195
flat angles P-C4'-P energy: -53.902
tors. eta vs tors. theta energy: -88.084
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: 7
=====================================
Write number: 62
Temperature: 1.050000
Total energy: -1089.014975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1089.014975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1089.014975 (E_RNA)
where:
Base-Base interactions energy: -711.200
where: short stacking energy: -311.541
Base-Backbone interact. energy: -3.927
local terms energy: -373.954797
where:
bonds (distance) C4'-P energy: -67.879
bonds (distance) P-C4' energy: -77.275
flat angles C4'-P-C4' energy: -84.776
flat angles P-C4'-P energy: -55.317
tors. eta vs tors. theta energy: -88.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.067 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 62
Temperature: 1.100000
Total energy: -1072.471229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1072.471229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1072.471229 (E_RNA)
where:
Base-Base interactions energy: -697.055
where: short stacking energy: -322.043
Base-Backbone interact. energy: -1.248
local terms energy: -374.168252
where:
bonds (distance) C4'-P energy: -80.274
bonds (distance) P-C4' energy: -70.225
flat angles C4'-P-C4' energy: -82.314
flat angles P-C4'-P energy: -52.545
tors. eta vs tors. theta energy: -88.809
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: 4
=====================================
Write number: 62
Temperature: 1.150000
Total energy: -963.050248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -963.050248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -963.050248 (E_RNA)
where:
Base-Base interactions energy: -624.844
where: short stacking energy: -290.433
Base-Backbone interact. energy: -1.491
local terms energy: -336.715520
where:
bonds (distance) C4'-P energy: -58.605
bonds (distance) P-C4' energy: -86.436
flat angles C4'-P-C4' energy: -69.225
flat angles P-C4'-P energy: -55.219
tors. eta vs tors. theta energy: -67.230
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: 5
=====================================
Write number: 62
Temperature: 1.200000
Total energy: -721.817454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -721.817454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -721.817454 (E_RNA)
where:
Base-Base interactions energy: -422.002
where: short stacking energy: -236.600
Base-Backbone interact. energy: 3.435
local terms energy: -303.250419
where:
bonds (distance) C4'-P energy: -63.381
bonds (distance) P-C4' energy: -70.364
flat angles C4'-P-C4' energy: -62.870
flat angles P-C4'-P energy: -48.292
tors. eta vs tors. theta energy: -58.343
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: 8, replica: 2
=====================================
Write number: 62
Temperature: 1.250000
Total energy: -659.032653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -659.032653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -659.032653 (E_RNA)
where:
Base-Base interactions energy: -403.442
where: short stacking energy: -186.952
Base-Backbone interact. energy: 0.542
local terms energy: -256.132501
where:
bonds (distance) C4'-P energy: -58.008
bonds (distance) P-C4' energy: -63.353
flat angles C4'-P-C4' energy: -70.260
flat angles P-C4'-P energy: -31.815
tors. eta vs tors. theta energy: -32.697
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: 8
=====================================
Write number: 62
Temperature: 1.300000
Total energy: -417.493540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.493540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.493540 (E_RNA)
where:
Base-Base interactions energy: -233.627
where: short stacking energy: -137.853
Base-Backbone interact. energy: 2.541
local terms energy: -186.407613
where:
bonds (distance) C4'-P energy: -63.927
bonds (distance) P-C4' energy: -63.972
flat angles C4'-P-C4' energy: -33.847
flat angles P-C4'-P energy: -34.390
tors. eta vs tors. theta energy: 9.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 62
Temperature: 1.350000
Total energy: -539.776691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.776691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.776691 (E_RNA)
where:
Base-Base interactions energy: -324.723
where: short stacking energy: -162.211
Base-Backbone interact. energy: -0.504
local terms energy: -214.553520
where:
bonds (distance) C4'-P energy: -36.298
bonds (distance) P-C4' energy: -58.314
flat angles C4'-P-C4' energy: -71.754
flat angles P-C4'-P energy: -34.506
tors. eta vs tors. theta energy: -13.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.004 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 63
Temperature: 0.900000
Total energy: -1256.794730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1256.794730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1256.794730 (E_RNA)
where:
Base-Base interactions energy: -867.162
where: short stacking energy: -380.439
Base-Backbone interact. energy: -1.954
local terms energy: -387.678241
where:
bonds (distance) C4'-P energy: -67.905
bonds (distance) P-C4' energy: -72.278
flat angles C4'-P-C4' energy: -86.803
flat angles P-C4'-P energy: -55.527
tors. eta vs tors. theta energy: -105.165
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: 2, replica: 10
=====================================
Write number: 63
Temperature: 0.950000
Total energy: -1230.841801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1230.841801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1230.841801 (E_RNA)
where:
Base-Base interactions energy: -851.696
where: short stacking energy: -368.002
Base-Backbone interact. energy: -1.821
local terms energy: -377.324752
where:
bonds (distance) C4'-P energy: -68.094
bonds (distance) P-C4' energy: -72.784
flat angles C4'-P-C4' energy: -79.487
flat angles P-C4'-P energy: -60.679
tors. eta vs tors. theta energy: -96.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 63
Temperature: 1.000000
Total energy: -1222.263985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1222.263985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1222.263985 (E_RNA)
where:
Base-Base interactions energy: -836.574
where: short stacking energy: -376.371
Base-Backbone interact. energy: -1.362
local terms energy: -384.328074
where:
bonds (distance) C4'-P energy: -65.384
bonds (distance) P-C4' energy: -82.997
flat angles C4'-P-C4' energy: -77.646
flat angles P-C4'-P energy: -49.156
tors. eta vs tors. theta energy: -109.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 63
Temperature: 1.050000
Total energy: -1123.348827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1123.348827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1123.348827 (E_RNA)
where:
Base-Base interactions energy: -758.954
where: short stacking energy: -340.927
Base-Backbone interact. energy: -1.402
local terms energy: -362.993188
where:
bonds (distance) C4'-P energy: -60.868
bonds (distance) P-C4' energy: -77.288
flat angles C4'-P-C4' energy: -82.794
flat angles P-C4'-P energy: -49.600
tors. eta vs tors. theta energy: -92.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 63
Temperature: 1.100000
Total energy: -1114.128114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1114.128114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1114.128114 (E_RNA)
where:
Base-Base interactions energy: -753.722
where: short stacking energy: -340.494
Base-Backbone interact. energy: -1.686
local terms energy: -358.720549
where:
bonds (distance) C4'-P energy: -64.338
bonds (distance) P-C4' energy: -70.699
flat angles C4'-P-C4' energy: -82.686
flat angles P-C4'-P energy: -38.812
tors. eta vs tors. theta energy: -102.186
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: 4
=====================================
Write number: 63
Temperature: 1.150000
Total energy: -908.317408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -908.317408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -908.317408 (E_RNA)
where:
Base-Base interactions energy: -594.939
where: short stacking energy: -277.334
Base-Backbone interact. energy: -1.575
local terms energy: -311.803221
where:
bonds (distance) C4'-P energy: -65.724
bonds (distance) P-C4' energy: -55.318
flat angles C4'-P-C4' energy: -73.772
flat angles P-C4'-P energy: -46.009
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: 5
=====================================
Write number: 63
Temperature: 1.200000
Total energy: -740.643173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -740.643173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -740.643173 (E_RNA)
where:
Base-Base interactions energy: -444.258
where: short stacking energy: -232.966
Base-Backbone interact. energy: 1.783
local terms energy: -298.168365
where:
bonds (distance) C4'-P energy: -69.156
bonds (distance) P-C4' energy: -77.540
flat angles C4'-P-C4' energy: -69.953
flat angles P-C4'-P energy: -38.752
tors. eta vs tors. theta energy: -42.768
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: 2
=====================================
Write number: 63
Temperature: 1.250000
Total energy: -633.798728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -633.798728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -633.798728 (E_RNA)
where:
Base-Base interactions energy: -357.480
where: short stacking energy: -165.789
Base-Backbone interact. energy: -3.671
local terms energy: -272.647700
where:
bonds (distance) C4'-P energy: -56.288
bonds (distance) P-C4' energy: -75.364
flat angles C4'-P-C4' energy: -69.704
flat angles P-C4'-P energy: -39.253
tors. eta vs tors. theta energy: -32.039
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: 8
=====================================
Write number: 63
Temperature: 1.300000
Total energy: -399.666159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.666159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.666159 (E_RNA)
where:
Base-Base interactions energy: -169.702
where: short stacking energy: -108.848
Base-Backbone interact. energy: 4.656
local terms energy: -234.619919
where:
bonds (distance) C4'-P energy: -67.991
bonds (distance) P-C4' energy: -64.333
flat angles C4'-P-C4' energy: -65.408
flat angles P-C4'-P energy: -37.474
tors. eta vs tors. theta energy: 0.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 63
Temperature: 1.350000
Total energy: -503.472768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.472768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.472768 (E_RNA)
where:
Base-Base interactions energy: -265.050
where: short stacking energy: -117.294
Base-Backbone interact. energy: -1.016
local terms energy: -237.406897
where:
bonds (distance) C4'-P energy: -66.304
bonds (distance) P-C4' energy: -65.847
flat angles C4'-P-C4' energy: -64.174
flat angles P-C4'-P energy: -35.526
tors. eta vs tors. theta energy: -5.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 64
Temperature: 0.900000
Total energy: -1270.722199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1270.722199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1270.722199 (E_RNA)
where:
Base-Base interactions energy: -862.367
where: short stacking energy: -381.408
Base-Backbone interact. energy: -0.687
local terms energy: -407.668841
where:
bonds (distance) C4'-P energy: -79.688
bonds (distance) P-C4' energy: -82.259
flat angles C4'-P-C4' energy: -81.729
flat angles P-C4'-P energy: -58.732
tors. eta vs tors. theta energy: -105.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 64
Temperature: 0.950000
Total energy: -1217.154300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1217.154300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1217.154300 (E_RNA)
where:
Base-Base interactions energy: -825.164
where: short stacking energy: -353.910
Base-Backbone interact. energy: -0.730
local terms energy: -391.259966
where:
bonds (distance) C4'-P energy: -72.962
bonds (distance) P-C4' energy: -79.396
flat angles C4'-P-C4' energy: -90.244
flat angles P-C4'-P energy: -49.081
tors. eta vs tors. theta energy: -99.577
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: 1
=====================================
Write number: 64
Temperature: 1.000000
Total energy: -1175.501093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1175.501093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1175.501093 (E_RNA)
where:
Base-Base interactions energy: -792.585
where: short stacking energy: -351.777
Base-Backbone interact. energy: -1.664
local terms energy: -381.252465
where:
bonds (distance) C4'-P energy: -85.923
bonds (distance) P-C4' energy: -72.569
flat angles C4'-P-C4' energy: -82.347
flat angles P-C4'-P energy: -46.483
tors. eta vs tors. theta energy: -93.931
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: 4, replica: 7
=====================================
Write number: 64
Temperature: 1.050000
Total energy: -1113.647516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1113.647516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1113.647516 (E_RNA)
where:
Base-Base interactions energy: -728.811
where: short stacking energy: -339.759
Base-Backbone interact. energy: -1.757
local terms energy: -383.079488
where:
bonds (distance) C4'-P energy: -65.771
bonds (distance) P-C4' energy: -77.702
flat angles C4'-P-C4' energy: -82.550
flat angles P-C4'-P energy: -55.370
tors. eta vs tors. theta energy: -101.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 64
Temperature: 1.100000
Total energy: -1070.072735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1070.072735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1070.072735 (E_RNA)
where:
Base-Base interactions energy: -713.125
where: short stacking energy: -314.669
Base-Backbone interact. energy: 2.763
local terms energy: -359.710440
where:
bonds (distance) C4'-P energy: -66.748
bonds (distance) P-C4' energy: -93.339
flat angles C4'-P-C4' energy: -75.598
flat angles P-C4'-P energy: -38.686
tors. eta vs tors. theta energy: -85.338
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: 6, replica: 4
=====================================
Write number: 64
Temperature: 1.150000
Total energy: -902.528770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -902.528770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -902.528770 (E_RNA)
where:
Base-Base interactions energy: -579.420
where: short stacking energy: -256.003
Base-Backbone interact. energy: -1.038
local terms energy: -322.070647
where:
bonds (distance) C4'-P energy: -66.967
bonds (distance) P-C4' energy: -72.433
flat angles C4'-P-C4' energy: -79.106
flat angles P-C4'-P energy: -42.176
tors. eta vs tors. theta energy: -61.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 64
Temperature: 1.200000
Total energy: -706.712197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -706.712197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -706.712197 (E_RNA)
where:
Base-Base interactions energy: -414.353
where: short stacking energy: -202.911
Base-Backbone interact. energy: -0.878
local terms energy: -291.480789
where:
bonds (distance) C4'-P energy: -68.961
bonds (distance) P-C4' energy: -64.565
flat angles C4'-P-C4' energy: -62.283
flat angles P-C4'-P energy: -48.580
tors. eta vs tors. theta energy: -47.092
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: 8, replica: 2
=====================================
Write number: 64
Temperature: 1.250000
Total energy: -661.058530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -661.058530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -661.058530 (E_RNA)
where:
Base-Base interactions energy: -387.613
where: short stacking energy: -179.355
Base-Backbone interact. energy: -1.751
local terms energy: -271.694763
where:
bonds (distance) C4'-P energy: -60.228
bonds (distance) P-C4' energy: -71.603
flat angles C4'-P-C4' energy: -55.963
flat angles P-C4'-P energy: -49.576
tors. eta vs tors. theta energy: -34.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 64
Temperature: 1.300000
Total energy: -555.957802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.957802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.957802 (E_RNA)
where:
Base-Base interactions energy: -310.780
where: short stacking energy: -163.101
Base-Backbone interact. energy: -0.527
local terms energy: -244.650369
where:
bonds (distance) C4'-P energy: -68.402
bonds (distance) P-C4' energy: -72.590
flat angles C4'-P-C4' energy: -58.836
flat angles P-C4'-P energy: -28.932
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: 10, replica: 8
=====================================
Write number: 64
Temperature: 1.350000
Total energy: -417.951371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.951371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.951371 (E_RNA)
where:
Base-Base interactions energy: -186.690
where: short stacking energy: -117.934
Base-Backbone interact. energy: -0.989
local terms energy: -230.272399
where:
bonds (distance) C4'-P energy: -71.155
bonds (distance) P-C4' energy: -68.697
flat angles C4'-P-C4' energy: -45.517
flat angles P-C4'-P energy: -37.539
tors. eta vs tors. theta energy: -7.364
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: 10
=====================================
Write number: 65
Temperature: 0.900000
Total energy: -1260.635018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1260.635018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1260.635018 (E_RNA)
where:
Base-Base interactions energy: -854.371
where: short stacking energy: -364.207
Base-Backbone interact. energy: -1.670
local terms energy: -404.593493
where:
bonds (distance) C4'-P energy: -80.170
bonds (distance) P-C4' energy: -83.343
flat angles C4'-P-C4' energy: -84.088
flat angles P-C4'-P energy: -62.730
tors. eta vs tors. theta energy: -94.263
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: 1
=====================================
Write number: 65
Temperature: 0.950000
Total energy: -1219.440204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1219.440204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1219.440204 (E_RNA)
where:
Base-Base interactions energy: -831.754
where: short stacking energy: -364.959
Base-Backbone interact. energy: -0.503
local terms energy: -387.182899
where:
bonds (distance) C4'-P energy: -74.053
bonds (distance) P-C4' energy: -70.768
flat angles C4'-P-C4' energy: -80.396
flat angles P-C4'-P energy: -56.762
tors. eta vs tors. theta energy: -105.205
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: 9
=====================================
Write number: 65
Temperature: 1.000000
Total energy: -1147.878300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1147.878300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1147.878300 (E_RNA)
where:
Base-Base interactions energy: -766.449
where: short stacking energy: -335.511
Base-Backbone interact. energy: -1.644
local terms energy: -379.784484
where:
bonds (distance) C4'-P energy: -73.076
bonds (distance) P-C4' energy: -69.973
flat angles C4'-P-C4' energy: -83.671
flat angles P-C4'-P energy: -63.738
tors. eta vs tors. theta energy: -89.326
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: 7
=====================================
Write number: 65
Temperature: 1.050000
Total energy: -1094.922541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1094.922541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1094.922541 (E_RNA)
where:
Base-Base interactions energy: -725.472
where: short stacking energy: -340.047
Base-Backbone interact. energy: -0.636
local terms energy: -368.814331
where:
bonds (distance) C4'-P energy: -65.182
bonds (distance) P-C4' energy: -68.072
flat angles C4'-P-C4' energy: -76.784
flat angles P-C4'-P energy: -57.731
tors. eta vs tors. theta energy: -101.045
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: 3
=====================================
Write number: 65
Temperature: 1.100000
Total energy: -1092.150945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1092.150945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1092.150945 (E_RNA)
where:
Base-Base interactions energy: -754.017
where: short stacking energy: -337.737
Base-Backbone interact. energy: -1.692
local terms energy: -336.442276
where:
bonds (distance) C4'-P energy: -60.298
bonds (distance) P-C4' energy: -70.820
flat angles C4'-P-C4' energy: -67.114
flat angles P-C4'-P energy: -46.622
tors. eta vs tors. theta energy: -91.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 65
Temperature: 1.150000
Total energy: -988.134233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -988.134233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -988.134233 (E_RNA)
where:
Base-Base interactions energy: -639.196
where: short stacking energy: -296.069
Base-Backbone interact. energy: -1.345
local terms energy: -347.593993
where:
bonds (distance) C4'-P energy: -64.340
bonds (distance) P-C4' energy: -71.927
flat angles C4'-P-C4' energy: -76.334
flat angles P-C4'-P energy: -51.074
tors. eta vs tors. theta energy: -83.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 65
Temperature: 1.200000
Total energy: -710.972433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -710.972433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -710.972433 (E_RNA)
where:
Base-Base interactions energy: -433.219
where: short stacking energy: -206.372
Base-Backbone interact. energy: -1.257
local terms energy: -276.496433
where:
bonds (distance) C4'-P energy: -67.938
bonds (distance) P-C4' energy: -82.712
flat angles C4'-P-C4' energy: -62.213
flat angles P-C4'-P energy: -35.497
tors. eta vs tors. theta energy: -28.136
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: 2
=====================================
Write number: 65
Temperature: 1.250000
Total energy: -708.272366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -708.272366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -708.272366 (E_RNA)
where:
Base-Base interactions energy: -463.572
where: short stacking energy: -213.217
Base-Backbone interact. energy: 3.807
local terms energy: -248.508282
where:
bonds (distance) C4'-P energy: -59.122
bonds (distance) P-C4' energy: -61.596
flat angles C4'-P-C4' energy: -70.687
flat angles P-C4'-P energy: -26.983
tors. eta vs tors. theta energy: -30.121
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: 9, replica: 6
=====================================
Write number: 65
Temperature: 1.300000
Total energy: -547.181199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.181199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.181199 (E_RNA)
where:
Base-Base interactions energy: -314.692
where: short stacking energy: -161.589
Base-Backbone interact. energy: -0.772
local terms energy: -231.716588
where:
bonds (distance) C4'-P energy: -53.807
bonds (distance) P-C4' energy: -67.231
flat angles C4'-P-C4' energy: -62.907
flat angles P-C4'-P energy: -35.700
tors. eta vs tors. theta energy: -12.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 65
Temperature: 1.350000
Total energy: -434.067324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.067324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.067324 (E_RNA)
where:
Base-Base interactions energy: -204.361
where: short stacking energy: -121.163
Base-Backbone interact. energy: -1.279
local terms energy: -228.427276
where:
bonds (distance) C4'-P energy: -65.439
bonds (distance) P-C4' energy: -61.078
flat angles C4'-P-C4' energy: -54.948
flat angles P-C4'-P energy: -36.852
tors. eta vs tors. theta energy: -10.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 66
Temperature: 0.900000
Total energy: -1275.141837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1275.141837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1275.141837 (E_RNA)
where:
Base-Base interactions energy: -863.955
where: short stacking energy: -379.632
Base-Backbone interact. energy: -0.423
local terms energy: -410.763717
where:
bonds (distance) C4'-P energy: -82.653
bonds (distance) P-C4' energy: -78.163
flat angles C4'-P-C4' energy: -82.667
flat angles P-C4'-P energy: -65.786
tors. eta vs tors. theta energy: -101.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 66
Temperature: 0.950000
Total energy: -1200.500836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1200.500836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1200.500836 (E_RNA)
where:
Base-Base interactions energy: -796.346
where: short stacking energy: -338.560
Base-Backbone interact. energy: -2.985
local terms energy: -401.170393
where:
bonds (distance) C4'-P energy: -83.306
bonds (distance) P-C4' energy: -86.546
flat angles C4'-P-C4' energy: -76.905
flat angles P-C4'-P energy: -55.952
tors. eta vs tors. theta energy: -98.461
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: 7
=====================================
Write number: 66
Temperature: 1.000000
Total energy: -1162.474833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1162.474833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1162.474833 (E_RNA)
where:
Base-Base interactions energy: -776.038
where: short stacking energy: -357.544
Base-Backbone interact. energy: -2.116
local terms energy: -384.320829
where:
bonds (distance) C4'-P energy: -83.298
bonds (distance) P-C4' energy: -80.333
flat angles C4'-P-C4' energy: -80.502
flat angles P-C4'-P energy: -46.076
tors. eta vs tors. theta energy: -94.113
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: 4, replica: 9
=====================================
Write number: 66
Temperature: 1.050000
Total energy: -1151.593387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1151.593387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1151.593387 (E_RNA)
where:
Base-Base interactions energy: -782.296
where: short stacking energy: -365.013
Base-Backbone interact. energy: -0.583
local terms energy: -368.921034
where:
bonds (distance) C4'-P energy: -78.284
bonds (distance) P-C4' energy: -64.726
flat angles C4'-P-C4' energy: -75.971
flat angles P-C4'-P energy: -49.401
tors. eta vs tors. theta energy: -100.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.207 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 66
Temperature: 1.100000
Total energy: -1106.399787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1106.399787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1106.399787 (E_RNA)
where:
Base-Base interactions energy: -742.060
where: short stacking energy: -335.303
Base-Backbone interact. energy: 0.565
local terms energy: -364.905402
where:
bonds (distance) C4'-P energy: -71.948
bonds (distance) P-C4' energy: -71.237
flat angles C4'-P-C4' energy: -76.081
flat angles P-C4'-P energy: -54.025
tors. eta vs tors. theta energy: -91.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 66
Temperature: 1.150000
Total energy: -952.518587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -952.518587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -952.518587 (E_RNA)
where:
Base-Base interactions energy: -625.549
where: short stacking energy: -262.893
Base-Backbone interact. energy: -1.796
local terms energy: -325.173559
where:
bonds (distance) C4'-P energy: -69.571
bonds (distance) P-C4' energy: -66.499
flat angles C4'-P-C4' energy: -76.181
flat angles P-C4'-P energy: -43.157
tors. eta vs tors. theta energy: -69.766
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: 7, replica: 2
=====================================
Write number: 66
Temperature: 1.200000
Total energy: -825.535047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -825.535047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -825.535047 (E_RNA)
where:
Base-Base interactions energy: -513.006
where: short stacking energy: -236.323
Base-Backbone interact. energy: 0.536
local terms energy: -313.065718
where:
bonds (distance) C4'-P energy: -68.781
bonds (distance) P-C4' energy: -65.277
flat angles C4'-P-C4' energy: -77.546
flat angles P-C4'-P energy: -48.042
tors. eta vs tors. theta energy: -53.421
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: 5
=====================================
Write number: 66
Temperature: 1.250000
Total energy: -660.052123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -660.052123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -660.052123 (E_RNA)
where:
Base-Base interactions energy: -393.297
where: short stacking energy: -198.836
Base-Backbone interact. energy: -1.436
local terms energy: -265.319516
where:
bonds (distance) C4'-P energy: -71.363
bonds (distance) P-C4' energy: -64.216
flat angles C4'-P-C4' energy: -74.157
flat angles P-C4'-P energy: -24.080
tors. eta vs tors. theta energy: -31.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 66
Temperature: 1.300000
Total energy: -561.894039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.894039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.894039 (E_RNA)
where:
Base-Base interactions energy: -305.714
where: short stacking energy: -157.806
Base-Backbone interact. energy: 1.031
local terms energy: -257.210960
where:
bonds (distance) C4'-P energy: -70.094
bonds (distance) P-C4' energy: -81.581
flat angles C4'-P-C4' energy: -64.705
flat angles P-C4'-P energy: -28.637
tors. eta vs tors. theta energy: -12.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 66
Temperature: 1.350000
Total energy: -418.620409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.620409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.620409 (E_RNA)
where:
Base-Base interactions energy: -213.113
where: short stacking energy: -135.949
Base-Backbone interact. energy: 0.712
local terms energy: -206.219281
where:
bonds (distance) C4'-P energy: -53.905
bonds (distance) P-C4' energy: -61.307
flat angles C4'-P-C4' energy: -46.210
flat angles P-C4'-P energy: -38.066
tors. eta vs tors. theta energy: -6.731
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: 10
=====================================
Write number: 67
Temperature: 0.900000
Total energy: -1254.888815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1254.888815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1254.888815 (E_RNA)
where:
Base-Base interactions energy: -860.783
where: short stacking energy: -377.441
Base-Backbone interact. energy: 0.782
local terms energy: -394.888739
where:
bonds (distance) C4'-P energy: -72.771
bonds (distance) P-C4' energy: -83.266
flat angles C4'-P-C4' energy: -84.534
flat angles P-C4'-P energy: -55.187
tors. eta vs tors. theta energy: -99.130
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: 1
=====================================
Write number: 67
Temperature: 0.950000
Total energy: -1185.411827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1185.411827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1185.411827 (E_RNA)
where:
Base-Base interactions energy: -791.634
where: short stacking energy: -353.946
Base-Backbone interact. energy: -1.941
local terms energy: -391.837137
where:
bonds (distance) C4'-P energy: -73.274
bonds (distance) P-C4' energy: -75.145
flat angles C4'-P-C4' energy: -87.523
flat angles P-C4'-P energy: -61.719
tors. eta vs tors. theta energy: -94.176
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: 7
=====================================
Write number: 67
Temperature: 1.000000
Total energy: -1158.125799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1158.125799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1158.125799 (E_RNA)
where:
Base-Base interactions energy: -757.144
where: short stacking energy: -337.536
Base-Backbone interact. energy: -0.869
local terms energy: -400.111993
where:
bonds (distance) C4'-P energy: -76.888
bonds (distance) P-C4' energy: -70.773
flat angles C4'-P-C4' energy: -94.093
flat angles P-C4'-P energy: -59.200
tors. eta vs tors. theta energy: -99.157
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: 3
=====================================
Write number: 67
Temperature: 1.050000
Total energy: -1146.034736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1146.034736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1146.034736 (E_RNA)
where:
Base-Base interactions energy: -770.107
where: short stacking energy: -351.194
Base-Backbone interact. energy: -0.402
local terms energy: -375.525796
where:
bonds (distance) C4'-P energy: -67.912
bonds (distance) P-C4' energy: -65.572
flat angles C4'-P-C4' energy: -78.396
flat angles P-C4'-P energy: -65.401
tors. eta vs tors. theta energy: -98.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 67
Temperature: 1.100000
Total energy: -1121.003278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1121.003278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1121.003278 (E_RNA)
where:
Base-Base interactions energy: -774.777
where: short stacking energy: -345.993
Base-Backbone interact. energy: -1.073
local terms energy: -345.153881
where:
bonds (distance) C4'-P energy: -58.837
bonds (distance) P-C4' energy: -64.367
flat angles C4'-P-C4' energy: -83.289
flat angles P-C4'-P energy: -48.517
tors. eta vs tors. theta energy: -90.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 67
Temperature: 1.150000
Total energy: -973.722786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -973.722786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -973.722786 (E_RNA)
where:
Base-Base interactions energy: -639.678
where: short stacking energy: -284.535
Base-Backbone interact. energy: -1.411
local terms energy: -332.633134
where:
bonds (distance) C4'-P energy: -69.759
bonds (distance) P-C4' energy: -76.534
flat angles C4'-P-C4' energy: -73.108
flat angles P-C4'-P energy: -38.158
tors. eta vs tors. theta energy: -75.075
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: 2
=====================================
Write number: 67
Temperature: 1.200000
Total energy: -802.871463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -802.871463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -802.871463 (E_RNA)
where:
Base-Base interactions energy: -506.038
where: short stacking energy: -240.874
Base-Backbone interact. energy: 3.368
local terms energy: -300.201072
where:
bonds (distance) C4'-P energy: -67.494
bonds (distance) P-C4' energy: -70.924
flat angles C4'-P-C4' energy: -61.718
flat angles P-C4'-P energy: -45.882
tors. eta vs tors. theta energy: -54.184
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: 5
=====================================
Write number: 67
Temperature: 1.250000
Total energy: -628.154476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -628.154476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -628.154476 (E_RNA)
where:
Base-Base interactions energy: -363.929
where: short stacking energy: -165.232
Base-Backbone interact. energy: 1.962
local terms energy: -266.186610
where:
bonds (distance) C4'-P energy: -60.203
bonds (distance) P-C4' energy: -76.024
flat angles C4'-P-C4' energy: -66.140
flat angles P-C4'-P energy: -45.800
tors. eta vs tors. theta energy: -18.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 67
Temperature: 1.300000
Total energy: -538.649844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.649844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.649844 (E_RNA)
where:
Base-Base interactions energy: -302.530
where: short stacking energy: -161.669
Base-Backbone interact. energy: 0.036
local terms energy: -236.155267
where:
bonds (distance) C4'-P energy: -61.648
bonds (distance) P-C4' energy: -64.081
flat angles C4'-P-C4' energy: -50.396
flat angles P-C4'-P energy: -44.010
tors. eta vs tors. theta energy: -16.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 67
Temperature: 1.350000
Total energy: -386.087620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.087620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.087620 (E_RNA)
where:
Base-Base interactions energy: -190.875
where: short stacking energy: -84.091
Base-Backbone interact. energy: -1.668
local terms energy: -193.544073
where:
bonds (distance) C4'-P energy: -59.592
bonds (distance) P-C4' energy: -69.640
flat angles C4'-P-C4' energy: -51.055
flat angles P-C4'-P energy: -21.842
tors. eta vs tors. theta energy: 8.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 68
Temperature: 0.900000
Total energy: -1247.628665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1247.628665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1247.628665 (E_RNA)
where:
Base-Base interactions energy: -855.689
where: short stacking energy: -366.328
Base-Backbone interact. energy: -2.114
local terms energy: -389.825683
where:
bonds (distance) C4'-P energy: -73.618
bonds (distance) P-C4' energy: -80.650
flat angles C4'-P-C4' energy: -77.251
flat angles P-C4'-P energy: -60.413
tors. eta vs tors. theta energy: -97.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 68
Temperature: 0.950000
Total energy: -1217.911215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1217.911215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1217.911215 (E_RNA)
where:
Base-Base interactions energy: -829.401
where: short stacking energy: -383.456
Base-Backbone interact. energy: -0.489
local terms energy: -388.021818
where:
bonds (distance) C4'-P energy: -61.979
bonds (distance) P-C4' energy: -75.728
flat angles C4'-P-C4' energy: -80.852
flat angles P-C4'-P energy: -63.058
tors. eta vs tors. theta energy: -106.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 68
Temperature: 1.000000
Total energy: -1230.684564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1230.684564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1230.684564 (E_RNA)
where:
Base-Base interactions energy: -841.328
where: short stacking energy: -381.417
Base-Backbone interact. energy: -0.794
local terms energy: -388.563096
where:
bonds (distance) C4'-P energy: -65.203
bonds (distance) P-C4' energy: -75.448
flat angles C4'-P-C4' energy: -80.544
flat angles P-C4'-P energy: -53.694
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: 4, replica: 3
=====================================
Write number: 68
Temperature: 1.050000
Total energy: -1153.915426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1153.915426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1153.915426 (E_RNA)
where:
Base-Base interactions energy: -788.010
where: short stacking energy: -377.062
Base-Backbone interact. energy: -0.406
local terms energy: -365.499975
where:
bonds (distance) C4'-P energy: -57.628
bonds (distance) P-C4' energy: -72.151
flat angles C4'-P-C4' energy: -82.515
flat angles P-C4'-P energy: -53.677
tors. eta vs tors. theta energy: -99.528
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: 9
=====================================
Write number: 68
Temperature: 1.100000
Total energy: -1087.720655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1087.720655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1087.720655 (E_RNA)
where:
Base-Base interactions energy: -733.195
where: short stacking energy: -313.841
Base-Backbone interact. energy: -0.707
local terms energy: -353.818473
where:
bonds (distance) C4'-P energy: -67.583
bonds (distance) P-C4' energy: -76.661
flat angles C4'-P-C4' energy: -73.653
flat angles P-C4'-P energy: -53.825
tors. eta vs tors. theta energy: -82.097
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: 4
=====================================
Write number: 68
Temperature: 1.150000
Total energy: -913.547505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -913.547505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -913.547505 (E_RNA)
where:
Base-Base interactions energy: -622.105
where: short stacking energy: -272.725
Base-Backbone interact. energy: 1.060
local terms energy: -292.502282
where:
bonds (distance) C4'-P energy: -60.274
bonds (distance) P-C4' energy: -70.077
flat angles C4'-P-C4' energy: -75.287
flat angles P-C4'-P energy: -33.197
tors. eta vs tors. theta energy: -53.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 68
Temperature: 1.200000
Total energy: -764.723261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -764.723261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -764.723261 (E_RNA)
where:
Base-Base interactions energy: -461.219
where: short stacking energy: -223.349
Base-Backbone interact. energy: -2.328
local terms energy: -301.175951
where:
bonds (distance) C4'-P energy: -68.267
bonds (distance) P-C4' energy: -75.582
flat angles C4'-P-C4' energy: -71.921
flat angles P-C4'-P energy: -47.997
tors. eta vs tors. theta energy: -37.408
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: 5
=====================================
Write number: 68
Temperature: 1.250000
Total energy: -651.778694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -651.778694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -651.778694 (E_RNA)
where:
Base-Base interactions energy: -393.768
where: short stacking energy: -197.595
Base-Backbone interact. energy: -1.166
local terms energy: -256.844996
where:
bonds (distance) C4'-P energy: -65.965
bonds (distance) P-C4' energy: -65.704
flat angles C4'-P-C4' energy: -56.945
flat angles P-C4'-P energy: -28.362
tors. eta vs tors. theta energy: -39.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 68
Temperature: 1.300000
Total energy: -543.640435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.640435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.640435 (E_RNA)
where:
Base-Base interactions energy: -301.532
where: short stacking energy: -151.157
Base-Backbone interact. energy: 2.694
local terms energy: -244.802482
where:
bonds (distance) C4'-P energy: -53.120
bonds (distance) P-C4' energy: -85.372
flat angles C4'-P-C4' energy: -56.181
flat angles P-C4'-P energy: -47.059
tors. eta vs tors. theta energy: -3.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 68
Temperature: 1.350000
Total energy: -409.776474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.776474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.776474 (E_RNA)
where:
Base-Base interactions energy: -209.931
where: short stacking energy: -118.759
Base-Backbone interact. energy: -1.225
local terms energy: -198.621168
where:
bonds (distance) C4'-P energy: -61.444
bonds (distance) P-C4' energy: -58.319
flat angles C4'-P-C4' energy: -47.183
flat angles P-C4'-P energy: -33.309
tors. eta vs tors. theta energy: 1.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 69
Temperature: 0.900000
Total energy: -1247.453640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1247.453640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1247.453640 (E_RNA)
where:
Base-Base interactions energy: -858.585
where: short stacking energy: -378.645
Base-Backbone interact. energy: -1.451
local terms energy: -387.417156
where:
bonds (distance) C4'-P energy: -66.535
bonds (distance) P-C4' energy: -83.262
flat angles C4'-P-C4' energy: -91.799
flat angles P-C4'-P energy: -47.276
tors. eta vs tors. theta energy: -98.546
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: 7
=====================================
Write number: 69
Temperature: 0.950000
Total energy: -1272.149071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1272.149071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1272.149071 (E_RNA)
where:
Base-Base interactions energy: -862.259
where: short stacking energy: -388.020
Base-Backbone interact. energy: -1.992
local terms energy: -407.897476
where:
bonds (distance) C4'-P energy: -72.119
bonds (distance) P-C4' energy: -79.462
flat angles C4'-P-C4' energy: -88.287
flat angles P-C4'-P energy: -55.696
tors. eta vs tors. theta energy: -112.334
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: 1
=====================================
Write number: 69
Temperature: 1.000000
Total energy: -1179.284623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1179.284623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1179.284623 (E_RNA)
where:
Base-Base interactions energy: -791.226
where: short stacking energy: -355.218
Base-Backbone interact. energy: -1.612
local terms energy: -386.445878
where:
bonds (distance) C4'-P energy: -69.693
bonds (distance) P-C4' energy: -76.582
flat angles C4'-P-C4' energy: -77.911
flat angles P-C4'-P energy: -52.535
tors. eta vs tors. theta energy: -109.725
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: 3
=====================================
Write number: 69
Temperature: 1.050000
Total energy: -1155.233563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1155.233563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1155.233563 (E_RNA)
where:
Base-Base interactions energy: -762.733
where: short stacking energy: -358.424
Base-Backbone interact. energy: -1.184
local terms energy: -391.316839
where:
bonds (distance) C4'-P energy: -65.978
bonds (distance) P-C4' energy: -83.696
flat angles C4'-P-C4' energy: -80.167
flat angles P-C4'-P energy: -57.496
tors. eta vs tors. theta energy: -103.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 69
Temperature: 1.100000
Total energy: -1094.246990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1094.246990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1094.246990 (E_RNA)
where:
Base-Base interactions energy: -736.283
where: short stacking energy: -315.830
Base-Backbone interact. energy: -1.336
local terms energy: -356.628282
where:
bonds (distance) C4'-P energy: -64.469
bonds (distance) P-C4' energy: -69.661
flat angles C4'-P-C4' energy: -83.272
flat angles P-C4'-P energy: -54.009
tors. eta vs tors. theta energy: -85.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 69
Temperature: 1.150000
Total energy: -936.499723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -936.499723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -936.499723 (E_RNA)
where:
Base-Base interactions energy: -632.658
where: short stacking energy: -279.370
Base-Backbone interact. energy: -1.802
local terms energy: -302.318031
where:
bonds (distance) C4'-P energy: -60.599
bonds (distance) P-C4' energy: -66.323
flat angles C4'-P-C4' energy: -72.702
flat angles P-C4'-P energy: -41.271
tors. eta vs tors. theta energy: -61.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.279 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 69
Temperature: 1.200000
Total energy: -719.733297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -719.733297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -719.733297 (E_RNA)
where:
Base-Base interactions energy: -457.616
where: short stacking energy: -226.865
Base-Backbone interact. energy: 1.516
local terms energy: -263.632564
where:
bonds (distance) C4'-P energy: -64.334
bonds (distance) P-C4' energy: -64.677
flat angles C4'-P-C4' energy: -70.357
flat angles P-C4'-P energy: -37.468
tors. eta vs tors. theta energy: -26.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 69
Temperature: 1.250000
Total energy: -671.361403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -671.361403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -671.361403 (E_RNA)
where:
Base-Base interactions energy: -406.745
where: short stacking energy: -191.181
Base-Backbone interact. energy: -2.448
local terms energy: -262.168183
where:
bonds (distance) C4'-P energy: -50.859
bonds (distance) P-C4' energy: -73.736
flat angles C4'-P-C4' energy: -60.927
flat angles P-C4'-P energy: -47.231
tors. eta vs tors. theta energy: -29.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 69
Temperature: 1.300000
Total energy: -556.760428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.760428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.760428 (E_RNA)
where:
Base-Base interactions energy: -306.724
where: short stacking energy: -144.195
Base-Backbone interact. energy: 0.870
local terms energy: -250.906360
where:
bonds (distance) C4'-P energy: -76.444
bonds (distance) P-C4' energy: -58.202
flat angles C4'-P-C4' energy: -58.128
flat angles P-C4'-P energy: -39.072
tors. eta vs tors. theta energy: -19.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 69
Temperature: 1.350000
Total energy: -443.362145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.362145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.362145 (E_RNA)
where:
Base-Base interactions energy: -205.608
where: short stacking energy: -131.208
Base-Backbone interact. energy: -0.958
local terms energy: -236.795981
where:
bonds (distance) C4'-P energy: -61.438
bonds (distance) P-C4' energy: -63.075
flat angles C4'-P-C4' energy: -70.065
flat angles P-C4'-P energy: -31.666
tors. eta vs tors. theta energy: -10.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 70
Temperature: 0.900000
Total energy: -1322.907732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1322.907732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1322.907732 (E_RNA)
where:
Base-Base interactions energy: -910.714
where: short stacking energy: -404.024
Base-Backbone interact. energy: -2.132
local terms energy: -410.061487
where:
bonds (distance) C4'-P energy: -75.441
bonds (distance) P-C4' energy: -71.190
flat angles C4'-P-C4' energy: -81.640
flat angles P-C4'-P energy: -67.692
tors. eta vs tors. theta energy: -114.098
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: 10
=====================================
Write number: 70
Temperature: 0.950000
Total energy: -1197.084360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1197.084360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1197.084360 (E_RNA)
where:
Base-Base interactions energy: -811.082
where: short stacking energy: -359.755
Base-Backbone interact. energy: -0.069
local terms energy: -385.934247
where:
bonds (distance) C4'-P energy: -74.538
bonds (distance) P-C4' energy: -83.415
flat angles C4'-P-C4' energy: -83.171
flat angles P-C4'-P energy: -53.202
tors. eta vs tors. theta energy: -91.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 70
Temperature: 1.000000
Total energy: -1222.741246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1222.741246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1222.741246 (E_RNA)
where:
Base-Base interactions energy: -842.783
where: short stacking energy: -360.035
Base-Backbone interact. energy: -1.063
local terms energy: -378.894997
where:
bonds (distance) C4'-P energy: -64.751
bonds (distance) P-C4' energy: -77.902
flat angles C4'-P-C4' energy: -93.657
flat angles P-C4'-P energy: -39.255
tors. eta vs tors. theta energy: -103.330
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: 3
=====================================
Write number: 70
Temperature: 1.050000
Total energy: -1084.418094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1084.418094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1084.418094 (E_RNA)
where:
Base-Base interactions energy: -729.748
where: short stacking energy: -317.067
Base-Backbone interact. energy: -0.463
local terms energy: -354.206879
where:
bonds (distance) C4'-P energy: -66.979
bonds (distance) P-C4' energy: -76.570
flat angles C4'-P-C4' energy: -75.124
flat angles P-C4'-P energy: -45.152
tors. eta vs tors. theta energy: -90.382
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: 70
Temperature: 1.100000
Total energy: -1103.303646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1103.303646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1103.303646 (E_RNA)
where:
Base-Base interactions energy: -738.048
where: short stacking energy: -320.051
Base-Backbone interact. energy: -1.073
local terms energy: -364.309255
where:
bonds (distance) C4'-P energy: -69.832
bonds (distance) P-C4' energy: -74.347
flat angles C4'-P-C4' energy: -85.140
flat angles P-C4'-P energy: -42.074
tors. eta vs tors. theta energy: -92.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.127 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 70
Temperature: 1.150000
Total energy: -929.885284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -929.885284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -929.885284 (E_RNA)
where:
Base-Base interactions energy: -611.513
where: short stacking energy: -269.461
Base-Backbone interact. energy: -1.586
local terms energy: -316.786993
where:
bonds (distance) C4'-P energy: -56.789
bonds (distance) P-C4' energy: -58.952
flat angles C4'-P-C4' energy: -79.560
flat angles P-C4'-P energy: -54.412
tors. eta vs tors. theta energy: -67.074
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: 2
=====================================
Write number: 70
Temperature: 1.200000
Total energy: -780.239232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -780.239232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -780.239232 (E_RNA)
where:
Base-Base interactions energy: -489.230
where: short stacking energy: -212.619
Base-Backbone interact. energy: 1.275
local terms energy: -292.284466
where:
bonds (distance) C4'-P energy: -66.204
bonds (distance) P-C4' energy: -69.963
flat angles C4'-P-C4' energy: -59.946
flat angles P-C4'-P energy: -47.538
tors. eta vs tors. theta energy: -48.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 70
Temperature: 1.250000
Total energy: -683.859515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -683.859515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -683.859515 (E_RNA)
where:
Base-Base interactions energy: -422.838
where: short stacking energy: -210.604
Base-Backbone interact. energy: -2.164
local terms energy: -258.857487
where:
bonds (distance) C4'-P energy: -52.577
bonds (distance) P-C4' energy: -61.799
flat angles C4'-P-C4' energy: -68.200
flat angles P-C4'-P energy: -38.077
tors. eta vs tors. theta energy: -38.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 70
Temperature: 1.300000
Total energy: -603.611063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -603.611063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -603.611063 (E_RNA)
where:
Base-Base interactions energy: -361.258
where: short stacking energy: -182.337
Base-Backbone interact. energy: 0.191
local terms energy: -242.543310
where:
bonds (distance) C4'-P energy: -52.181
bonds (distance) P-C4' energy: -63.556
flat angles C4'-P-C4' energy: -54.196
flat angles P-C4'-P energy: -42.301
tors. eta vs tors. theta energy: -30.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 70
Temperature: 1.350000
Total energy: -401.580458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.580458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -401.580458 (E_RNA)
where:
Base-Base interactions energy: -199.350
where: short stacking energy: -120.911
Base-Backbone interact. energy: -0.751
local terms energy: -201.479809
where:
bonds (distance) C4'-P energy: -49.006
bonds (distance) P-C4' energy: -61.174
flat angles C4'-P-C4' energy: -68.801
flat angles P-C4'-P energy: -26.429
tors. eta vs tors. theta energy: 3.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 71
Temperature: 0.900000
Total energy: -1310.063886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1310.063886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1310.063886 (E_RNA)
where:
Base-Base interactions energy: -889.031
where: short stacking energy: -400.054
Base-Backbone interact. energy: -0.410
local terms energy: -420.623199
where:
bonds (distance) C4'-P energy: -78.925
bonds (distance) P-C4' energy: -86.039
flat angles C4'-P-C4' energy: -85.640
flat angles P-C4'-P energy: -62.691
tors. eta vs tors. theta energy: -107.328
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: 1
=====================================
Write number: 71
Temperature: 0.950000
Total energy: -1229.509071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1229.509071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1229.509071 (E_RNA)
where:
Base-Base interactions energy: -841.530
where: short stacking energy: -362.528
Base-Backbone interact. energy: -0.105
local terms energy: -387.873887
where:
bonds (distance) C4'-P energy: -78.269
bonds (distance) P-C4' energy: -72.122
flat angles C4'-P-C4' energy: -75.777
flat angles P-C4'-P energy: -61.301
tors. eta vs tors. theta energy: -100.405
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: 10
=====================================
Write number: 71
Temperature: 1.000000
Total energy: -1181.368099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1181.368099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1181.368099 (E_RNA)
where:
Base-Base interactions energy: -801.723
where: short stacking energy: -337.195
Base-Backbone interact. energy: -0.253
local terms energy: -379.391983
where:
bonds (distance) C4'-P energy: -67.674
bonds (distance) P-C4' energy: -70.472
flat angles C4'-P-C4' energy: -93.301
flat angles P-C4'-P energy: -53.572
tors. eta vs tors. theta energy: -94.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 71
Temperature: 1.050000
Total energy: -1129.849430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1129.849430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1129.849430 (E_RNA)
where:
Base-Base interactions energy: -761.729
where: short stacking energy: -345.955
Base-Backbone interact. energy: -0.691
local terms energy: -367.430038
where:
bonds (distance) C4'-P energy: -60.321
bonds (distance) P-C4' energy: -70.895
flat angles C4'-P-C4' energy: -83.860
flat angles P-C4'-P energy: -57.109
tors. eta vs tors. theta energy: -95.246
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: 9
=====================================
Write number: 71
Temperature: 1.100000
Total energy: -1117.505699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1117.505699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1117.505699 (E_RNA)
where:
Base-Base interactions energy: -762.423
where: short stacking energy: -326.926
Base-Backbone interact. energy: -2.134
local terms energy: -352.948674
where:
bonds (distance) C4'-P energy: -75.253
bonds (distance) P-C4' energy: -66.183
flat angles C4'-P-C4' energy: -76.176
flat angles P-C4'-P energy: -43.942
tors. eta vs tors. theta energy: -91.395
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: 4
=====================================
Write number: 71
Temperature: 1.150000
Total energy: -926.559996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -926.559996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -926.559996 (E_RNA)
where:
Base-Base interactions energy: -604.818
where: short stacking energy: -264.647
Base-Backbone interact. energy: -3.336
local terms energy: -318.406089
where:
bonds (distance) C4'-P energy: -70.867
bonds (distance) P-C4' energy: -60.862
flat angles C4'-P-C4' energy: -80.515
flat angles P-C4'-P energy: -40.316
tors. eta vs tors. theta energy: -65.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 71
Temperature: 1.200000
Total energy: -775.088297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -775.088297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -775.088297 (E_RNA)
where:
Base-Base interactions energy: -492.161
where: short stacking energy: -216.890
Base-Backbone interact. energy: -0.669
local terms energy: -282.258782
where:
bonds (distance) C4'-P energy: -57.289
bonds (distance) P-C4' energy: -71.978
flat angles C4'-P-C4' energy: -75.775
flat angles P-C4'-P energy: -27.886
tors. eta vs tors. theta energy: -49.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 71
Temperature: 1.250000
Total energy: -687.893686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -687.893686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -687.893686 (E_RNA)
where:
Base-Base interactions energy: -428.313
where: short stacking energy: -191.878
Base-Backbone interact. energy: -1.179
local terms energy: -258.401427
where:
bonds (distance) C4'-P energy: -66.819
bonds (distance) P-C4' energy: -70.588
flat angles C4'-P-C4' energy: -53.447
flat angles P-C4'-P energy: -38.736
tors. eta vs tors. theta energy: -28.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 71
Temperature: 1.300000
Total energy: -569.029444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -569.029444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -569.029444 (E_RNA)
where:
Base-Base interactions energy: -313.414
where: short stacking energy: -164.956
Base-Backbone interact. energy: -1.455
local terms energy: -254.160524
where:
bonds (distance) C4'-P energy: -62.689
bonds (distance) P-C4' energy: -65.522
flat angles C4'-P-C4' energy: -70.830
flat angles P-C4'-P energy: -35.869
tors. eta vs tors. theta energy: -19.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 71
Temperature: 1.350000
Total energy: -401.295349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.295349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -401.295349 (E_RNA)
where:
Base-Base interactions energy: -200.044
where: short stacking energy: -115.180
Base-Backbone interact. energy: -0.249
local terms energy: -201.002809
where:
bonds (distance) C4'-P energy: -66.753
bonds (distance) P-C4' energy: -66.055
flat angles C4'-P-C4' energy: -45.843
flat angles P-C4'-P energy: -30.210
tors. eta vs tors. theta energy: 7.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 72
Temperature: 0.900000
Total energy: -1314.130137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1314.130137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1314.130137 (E_RNA)
where:
Base-Base interactions energy: -875.270
where: short stacking energy: -396.212
Base-Backbone interact. energy: -1.924
local terms energy: -436.936859
where:
bonds (distance) C4'-P energy: -82.411
bonds (distance) P-C4' energy: -87.695
flat angles C4'-P-C4' energy: -96.322
flat angles P-C4'-P energy: -54.720
tors. eta vs tors. theta energy: -115.788
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: 1
=====================================
Write number: 72
Temperature: 0.950000
Total energy: -1249.890311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1249.890311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1249.890311 (E_RNA)
where:
Base-Base interactions energy: -861.040
where: short stacking energy: -374.422
Base-Backbone interact. energy: -0.954
local terms energy: -387.896147
where:
bonds (distance) C4'-P energy: -71.682
bonds (distance) P-C4' energy: -67.938
flat angles C4'-P-C4' energy: -81.660
flat angles P-C4'-P energy: -65.211
tors. eta vs tors. theta energy: -101.405
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: 10
=====================================
Write number: 72
Temperature: 1.000000
Total energy: -1199.139281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1199.139281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1199.139281 (E_RNA)
where:
Base-Base interactions energy: -829.710
where: short stacking energy: -337.493
Base-Backbone interact. energy: -1.705
local terms energy: -367.724129
where:
bonds (distance) C4'-P energy: -72.863
bonds (distance) P-C4' energy: -71.629
flat angles C4'-P-C4' energy: -78.825
flat angles P-C4'-P energy: -55.582
tors. eta vs tors. theta energy: -88.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 72
Temperature: 1.050000
Total energy: -1131.944555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1131.944555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1131.944555 (E_RNA)
where:
Base-Base interactions energy: -755.228
where: short stacking energy: -334.133
Base-Backbone interact. energy: 0.495
local terms energy: -377.211470
where:
bonds (distance) C4'-P energy: -74.758
bonds (distance) P-C4' energy: -74.694
flat angles C4'-P-C4' energy: -74.243
flat angles P-C4'-P energy: -53.909
tors. eta vs tors. theta energy: -99.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 72
Temperature: 1.100000
Total energy: -1106.698220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1106.698220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1106.698220 (E_RNA)
where:
Base-Base interactions energy: -764.408
where: short stacking energy: -334.281
Base-Backbone interact. energy: -2.293
local terms energy: -339.997788
where:
bonds (distance) C4'-P energy: -62.245
bonds (distance) P-C4' energy: -68.357
flat angles C4'-P-C4' energy: -71.072
flat angles P-C4'-P energy: -52.333
tors. eta vs tors. theta energy: -85.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 72
Temperature: 1.150000
Total energy: -934.976507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -934.976507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -934.976507 (E_RNA)
where:
Base-Base interactions energy: -618.547
where: short stacking energy: -255.867
Base-Backbone interact. energy: -2.254
local terms energy: -314.175227
where:
bonds (distance) C4'-P energy: -64.194
bonds (distance) P-C4' energy: -68.935
flat angles C4'-P-C4' energy: -74.479
flat angles P-C4'-P energy: -41.904
tors. eta vs tors. theta energy: -64.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 72
Temperature: 1.200000
Total energy: -832.091582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -832.091582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -832.091582 (E_RNA)
where:
Base-Base interactions energy: -505.613
where: short stacking energy: -239.193
Base-Backbone interact. energy: -0.550
local terms energy: -325.928742
where:
bonds (distance) C4'-P energy: -74.881
bonds (distance) P-C4' energy: -75.230
flat angles C4'-P-C4' energy: -76.837
flat angles P-C4'-P energy: -44.788
tors. eta vs tors. theta energy: -54.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 72
Temperature: 1.250000
Total energy: -655.530826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -655.530826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -655.530826 (E_RNA)
where:
Base-Base interactions energy: -362.095
where: short stacking energy: -192.939
Base-Backbone interact. energy: -0.480
local terms energy: -292.956199
where:
bonds (distance) C4'-P energy: -65.688
bonds (distance) P-C4' energy: -71.883
flat angles C4'-P-C4' energy: -70.355
flat angles P-C4'-P energy: -45.557
tors. eta vs tors. theta energy: -39.473
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: 9, replica: 6
=====================================
Write number: 72
Temperature: 1.300000
Total energy: -553.657774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.657774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.657774 (E_RNA)
where:
Base-Base interactions energy: -291.168
where: short stacking energy: -141.073
Base-Backbone interact. energy: 1.441
local terms energy: -263.930966
where:
bonds (distance) C4'-P energy: -63.602
bonds (distance) P-C4' energy: -73.009
flat angles C4'-P-C4' energy: -71.396
flat angles P-C4'-P energy: -38.760
tors. eta vs tors. theta energy: -17.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 72
Temperature: 1.350000
Total energy: -398.812237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.812237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.812237 (E_RNA)
where:
Base-Base interactions energy: -189.489
where: short stacking energy: -96.426
Base-Backbone interact. energy: 2.566
local terms energy: -211.889581
where:
bonds (distance) C4'-P energy: -58.636
bonds (distance) P-C4' energy: -68.489
flat angles C4'-P-C4' energy: -49.077
flat angles P-C4'-P energy: -47.680
tors. eta vs tors. theta energy: 11.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 73
Temperature: 0.900000
Total energy: -1326.098315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1326.098315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1326.098315 (E_RNA)
where:
Base-Base interactions energy: -898.802
where: short stacking energy: -389.194
Base-Backbone interact. energy: -2.086
local terms energy: -425.210578
where:
bonds (distance) C4'-P energy: -76.796
bonds (distance) P-C4' energy: -85.563
flat angles C4'-P-C4' energy: -94.031
flat angles P-C4'-P energy: -54.966
tors. eta vs tors. theta energy: -113.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 73
Temperature: 0.950000
Total energy: -1270.004120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1270.004120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1270.004120 (E_RNA)
where:
Base-Base interactions energy: -865.903
where: short stacking energy: -385.551
Base-Backbone interact. energy: -1.692
local terms energy: -402.409083
where:
bonds (distance) C4'-P energy: -81.184
bonds (distance) P-C4' energy: -73.436
flat angles C4'-P-C4' energy: -77.537
flat angles P-C4'-P energy: -60.142
tors. eta vs tors. theta energy: -110.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 73
Temperature: 1.000000
Total energy: -1200.124583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1200.124583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1200.124583 (E_RNA)
where:
Base-Base interactions energy: -829.568
where: short stacking energy: -338.416
Base-Backbone interact. energy: 2.632
local terms energy: -373.189005
where:
bonds (distance) C4'-P energy: -63.464
bonds (distance) P-C4' energy: -86.405
flat angles C4'-P-C4' energy: -79.748
flat angles P-C4'-P energy: -50.145
tors. eta vs tors. theta energy: -93.427
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: 73
Temperature: 1.050000
Total energy: -1143.609115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1143.609115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1143.609115 (E_RNA)
where:
Base-Base interactions energy: -783.060
where: short stacking energy: -348.327
Base-Backbone interact. energy: -1.278
local terms energy: -359.271045
where:
bonds (distance) C4'-P energy: -62.521
bonds (distance) P-C4' energy: -72.747
flat angles C4'-P-C4' energy: -80.318
flat angles P-C4'-P energy: -51.631
tors. eta vs tors. theta energy: -92.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 73
Temperature: 1.100000
Total energy: -1110.080108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1110.080108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1110.080108 (E_RNA)
where:
Base-Base interactions energy: -754.365
where: short stacking energy: -328.576
Base-Backbone interact. energy: -1.203
local terms energy: -355.079909
where:
bonds (distance) C4'-P energy: -68.105
bonds (distance) P-C4' energy: -68.787
flat angles C4'-P-C4' energy: -69.803
flat angles P-C4'-P energy: -56.196
tors. eta vs tors. theta energy: -92.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.568 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 73
Temperature: 1.150000
Total energy: -962.034700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -962.034700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -962.034700 (E_RNA)
where:
Base-Base interactions energy: -623.930
where: short stacking energy: -278.175
Base-Backbone interact. energy: -1.605
local terms energy: -336.499832
where:
bonds (distance) C4'-P energy: -63.183
bonds (distance) P-C4' energy: -77.944
flat angles C4'-P-C4' energy: -73.266
flat angles P-C4'-P energy: -47.510
tors. eta vs tors. theta energy: -74.597
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: 2
=====================================
Write number: 73
Temperature: 1.200000
Total energy: -816.414337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -816.414337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -816.414337 (E_RNA)
where:
Base-Base interactions energy: -537.979
where: short stacking energy: -238.641
Base-Backbone interact. energy: -1.139
local terms energy: -277.296386
where:
bonds (distance) C4'-P energy: -59.276
bonds (distance) P-C4' energy: -70.917
flat angles C4'-P-C4' energy: -67.339
flat angles P-C4'-P energy: -29.759
tors. eta vs tors. theta energy: -50.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 73
Temperature: 1.250000
Total energy: -610.144823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -610.144823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -610.144823 (E_RNA)
where:
Base-Base interactions energy: -353.428
where: short stacking energy: -187.125
Base-Backbone interact. energy: 0.397
local terms energy: -257.114026
where:
bonds (distance) C4'-P energy: -54.677
bonds (distance) P-C4' energy: -64.990
flat angles C4'-P-C4' energy: -73.031
flat angles P-C4'-P energy: -42.461
tors. eta vs tors. theta energy: -21.955
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: 9, replica: 5
=====================================
Write number: 73
Temperature: 1.300000
Total energy: -592.920649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -592.920649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -592.920649 (E_RNA)
where:
Base-Base interactions energy: -355.800
where: short stacking energy: -183.856
Base-Backbone interact. energy: 1.275
local terms energy: -238.396095
where:
bonds (distance) C4'-P energy: -63.696
bonds (distance) P-C4' energy: -61.798
flat angles C4'-P-C4' energy: -58.233
flat angles P-C4'-P energy: -37.351
tors. eta vs tors. theta energy: -17.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 73
Temperature: 1.350000
Total energy: -469.642394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.642394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.642394 (E_RNA)
where:
Base-Base interactions energy: -265.307
where: short stacking energy: -117.416
Base-Backbone interact. energy: -1.978
local terms energy: -202.357691
where:
bonds (distance) C4'-P energy: -55.987
bonds (distance) P-C4' energy: -61.816
flat angles C4'-P-C4' energy: -45.311
flat angles P-C4'-P energy: -40.006
tors. eta vs tors. theta energy: 0.762
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: 1, replica: 7
=====================================
Write number: 74
Temperature: 0.900000
Total energy: -1323.140969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1323.140969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1323.140969 (E_RNA)
where:
Base-Base interactions energy: -884.747
where: short stacking energy: -401.052
Base-Backbone interact. energy: -2.497
local terms energy: -435.897052
where:
bonds (distance) C4'-P energy: -74.317
bonds (distance) P-C4' energy: -83.800
flat angles C4'-P-C4' energy: -94.033
flat angles P-C4'-P energy: -67.744
tors. eta vs tors. theta energy: -116.004
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: 2, replica: 1
=====================================
Write number: 74
Temperature: 0.950000
Total energy: -1235.714922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1235.714922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1235.714922 (E_RNA)
where:
Base-Base interactions energy: -854.900
where: short stacking energy: -356.409
Base-Backbone interact. energy: 0.832
local terms energy: -381.646764
where:
bonds (distance) C4'-P energy: -70.708
bonds (distance) P-C4' energy: -77.294
flat angles C4'-P-C4' energy: -72.071
flat angles P-C4'-P energy: -56.993
tors. eta vs tors. theta energy: -104.580
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: 10
=====================================
Write number: 74
Temperature: 1.000000
Total energy: -1211.231044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1211.231044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1211.231044 (E_RNA)
where:
Base-Base interactions energy: -832.400
where: short stacking energy: -365.262
Base-Backbone interact. energy: -0.031
local terms energy: -378.800035
where:
bonds (distance) C4'-P energy: -69.447
bonds (distance) P-C4' energy: -78.822
flat angles C4'-P-C4' energy: -76.707
flat angles P-C4'-P energy: -53.409
tors. eta vs tors. theta energy: -100.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 74
Temperature: 1.050000
Total energy: -1196.614606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1196.614606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1196.614606 (E_RNA)
where:
Base-Base interactions energy: -830.391
where: short stacking energy: -368.479
Base-Backbone interact. energy: -0.193
local terms energy: -366.030985
where:
bonds (distance) C4'-P energy: -67.664
bonds (distance) P-C4' energy: -66.551
flat angles C4'-P-C4' energy: -72.861
flat angles P-C4'-P energy: -59.637
tors. eta vs tors. theta energy: -99.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 74
Temperature: 1.100000
Total energy: -1097.512960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1097.512960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1097.512960 (E_RNA)
where:
Base-Base interactions energy: -733.333
where: short stacking energy: -309.049
Base-Backbone interact. energy: -1.366
local terms energy: -362.813776
where:
bonds (distance) C4'-P energy: -74.982
bonds (distance) P-C4' energy: -63.673
flat angles C4'-P-C4' energy: -82.082
flat angles P-C4'-P energy: -50.283
tors. eta vs tors. theta energy: -91.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 74
Temperature: 1.150000
Total energy: -961.061159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -961.061159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -961.061159 (E_RNA)
where:
Base-Base interactions energy: -632.137
where: short stacking energy: -270.725
Base-Backbone interact. energy: -1.442
local terms energy: -327.482192
where:
bonds (distance) C4'-P energy: -78.290
bonds (distance) P-C4' energy: -67.523
flat angles C4'-P-C4' energy: -66.027
flat angles P-C4'-P energy: -53.498
tors. eta vs tors. theta energy: -62.144
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: 7, replica: 2
=====================================
Write number: 74
Temperature: 1.200000
Total energy: -767.884264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -767.884264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -767.884264 (E_RNA)
where:
Base-Base interactions energy: -473.971
where: short stacking energy: -215.464
Base-Backbone interact. energy: -2.909
local terms energy: -291.004957
where:
bonds (distance) C4'-P energy: -70.876
bonds (distance) P-C4' energy: -72.501
flat angles C4'-P-C4' energy: -64.936
flat angles P-C4'-P energy: -47.015
tors. eta vs tors. theta energy: -35.677
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: 6
=====================================
Write number: 74
Temperature: 1.250000
Total energy: -585.508731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -585.508731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -585.508731 (E_RNA)
where:
Base-Base interactions energy: -339.291
where: short stacking energy: -186.181
Base-Backbone interact. energy: -0.735
local terms energy: -245.482666
where:
bonds (distance) C4'-P energy: -48.986
bonds (distance) P-C4' energy: -54.747
flat angles C4'-P-C4' energy: -62.403
flat angles P-C4'-P energy: -48.651
tors. eta vs tors. theta energy: -30.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 74
Temperature: 1.300000
Total energy: -590.628116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -590.628116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -590.628116 (E_RNA)
where:
Base-Base interactions energy: -330.514
where: short stacking energy: -170.305
Base-Backbone interact. energy: 0.954
local terms energy: -261.068014
where:
bonds (distance) C4'-P energy: -69.749
bonds (distance) P-C4' energy: -61.437
flat angles C4'-P-C4' energy: -65.384
flat angles P-C4'-P energy: -33.339
tors. eta vs tors. theta energy: -31.159
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: 10, replica: 5
=====================================
Write number: 74
Temperature: 1.350000
Total energy: -520.790853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.790853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.790853 (E_RNA)
where:
Base-Base interactions energy: -287.263
where: short stacking energy: -151.967
Base-Backbone interact. energy: 0.118
local terms energy: -234.369170
where:
bonds (distance) C4'-P energy: -49.991
bonds (distance) P-C4' energy: -60.662
flat angles C4'-P-C4' energy: -68.563
flat angles P-C4'-P energy: -40.763
tors. eta vs tors. theta energy: -14.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.723 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 75
Temperature: 0.900000
Total energy: -1333.507536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1333.507536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1333.507536 (E_RNA)
where:
Base-Base interactions energy: -907.858
where: short stacking energy: -377.137
Base-Backbone interact. energy: -2.800
local terms energy: -422.850026
where:
bonds (distance) C4'-P energy: -75.016
bonds (distance) P-C4' energy: -81.300
flat angles C4'-P-C4' energy: -86.817
flat angles P-C4'-P energy: -67.955
tors. eta vs tors. theta energy: -111.762
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: 1
=====================================
Write number: 75
Temperature: 0.950000
Total energy: -1218.067516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1218.067516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1218.067516 (E_RNA)
where:
Base-Base interactions energy: -832.314
where: short stacking energy: -342.028
Base-Backbone interact. energy: -1.530
local terms energy: -384.223334
where:
bonds (distance) C4'-P energy: -72.864
bonds (distance) P-C4' energy: -83.202
flat angles C4'-P-C4' energy: -78.046
flat angles P-C4'-P energy: -55.546
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: 3, replica: 10
=====================================
Write number: 75
Temperature: 1.000000
Total energy: -1235.039661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1235.039661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1235.039661 (E_RNA)
where:
Base-Base interactions energy: -851.995
where: short stacking energy: -358.936
Base-Backbone interact. energy: -0.780
local terms energy: -382.264560
where:
bonds (distance) C4'-P energy: -79.667
bonds (distance) P-C4' energy: -67.113
flat angles C4'-P-C4' energy: -81.104
flat angles P-C4'-P energy: -56.765
tors. eta vs tors. theta energy: -97.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 75
Temperature: 1.050000
Total energy: -1180.956767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1180.956767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1180.956767 (E_RNA)
where:
Base-Base interactions energy: -777.821
where: short stacking energy: -345.472
Base-Backbone interact. energy: -2.422
local terms energy: -400.713973
where:
bonds (distance) C4'-P energy: -78.620
bonds (distance) P-C4' energy: -80.154
flat angles C4'-P-C4' energy: -80.678
flat angles P-C4'-P energy: -59.169
tors. eta vs tors. theta energy: -102.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 75
Temperature: 1.100000
Total energy: -1179.418342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1179.418342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1179.418342 (E_RNA)
where:
Base-Base interactions energy: -784.594
where: short stacking energy: -357.028
Base-Backbone interact. energy: -0.315
local terms energy: -394.509763
where:
bonds (distance) C4'-P energy: -75.106
bonds (distance) P-C4' energy: -74.974
flat angles C4'-P-C4' energy: -79.546
flat angles P-C4'-P energy: -60.870
tors. eta vs tors. theta energy: -104.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 75
Temperature: 1.150000
Total energy: -951.446365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -951.446365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -951.446365 (E_RNA)
where:
Base-Base interactions energy: -635.076
where: short stacking energy: -283.030
Base-Backbone interact. energy: -2.341
local terms energy: -314.029799
where:
bonds (distance) C4'-P energy: -68.783
bonds (distance) P-C4' energy: -56.098
flat angles C4'-P-C4' energy: -67.818
flat angles P-C4'-P energy: -48.426
tors. eta vs tors. theta energy: -72.905
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: 2
=====================================
Write number: 75
Temperature: 1.200000
Total energy: -762.204002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -762.204002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -762.204002 (E_RNA)
where:
Base-Base interactions energy: -467.211
where: short stacking energy: -200.523
Base-Backbone interact. energy: -2.034
local terms energy: -292.958196
where:
bonds (distance) C4'-P energy: -67.502
bonds (distance) P-C4' energy: -64.780
flat angles C4'-P-C4' energy: -75.321
flat angles P-C4'-P energy: -49.530
tors. eta vs tors. theta energy: -35.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 75
Temperature: 1.250000
Total energy: -576.873828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -576.873828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -576.873828 (E_RNA)
where:
Base-Base interactions energy: -334.585
where: short stacking energy: -176.196
Base-Backbone interact. energy: -0.066
local terms energy: -242.222953
where:
bonds (distance) C4'-P energy: -65.125
bonds (distance) P-C4' energy: -57.005
flat angles C4'-P-C4' energy: -52.634
flat angles P-C4'-P energy: -46.163
tors. eta vs tors. theta energy: -21.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 75
Temperature: 1.300000
Total energy: -526.406355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.406355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.406355 (E_RNA)
where:
Base-Base interactions energy: -305.865
where: short stacking energy: -146.249
Base-Backbone interact. energy: -3.610
local terms energy: -216.931071
where:
bonds (distance) C4'-P energy: -47.530
bonds (distance) P-C4' energy: -75.880
flat angles C4'-P-C4' energy: -58.840
flat angles P-C4'-P energy: -35.443
tors. eta vs tors. theta energy: 0.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 75
Temperature: 1.350000
Total energy: -528.235855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.235855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.235855 (E_RNA)
where:
Base-Base interactions energy: -286.317
where: short stacking energy: -145.522
Base-Backbone interact. energy: -2.041
local terms energy: -239.877453
where:
bonds (distance) C4'-P energy: -66.335
bonds (distance) P-C4' energy: -71.887
flat angles C4'-P-C4' energy: -52.092
flat angles P-C4'-P energy: -32.657
tors. eta vs tors. theta energy: -16.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 76
Temperature: 0.900000
Total energy: -1378.653019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1378.653019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1378.653019 (E_RNA)
where:
Base-Base interactions energy: -949.707
where: short stacking energy: -411.006
Base-Backbone interact. energy: -3.884
local terms energy: -425.061401
where:
bonds (distance) C4'-P energy: -80.863
bonds (distance) P-C4' energy: -72.836
flat angles C4'-P-C4' energy: -92.445
flat angles P-C4'-P energy: -66.288
tors. eta vs tors. theta energy: -112.630
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: 1
=====================================
Write number: 76
Temperature: 0.950000
Total energy: -1218.853273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1218.853273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1218.853273 (E_RNA)
where:
Base-Base interactions energy: -831.758
where: short stacking energy: -350.886
Base-Backbone interact. energy: -1.427
local terms energy: -385.668213
where:
bonds (distance) C4'-P energy: -77.512
bonds (distance) P-C4' energy: -66.632
flat angles C4'-P-C4' energy: -86.908
flat angles P-C4'-P energy: -53.231
tors. eta vs tors. theta energy: -101.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 76
Temperature: 1.000000
Total energy: -1204.845698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1204.845698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1204.845698 (E_RNA)
where:
Base-Base interactions energy: -826.098
where: short stacking energy: -365.104
Base-Backbone interact. energy: -1.775
local terms energy: -376.972796
where:
bonds (distance) C4'-P energy: -75.902
bonds (distance) P-C4' energy: -78.033
flat angles C4'-P-C4' energy: -79.757
flat angles P-C4'-P energy: -44.840
tors. eta vs tors. theta energy: -98.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 76
Temperature: 1.050000
Total energy: -1179.832665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1179.832665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1179.832665 (E_RNA)
where:
Base-Base interactions energy: -791.701
where: short stacking energy: -324.143
Base-Backbone interact. energy: -0.542
local terms energy: -387.590478
where:
bonds (distance) C4'-P energy: -68.544
bonds (distance) P-C4' energy: -84.375
flat angles C4'-P-C4' energy: -89.009
flat angles P-C4'-P energy: -63.610
tors. eta vs tors. theta energy: -82.052
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: 3
=====================================
Write number: 76
Temperature: 1.100000
Total energy: -1162.716551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1162.716551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1162.716551 (E_RNA)
where:
Base-Base interactions energy: -792.752
where: short stacking energy: -356.369
Base-Backbone interact. energy: -0.505
local terms energy: -369.459340
where:
bonds (distance) C4'-P energy: -71.248
bonds (distance) P-C4' energy: -70.706
flat angles C4'-P-C4' energy: -77.494
flat angles P-C4'-P energy: -49.342
tors. eta vs tors. theta energy: -100.669
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: 4
=====================================
Write number: 76
Temperature: 1.150000
Total energy: -933.027463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -933.027463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -933.027463 (E_RNA)
where:
Base-Base interactions energy: -615.222
where: short stacking energy: -250.173
Base-Backbone interact. energy: -0.431
local terms energy: -317.374398
where:
bonds (distance) C4'-P energy: -68.619
bonds (distance) P-C4' energy: -66.963
flat angles C4'-P-C4' energy: -67.764
flat angles P-C4'-P energy: -50.754
tors. eta vs tors. theta energy: -63.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 76
Temperature: 1.200000
Total energy: -771.468387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -771.468387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -771.468387 (E_RNA)
where:
Base-Base interactions energy: -471.919
where: short stacking energy: -229.302
Base-Backbone interact. energy: -0.712
local terms energy: -298.837857
where:
bonds (distance) C4'-P energy: -66.575
bonds (distance) P-C4' energy: -76.646
flat angles C4'-P-C4' energy: -55.717
flat angles P-C4'-P energy: -51.082
tors. eta vs tors. theta energy: -48.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 76
Temperature: 1.250000
Total energy: -593.975898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -593.975898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -593.975898 (E_RNA)
where:
Base-Base interactions energy: -355.205
where: short stacking energy: -184.316
Base-Backbone interact. energy: -1.471
local terms energy: -237.299890
where:
bonds (distance) C4'-P energy: -65.160
bonds (distance) P-C4' energy: -60.429
flat angles C4'-P-C4' energy: -49.871
flat angles P-C4'-P energy: -39.146
tors. eta vs tors. theta energy: -22.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 76
Temperature: 1.300000
Total energy: -568.322449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -568.322449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -568.322449 (E_RNA)
where:
Base-Base interactions energy: -292.714
where: short stacking energy: -158.032
Base-Backbone interact. energy: 1.352
local terms energy: -276.959966
where:
bonds (distance) C4'-P energy: -73.149
bonds (distance) P-C4' energy: -74.805
flat angles C4'-P-C4' energy: -72.458
flat angles P-C4'-P energy: -38.508
tors. eta vs tors. theta energy: -18.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 76
Temperature: 1.350000
Total energy: -486.574943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.574943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.574943 (E_RNA)
where:
Base-Base interactions energy: -260.929
where: short stacking energy: -128.957
Base-Backbone interact. energy: -1.585
local terms energy: -224.060325
where:
bonds (distance) C4'-P energy: -57.801
bonds (distance) P-C4' energy: -68.609
flat angles C4'-P-C4' energy: -59.941
flat angles P-C4'-P energy: -23.626
tors. eta vs tors. theta energy: -14.082
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: 7
=====================================
Write number: 77
Temperature: 0.900000
Total energy: -1375.185230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1375.185230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1375.185230 (E_RNA)
where:
Base-Base interactions energy: -951.572
where: short stacking energy: -408.665
Base-Backbone interact. energy: -2.066
local terms energy: -421.546773
where:
bonds (distance) C4'-P energy: -76.905
bonds (distance) P-C4' energy: -71.925
flat angles C4'-P-C4' energy: -93.276
flat angles P-C4'-P energy: -63.495
tors. eta vs tors. theta energy: -115.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 77
Temperature: 0.950000
Total energy: -1243.543713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1243.543713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1243.543713 (E_RNA)
where:
Base-Base interactions energy: -836.626
where: short stacking energy: -374.336
Base-Backbone interact. energy: -2.480
local terms energy: -404.437895
where:
bonds (distance) C4'-P energy: -67.517
bonds (distance) P-C4' energy: -81.509
flat angles C4'-P-C4' energy: -90.653
flat angles P-C4'-P energy: -58.990
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: 3, replica: 9
=====================================
Write number: 77
Temperature: 1.000000
Total energy: -1209.844952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1209.844952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1209.844952 (E_RNA)
where:
Base-Base interactions energy: -818.958
where: short stacking energy: -371.873
Base-Backbone interact. energy: -3.326
local terms energy: -387.651797
where:
bonds (distance) C4'-P energy: -74.182
bonds (distance) P-C4' energy: -75.000
flat angles C4'-P-C4' energy: -78.233
flat angles P-C4'-P energy: -56.765
tors. eta vs tors. theta energy: -103.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.091 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 77
Temperature: 1.050000
Total energy: -1164.440195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1164.440195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1164.440195 (E_RNA)
where:
Base-Base interactions energy: -811.948
where: short stacking energy: -342.681
Base-Backbone interact. energy: -1.966
local terms energy: -350.525611
where:
bonds (distance) C4'-P energy: -69.280
bonds (distance) P-C4' energy: -60.542
flat angles C4'-P-C4' energy: -78.247
flat angles P-C4'-P energy: -48.687
tors. eta vs tors. theta energy: -93.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 77
Temperature: 1.100000
Total energy: -1162.935235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1162.935235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1162.935235 (E_RNA)
where:
Base-Base interactions energy: -790.080
where: short stacking energy: -362.590
Base-Backbone interact. energy: -1.406
local terms energy: -371.448995
where:
bonds (distance) C4'-P energy: -68.135
bonds (distance) P-C4' energy: -82.124
flat angles C4'-P-C4' energy: -72.704
flat angles P-C4'-P energy: -48.726
tors. eta vs tors. theta energy: -99.760
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: 6, replica: 4
=====================================
Write number: 77
Temperature: 1.150000
Total energy: -900.572646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -900.572646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -900.572646 (E_RNA)
where:
Base-Base interactions energy: -591.042
where: short stacking energy: -263.125
Base-Backbone interact. energy: -1.830
local terms energy: -307.700301
where:
bonds (distance) C4'-P energy: -62.310
bonds (distance) P-C4' energy: -71.382
flat angles C4'-P-C4' energy: -64.401
flat angles P-C4'-P energy: -45.967
tors. eta vs tors. theta energy: -63.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 77
Temperature: 1.200000
Total energy: -723.218369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -723.218369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -723.218369 (E_RNA)
where:
Base-Base interactions energy: -442.809
where: short stacking energy: -214.283
Base-Backbone interact. energy: -1.193
local terms energy: -279.215468
where:
bonds (distance) C4'-P energy: -63.565
bonds (distance) P-C4' energy: -58.873
flat angles C4'-P-C4' energy: -65.712
flat angles P-C4'-P energy: -54.337
tors. eta vs tors. theta energy: -36.730
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: 8, replica: 6
=====================================
Write number: 77
Temperature: 1.250000
Total energy: -579.250929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -579.250929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -579.250929 (E_RNA)
where:
Base-Base interactions energy: -322.890
where: short stacking energy: -165.110
Base-Backbone interact. energy: 3.884
local terms energy: -260.244916
where:
bonds (distance) C4'-P energy: -67.780
bonds (distance) P-C4' energy: -75.971
flat angles C4'-P-C4' energy: -70.761
flat angles P-C4'-P energy: -27.820
tors. eta vs tors. theta energy: -17.913
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: 9, replica: 5
=====================================
Write number: 77
Temperature: 1.300000
Total energy: -577.960857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -577.960857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -577.960857 (E_RNA)
where:
Base-Base interactions energy: -310.076
where: short stacking energy: -163.340
Base-Backbone interact. energy: -1.019
local terms energy: -266.865606
where:
bonds (distance) C4'-P energy: -67.518
bonds (distance) P-C4' energy: -57.764
flat angles C4'-P-C4' energy: -74.037
flat angles P-C4'-P energy: -40.334
tors. eta vs tors. theta energy: -27.212
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: 10, replica: 8
=====================================
Write number: 77
Temperature: 1.350000
Total energy: -472.047066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.047066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.047066 (E_RNA)
where:
Base-Base interactions energy: -254.431
where: short stacking energy: -129.715
Base-Backbone interact. energy: 6.250
local terms energy: -223.866001
where:
bonds (distance) C4'-P energy: -75.112
bonds (distance) P-C4' energy: -55.231
flat angles C4'-P-C4' energy: -51.429
flat angles P-C4'-P energy: -30.047
tors. eta vs tors. theta energy: -12.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 78
Temperature: 0.900000
Total energy: -1367.083013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1367.083013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1367.083013 (E_RNA)
where:
Base-Base interactions energy: -948.680
where: short stacking energy: -405.946
Base-Backbone interact. energy: -1.357
local terms energy: -417.045639
where:
bonds (distance) C4'-P energy: -73.494
bonds (distance) P-C4' energy: -86.065
flat angles C4'-P-C4' energy: -90.573
flat angles P-C4'-P energy: -52.289
tors. eta vs tors. theta energy: -114.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 78
Temperature: 0.950000
Total energy: -1224.351362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1224.351362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1224.351362 (E_RNA)
where:
Base-Base interactions energy: -841.926
where: short stacking energy: -349.313
Base-Backbone interact. energy: -1.090
local terms energy: -381.335186
where:
bonds (distance) C4'-P energy: -63.530
bonds (distance) P-C4' energy: -81.969
flat angles C4'-P-C4' energy: -87.332
flat angles P-C4'-P energy: -52.259
tors. eta vs tors. theta energy: -96.245
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: 3, replica: 9
=====================================
Write number: 78
Temperature: 1.000000
Total energy: -1243.694417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1243.694417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1243.694417 (E_RNA)
where:
Base-Base interactions energy: -832.556
where: short stacking energy: -377.368
Base-Backbone interact. energy: -0.631
local terms energy: -410.507661
where:
bonds (distance) C4'-P energy: -82.705
bonds (distance) P-C4' energy: -83.597
flat angles C4'-P-C4' energy: -89.112
flat angles P-C4'-P energy: -48.406
tors. eta vs tors. theta energy: -106.688
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: 4, replica: 10
=====================================
Write number: 78
Temperature: 1.050000
Total energy: -1149.193336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1149.193336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1149.193336 (E_RNA)
where:
Base-Base interactions energy: -782.828
where: short stacking energy: -342.876
Base-Backbone interact. energy: -2.063
local terms energy: -364.301871
where:
bonds (distance) C4'-P energy: -71.357
bonds (distance) P-C4' energy: -74.552
flat angles C4'-P-C4' energy: -73.977
flat angles P-C4'-P energy: -48.814
tors. eta vs tors. theta energy: -95.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 78
Temperature: 1.100000
Total energy: -1173.848674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1173.848674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1173.848674 (E_RNA)
where:
Base-Base interactions energy: -797.730
where: short stacking energy: -353.289
Base-Backbone interact. energy: -0.714
local terms energy: -375.404501
where:
bonds (distance) C4'-P energy: -72.516
bonds (distance) P-C4' energy: -74.023
flat angles C4'-P-C4' energy: -86.405
flat angles P-C4'-P energy: -39.924
tors. eta vs tors. theta energy: -102.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 78
Temperature: 1.150000
Total energy: -926.328676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -926.328676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -926.328676 (E_RNA)
where:
Base-Base interactions energy: -602.327
where: short stacking energy: -274.805
Base-Backbone interact. energy: -2.102
local terms energy: -321.898943
where:
bonds (distance) C4'-P energy: -64.431
bonds (distance) P-C4' energy: -75.663
flat angles C4'-P-C4' energy: -63.978
flat angles P-C4'-P energy: -49.441
tors. eta vs tors. theta energy: -68.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 78
Temperature: 1.200000
Total energy: -697.498626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -697.498626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -697.498626 (E_RNA)
where:
Base-Base interactions energy: -409.235
where: short stacking energy: -219.828
Base-Backbone interact. energy: 0.288
local terms energy: -288.552254
where:
bonds (distance) C4'-P energy: -63.077
bonds (distance) P-C4' energy: -60.985
flat angles C4'-P-C4' energy: -65.970
flat angles P-C4'-P energy: -46.180
tors. eta vs tors. theta energy: -52.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 78
Temperature: 1.250000
Total energy: -611.266354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -611.266354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -611.266354 (E_RNA)
where:
Base-Base interactions energy: -347.475
where: short stacking energy: -186.925
Base-Backbone interact. energy: -1.908
local terms energy: -261.883522
where:
bonds (distance) C4'-P energy: -57.733
bonds (distance) P-C4' energy: -55.961
flat angles C4'-P-C4' energy: -62.995
flat angles P-C4'-P energy: -52.493
tors. eta vs tors. theta energy: -32.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 78
Temperature: 1.300000
Total energy: -604.856764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -604.856764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -604.856764 (E_RNA)
where:
Base-Base interactions energy: -351.466
where: short stacking energy: -167.208
Base-Backbone interact. energy: 0.959
local terms energy: -254.349767
where:
bonds (distance) C4'-P energy: -61.777
bonds (distance) P-C4' energy: -66.346
flat angles C4'-P-C4' energy: -64.961
flat angles P-C4'-P energy: -29.904
tors. eta vs tors. theta energy: -31.362
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: 10, replica: 8
=====================================
Write number: 78
Temperature: 1.350000
Total energy: -483.005657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.005657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.005657 (E_RNA)
where:
Base-Base interactions energy: -252.583
where: short stacking energy: -129.975
Base-Backbone interact. energy: -1.413
local terms energy: -229.009544
where:
bonds (distance) C4'-P energy: -56.529
bonds (distance) P-C4' energy: -80.959
flat angles C4'-P-C4' energy: -59.631
flat angles P-C4'-P energy: -31.406
tors. eta vs tors. theta energy: -0.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 79
Temperature: 0.900000
Total energy: -1364.821694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1364.821694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1364.821694 (E_RNA)
where:
Base-Base interactions energy: -968.415
where: short stacking energy: -401.022
Base-Backbone interact. energy: -1.539
local terms energy: -394.867869
where:
bonds (distance) C4'-P energy: -65.970
bonds (distance) P-C4' energy: -75.087
flat angles C4'-P-C4' energy: -90.731
flat angles P-C4'-P energy: -50.718
tors. eta vs tors. theta energy: -112.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 79
Temperature: 0.950000
Total energy: -1224.616267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1224.616267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1224.616267 (E_RNA)
where:
Base-Base interactions energy: -837.929
where: short stacking energy: -354.736
Base-Backbone interact. energy: 0.891
local terms energy: -387.577810
where:
bonds (distance) C4'-P energy: -77.914
bonds (distance) P-C4' energy: -75.093
flat angles C4'-P-C4' energy: -84.334
flat angles P-C4'-P energy: -49.942
tors. eta vs tors. theta energy: -100.294
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: 3, replica: 9
=====================================
Write number: 79
Temperature: 1.000000
Total energy: -1218.692717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1218.692717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1218.692717 (E_RNA)
where:
Base-Base interactions energy: -823.972
where: short stacking energy: -368.565
Base-Backbone interact. energy: -1.831
local terms energy: -392.889794
where:
bonds (distance) C4'-P energy: -75.776
bonds (distance) P-C4' energy: -69.359
flat angles C4'-P-C4' energy: -84.354
flat angles P-C4'-P energy: -55.956
tors. eta vs tors. theta energy: -107.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 79
Temperature: 1.050000
Total energy: -1197.894059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1197.894059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1197.894059 (E_RNA)
where:
Base-Base interactions energy: -810.953
where: short stacking energy: -344.309
Base-Backbone interact. energy: 0.119
local terms energy: -387.060030
where:
bonds (distance) C4'-P energy: -76.182
bonds (distance) P-C4' energy: -71.658
flat angles C4'-P-C4' energy: -86.693
flat angles P-C4'-P energy: -49.600
tors. eta vs tors. theta energy: -102.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 79
Temperature: 1.100000
Total energy: -1127.436880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1127.436880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1127.436880 (E_RNA)
where:
Base-Base interactions energy: -781.311
where: short stacking energy: -340.472
Base-Backbone interact. energy: -1.088
local terms energy: -345.037793
where:
bonds (distance) C4'-P energy: -57.900
bonds (distance) P-C4' energy: -74.107
flat angles C4'-P-C4' energy: -71.745
flat angles P-C4'-P energy: -47.708
tors. eta vs tors. theta energy: -93.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 79
Temperature: 1.150000
Total energy: -957.643872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -957.643872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -957.643872 (E_RNA)
where:
Base-Base interactions energy: -646.423
where: short stacking energy: -298.756
Base-Backbone interact. energy: 1.412
local terms energy: -312.633291
where:
bonds (distance) C4'-P energy: -64.173
bonds (distance) P-C4' energy: -64.449
flat angles C4'-P-C4' energy: -75.677
flat angles P-C4'-P energy: -42.468
tors. eta vs tors. theta energy: -65.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 79
Temperature: 1.200000
Total energy: -709.259784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -709.259784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -709.259784 (E_RNA)
where:
Base-Base interactions energy: -418.498
where: short stacking energy: -208.918
Base-Backbone interact. energy: -1.109
local terms energy: -290.605975
where:
bonds (distance) C4'-P energy: -68.056
bonds (distance) P-C4' energy: -80.785
flat angles C4'-P-C4' energy: -67.055
flat angles P-C4'-P energy: -42.178
tors. eta vs tors. theta energy: -32.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.953 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 79
Temperature: 1.250000
Total energy: -614.681303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -614.681303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -614.681303 (E_RNA)
where:
Base-Base interactions energy: -345.065
where: short stacking energy: -164.765
Base-Backbone interact. energy: -0.490
local terms energy: -269.126279
where:
bonds (distance) C4'-P energy: -62.206
bonds (distance) P-C4' energy: -69.184
flat angles C4'-P-C4' energy: -72.557
flat angles P-C4'-P energy: -39.919
tors. eta vs tors. theta energy: -25.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 79
Temperature: 1.300000
Total energy: -619.150885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -619.150885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -619.150885 (E_RNA)
where:
Base-Base interactions energy: -356.837
where: short stacking energy: -192.998
Base-Backbone interact. energy: -1.082
local terms energy: -262.718004
where:
bonds (distance) C4'-P energy: -55.682
bonds (distance) P-C4' energy: -72.864
flat angles C4'-P-C4' energy: -69.133
flat angles P-C4'-P energy: -38.534
tors. eta vs tors. theta energy: -26.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.486 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 79
Temperature: 1.350000
Total energy: -537.877681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.877681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.877681 (E_RNA)
where:
Base-Base interactions energy: -286.116
where: short stacking energy: -152.752
Base-Backbone interact. energy: -1.086
local terms energy: -250.675716
where:
bonds (distance) C4'-P energy: -57.962
bonds (distance) P-C4' energy: -73.936
flat angles C4'-P-C4' energy: -63.357
flat angles P-C4'-P energy: -39.776
tors. eta vs tors. theta energy: -15.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 80
Temperature: 0.900000
Total energy: -1359.640753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1359.640753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1359.640753 (E_RNA)
where:
Base-Base interactions energy: -929.454
where: short stacking energy: -388.901
Base-Backbone interact. energy: -1.787
local terms energy: -428.399201
where:
bonds (distance) C4'-P energy: -77.223
bonds (distance) P-C4' energy: -82.264
flat angles C4'-P-C4' energy: -85.783
flat angles P-C4'-P energy: -62.217
tors. eta vs tors. theta energy: -120.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 80
Temperature: 0.950000
Total energy: -1205.961882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1205.961882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1205.961882 (E_RNA)
where:
Base-Base interactions energy: -811.952
where: short stacking energy: -372.185
Base-Backbone interact. energy: -1.410
local terms energy: -392.600746
where:
bonds (distance) C4'-P energy: -78.119
bonds (distance) P-C4' energy: -74.035
flat angles C4'-P-C4' energy: -84.007
flat angles P-C4'-P energy: -56.838
tors. eta vs tors. theta energy: -99.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 80
Temperature: 1.000000
Total energy: -1266.938552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1266.938552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1266.938552 (E_RNA)
where:
Base-Base interactions energy: -874.586
where: short stacking energy: -377.456
Base-Backbone interact. energy: -1.237
local terms energy: -391.115729
where:
bonds (distance) C4'-P energy: -68.156
bonds (distance) P-C4' energy: -73.061
flat angles C4'-P-C4' energy: -79.964
flat angles P-C4'-P energy: -58.423
tors. eta vs tors. theta energy: -111.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 80
Temperature: 1.050000
Total energy: -1218.293825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1218.293825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1218.293825 (E_RNA)
where:
Base-Base interactions energy: -833.093
where: short stacking energy: -377.931
Base-Backbone interact. energy: -0.837
local terms energy: -384.362942
where:
bonds (distance) C4'-P energy: -75.673
bonds (distance) P-C4' energy: -63.823
flat angles C4'-P-C4' energy: -82.945
flat angles P-C4'-P energy: -51.676
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: 5, replica: 10
=====================================
Write number: 80
Temperature: 1.100000
Total energy: -1134.078230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1134.078230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1134.078230 (E_RNA)
where:
Base-Base interactions energy: -797.018
where: short stacking energy: -328.708
Base-Backbone interact. energy: -1.089
local terms energy: -335.971449
where:
bonds (distance) C4'-P energy: -72.752
bonds (distance) P-C4' energy: -64.521
flat angles C4'-P-C4' energy: -74.933
flat angles P-C4'-P energy: -37.366
tors. eta vs tors. theta energy: -86.400
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: 4
=====================================
Write number: 80
Temperature: 1.150000
Total energy: -941.871469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -941.871469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -941.871469 (E_RNA)
where:
Base-Base interactions energy: -615.586
where: short stacking energy: -259.220
Base-Backbone interact. energy: -1.885
local terms energy: -324.400482
where:
bonds (distance) C4'-P energy: -63.283
bonds (distance) P-C4' energy: -72.156
flat angles C4'-P-C4' energy: -72.272
flat angles P-C4'-P energy: -50.521
tors. eta vs tors. theta energy: -66.169
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: 7, replica: 6
=====================================
Write number: 80
Temperature: 1.200000
Total energy: -628.059576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -628.059576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -628.059576 (E_RNA)
where:
Base-Base interactions energy: -366.556
where: short stacking energy: -209.935
Base-Backbone interact. energy: -0.264
local terms energy: -261.239194
where:
bonds (distance) C4'-P energy: -67.274
bonds (distance) P-C4' energy: -58.560
flat angles C4'-P-C4' energy: -68.113
flat angles P-C4'-P energy: -40.439
tors. eta vs tors. theta energy: -26.853
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: 2
=====================================
Write number: 80
Temperature: 1.250000
Total energy: -624.014369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -624.014369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -624.014369 (E_RNA)
where:
Base-Base interactions energy: -351.562
where: short stacking energy: -174.034
Base-Backbone interact. energy: 0.244
local terms energy: -272.695482
where:
bonds (distance) C4'-P energy: -67.987
bonds (distance) P-C4' energy: -71.302
flat angles C4'-P-C4' energy: -66.086
flat angles P-C4'-P energy: -37.106
tors. eta vs tors. theta energy: -30.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 80
Temperature: 1.300000
Total energy: -561.891015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.891015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.891015 (E_RNA)
where:
Base-Base interactions energy: -302.683
where: short stacking energy: -158.205
Base-Backbone interact. energy: 0.028
local terms energy: -259.235249
where:
bonds (distance) C4'-P energy: -61.467
bonds (distance) P-C4' energy: -71.189
flat angles C4'-P-C4' energy: -60.958
flat angles P-C4'-P energy: -36.132
tors. eta vs tors. theta energy: -29.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 80
Temperature: 1.350000
Total energy: -493.959720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.959720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.959720 (E_RNA)
where:
Base-Base interactions energy: -269.125
where: short stacking energy: -152.216
Base-Backbone interact. energy: -2.464
local terms energy: -222.370859
where:
bonds (distance) C4'-P energy: -57.280
bonds (distance) P-C4' energy: -58.493
flat angles C4'-P-C4' energy: -54.425
flat angles P-C4'-P energy: -33.657
tors. eta vs tors. theta energy: -18.516
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: 7
=====================================
Write number: 81
Temperature: 0.900000
Total energy: -1374.232511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1374.232511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1374.232511 (E_RNA)
where:
Base-Base interactions energy: -970.085
where: short stacking energy: -404.619
Base-Backbone interact. energy: -1.407
local terms energy: -402.740548
where:
bonds (distance) C4'-P energy: -69.526
bonds (distance) P-C4' energy: -83.174
flat angles C4'-P-C4' energy: -79.434
flat angles P-C4'-P energy: -57.954
tors. eta vs tors. theta energy: -112.652
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: 1
=====================================
Write number: 81
Temperature: 0.950000
Total energy: -1221.220733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1221.220733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1221.220733 (E_RNA)
where:
Base-Base interactions energy: -828.700
where: short stacking energy: -358.151
Base-Backbone interact. energy: -0.160
local terms energy: -392.360847
where:
bonds (distance) C4'-P energy: -84.411
bonds (distance) P-C4' energy: -77.817
flat angles C4'-P-C4' energy: -83.306
flat angles P-C4'-P energy: -49.327
tors. eta vs tors. theta energy: -97.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 81
Temperature: 1.000000
Total energy: -1223.154431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1223.154431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1223.154431 (E_RNA)
where:
Base-Base interactions energy: -813.717
where: short stacking energy: -365.219
Base-Backbone interact. energy: 0.546
local terms energy: -409.983322
where:
bonds (distance) C4'-P energy: -68.781
bonds (distance) P-C4' energy: -82.834
flat angles C4'-P-C4' energy: -88.676
flat angles P-C4'-P energy: -60.260
tors. eta vs tors. theta energy: -109.432
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: 4, replica: 9
=====================================
Write number: 81
Temperature: 1.050000
Total energy: -1169.709090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1169.709090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1169.709090 (E_RNA)
where:
Base-Base interactions energy: -798.935
where: short stacking energy: -355.054
Base-Backbone interact. energy: 0.387
local terms energy: -371.160463
where:
bonds (distance) C4'-P energy: -73.255
bonds (distance) P-C4' energy: -76.734
flat angles C4'-P-C4' energy: -71.117
flat angles P-C4'-P energy: -55.533
tors. eta vs tors. theta energy: -94.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 81
Temperature: 1.100000
Total energy: -1137.976500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1137.976500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1137.976500 (E_RNA)
where:
Base-Base interactions energy: -781.906
where: short stacking energy: -318.737
Base-Backbone interact. energy: -1.797
local terms energy: -354.274055
where:
bonds (distance) C4'-P energy: -78.366
bonds (distance) P-C4' energy: -71.044
flat angles C4'-P-C4' energy: -77.755
flat angles P-C4'-P energy: -46.494
tors. eta vs tors. theta energy: -80.616
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: 6, replica: 4
=====================================
Write number: 81
Temperature: 1.150000
Total energy: -949.242989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -949.242989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -949.242989 (E_RNA)
where:
Base-Base interactions energy: -614.094
where: short stacking energy: -262.575
Base-Backbone interact. energy: -0.823
local terms energy: -334.325856
where:
bonds (distance) C4'-P energy: -71.187
bonds (distance) P-C4' energy: -67.362
flat angles C4'-P-C4' energy: -65.719
flat angles P-C4'-P energy: -55.994
tors. eta vs tors. theta energy: -74.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 81
Temperature: 1.200000
Total energy: -682.809936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -682.809936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -682.809936 (E_RNA)
where:
Base-Base interactions energy: -386.998
where: short stacking energy: -190.755
Base-Backbone interact. energy: -0.365
local terms energy: -295.447130
where:
bonds (distance) C4'-P energy: -70.416
bonds (distance) P-C4' energy: -76.476
flat angles C4'-P-C4' energy: -74.481
flat angles P-C4'-P energy: -46.029
tors. eta vs tors. theta energy: -28.046
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: 5
=====================================
Write number: 81
Temperature: 1.250000
Total energy: -575.840526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -575.840526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -575.840526 (E_RNA)
where:
Base-Base interactions energy: -346.906
where: short stacking energy: -192.384
Base-Backbone interact. energy: 0.278
local terms energy: -229.213248
where:
bonds (distance) C4'-P energy: -57.289
bonds (distance) P-C4' energy: -63.355
flat angles C4'-P-C4' energy: -47.228
flat angles P-C4'-P energy: -37.060
tors. eta vs tors. theta energy: -24.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 81
Temperature: 1.300000
Total energy: -524.181844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.181844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.181844 (E_RNA)
where:
Base-Base interactions energy: -302.092
where: short stacking energy: -148.273
Base-Backbone interact. energy: -0.762
local terms energy: -221.467121
where:
bonds (distance) C4'-P energy: -47.173
bonds (distance) P-C4' energy: -63.019
flat angles C4'-P-C4' energy: -52.211
flat angles P-C4'-P energy: -43.065
tors. eta vs tors. theta energy: -16.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.139 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 81
Temperature: 1.350000
Total energy: -470.394269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.394269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.394269 (E_RNA)
where:
Base-Base interactions energy: -255.650
where: short stacking energy: -112.596
Base-Backbone interact. energy: 2.875
local terms energy: -217.619703
where:
bonds (distance) C4'-P energy: -70.594
bonds (distance) P-C4' energy: -71.515
flat angles C4'-P-C4' energy: -50.394
flat angles P-C4'-P energy: -32.226
tors. eta vs tors. theta energy: 7.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 82
Temperature: 0.900000
Total energy: -1374.031826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1374.031826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1374.031826 (E_RNA)
where:
Base-Base interactions energy: -956.830
where: short stacking energy: -423.254
Base-Backbone interact. energy: -1.612
local terms energy: -415.589554
where:
bonds (distance) C4'-P energy: -72.395
bonds (distance) P-C4' energy: -79.490
flat angles C4'-P-C4' energy: -91.147
flat angles P-C4'-P energy: -59.114
tors. eta vs tors. theta energy: -113.443
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: 1
=====================================
Write number: 82
Temperature: 0.950000
Total energy: -1248.002386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1248.002386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1248.002386 (E_RNA)
where:
Base-Base interactions energy: -838.427
where: short stacking energy: -375.351
Base-Backbone interact. energy: -2.306
local terms energy: -407.268640
where:
bonds (distance) C4'-P energy: -74.987
bonds (distance) P-C4' energy: -82.550
flat angles C4'-P-C4' energy: -90.429
flat angles P-C4'-P energy: -53.788
tors. eta vs tors. theta energy: -105.514
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: 9
=====================================
Write number: 82
Temperature: 1.000000
Total energy: -1214.903597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1214.903597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1214.903597 (E_RNA)
where:
Base-Base interactions energy: -827.719
where: short stacking energy: -344.661
Base-Backbone interact. energy: -1.895
local terms energy: -385.289389
where:
bonds (distance) C4'-P energy: -75.653
bonds (distance) P-C4' energy: -76.426
flat angles C4'-P-C4' energy: -78.921
flat angles P-C4'-P energy: -52.489
tors. eta vs tors. theta energy: -101.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 82
Temperature: 1.050000
Total energy: -1206.284943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1206.284943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1206.284943 (E_RNA)
where:
Base-Base interactions energy: -804.764
where: short stacking energy: -348.704
Base-Backbone interact. energy: -0.681
local terms energy: -400.839712
where:
bonds (distance) C4'-P energy: -81.764
bonds (distance) P-C4' energy: -74.294
flat angles C4'-P-C4' energy: -84.234
flat angles P-C4'-P energy: -54.670
tors. eta vs tors. theta energy: -105.877
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: 10
=====================================
Write number: 82
Temperature: 1.100000
Total energy: -1090.181578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1090.181578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1090.181578 (E_RNA)
where:
Base-Base interactions energy: -741.583
where: short stacking energy: -328.184
Base-Backbone interact. energy: -1.916
local terms energy: -346.681979
where:
bonds (distance) C4'-P energy: -66.548
bonds (distance) P-C4' energy: -58.262
flat angles C4'-P-C4' energy: -70.239
flat angles P-C4'-P energy: -55.914
tors. eta vs tors. theta energy: -95.720
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: 82
Temperature: 1.150000
Total energy: -969.737032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -969.737032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -969.737032 (E_RNA)
where:
Base-Base interactions energy: -636.762
where: short stacking energy: -274.795
Base-Backbone interact. energy: -1.626
local terms energy: -331.348606
where:
bonds (distance) C4'-P energy: -71.092
bonds (distance) P-C4' energy: -79.038
flat angles C4'-P-C4' energy: -65.995
flat angles P-C4'-P energy: -45.881
tors. eta vs tors. theta energy: -69.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 82
Temperature: 1.200000
Total energy: -657.085715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -657.085715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -657.085715 (E_RNA)
where:
Base-Base interactions energy: -361.668
where: short stacking energy: -161.940
Base-Backbone interact. energy: -0.302
local terms energy: -295.115854
where:
bonds (distance) C4'-P energy: -69.060
bonds (distance) P-C4' energy: -76.221
flat angles C4'-P-C4' energy: -85.142
flat angles P-C4'-P energy: -41.099
tors. eta vs tors. theta energy: -23.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 82
Temperature: 1.250000
Total energy: -644.620816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -644.620816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -644.620816 (E_RNA)
where:
Base-Base interactions energy: -355.291
where: short stacking energy: -192.654
Base-Backbone interact. energy: -0.035
local terms energy: -289.295480
where:
bonds (distance) C4'-P energy: -69.628
bonds (distance) P-C4' energy: -70.365
flat angles C4'-P-C4' energy: -75.919
flat angles P-C4'-P energy: -38.757
tors. eta vs tors. theta energy: -34.627
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: 9, replica: 2
=====================================
Write number: 82
Temperature: 1.300000
Total energy: -551.595578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.595578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.595578 (E_RNA)
where:
Base-Base interactions energy: -310.738
where: short stacking energy: -162.823
Base-Backbone interact. energy: 2.980
local terms energy: -243.836934
where:
bonds (distance) C4'-P energy: -68.582
bonds (distance) P-C4' energy: -67.842
flat angles C4'-P-C4' energy: -62.827
flat angles P-C4'-P energy: -32.292
tors. eta vs tors. theta energy: -12.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 82
Temperature: 1.350000
Total energy: -469.499858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.499858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.499858 (E_RNA)
where:
Base-Base interactions energy: -240.380
where: short stacking energy: -114.509
Base-Backbone interact. energy: -2.250
local terms energy: -226.869669
where:
bonds (distance) C4'-P energy: -66.836
bonds (distance) P-C4' energy: -69.281
flat angles C4'-P-C4' energy: -71.070
flat angles P-C4'-P energy: -34.543
tors. eta vs tors. theta energy: 14.859
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: 7
=====================================
Write number: 83
Temperature: 0.900000
Total energy: -1398.749916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1398.749916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1398.749916 (E_RNA)
where:
Base-Base interactions energy: -956.814
where: short stacking energy: -425.321
Base-Backbone interact. energy: -1.820
local terms energy: -440.116074
where:
bonds (distance) C4'-P energy: -83.869
bonds (distance) P-C4' energy: -74.635
flat angles C4'-P-C4' energy: -95.292
flat angles P-C4'-P energy: -63.301
tors. eta vs tors. theta energy: -123.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 83
Temperature: 0.950000
Total energy: -1247.448872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1247.448872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1247.448872 (E_RNA)
where:
Base-Base interactions energy: -851.740
where: short stacking energy: -360.805
Base-Backbone interact. energy: -1.966
local terms energy: -393.743272
where:
bonds (distance) C4'-P energy: -67.707
bonds (distance) P-C4' energy: -72.630
flat angles C4'-P-C4' energy: -83.192
flat angles P-C4'-P energy: -62.709
tors. eta vs tors. theta energy: -107.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 83
Temperature: 1.000000
Total energy: -1174.432864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1174.432864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1174.432864 (E_RNA)
where:
Base-Base interactions energy: -794.370
where: short stacking energy: -333.355
Base-Backbone interact. energy: -1.850
local terms energy: -378.212590
where:
bonds (distance) C4'-P energy: -72.313
bonds (distance) P-C4' energy: -84.922
flat angles C4'-P-C4' energy: -84.455
flat angles P-C4'-P energy: -44.827
tors. eta vs tors. theta energy: -91.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 83
Temperature: 1.050000
Total energy: -1195.903208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1195.903208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1195.903208 (E_RNA)
where:
Base-Base interactions energy: -820.242
where: short stacking energy: -373.459
Base-Backbone interact. energy: -0.374
local terms energy: -375.286909
where:
bonds (distance) C4'-P energy: -59.245
bonds (distance) P-C4' energy: -80.662
flat angles C4'-P-C4' energy: -86.878
flat angles P-C4'-P energy: -42.496
tors. eta vs tors. theta energy: -106.007
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: 10
=====================================
Write number: 83
Temperature: 1.100000
Total energy: -1100.739245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1100.739245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1100.739245 (E_RNA)
where:
Base-Base interactions energy: -751.338
where: short stacking energy: -318.940
Base-Backbone interact. energy: -1.755
local terms energy: -347.645829
where:
bonds (distance) C4'-P energy: -59.819
bonds (distance) P-C4' energy: -74.961
flat angles C4'-P-C4' energy: -74.120
flat angles P-C4'-P energy: -50.975
tors. eta vs tors. theta energy: -87.771
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: 4
=====================================
Write number: 83
Temperature: 1.150000
Total energy: -965.291458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -965.291458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -965.291458 (E_RNA)
where:
Base-Base interactions energy: -643.773
where: short stacking energy: -277.356
Base-Backbone interact. energy: -0.374
local terms energy: -321.144314
where:
bonds (distance) C4'-P energy: -60.372
bonds (distance) P-C4' energy: -72.284
flat angles C4'-P-C4' energy: -69.788
flat angles P-C4'-P energy: -44.965
tors. eta vs tors. theta energy: -73.735
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: 5
=====================================
Write number: 83
Temperature: 1.200000
Total energy: -670.377669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -670.377669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -670.377669 (E_RNA)
where:
Base-Base interactions energy: -380.096
where: short stacking energy: -194.548
Base-Backbone interact. energy: -1.642
local terms energy: -288.639906
where:
bonds (distance) C4'-P energy: -62.113
bonds (distance) P-C4' energy: -66.382
flat angles C4'-P-C4' energy: -70.856
flat angles P-C4'-P energy: -41.636
tors. eta vs tors. theta energy: -47.652
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: 2
=====================================
Write number: 83
Temperature: 1.250000
Total energy: -601.855527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -601.855527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -601.855527 (E_RNA)
where:
Base-Base interactions energy: -339.478
where: short stacking energy: -176.849
Base-Backbone interact. energy: 1.045
local terms energy: -263.422481
where:
bonds (distance) C4'-P energy: -62.580
bonds (distance) P-C4' energy: -69.969
flat angles C4'-P-C4' energy: -64.160
flat angles P-C4'-P energy: -47.528
tors. eta vs tors. theta energy: -19.184
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: 9, replica: 6
=====================================
Write number: 83
Temperature: 1.300000
Total energy: -572.051095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -572.051095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -572.051095 (E_RNA)
where:
Base-Base interactions energy: -297.663
where: short stacking energy: -164.311
Base-Backbone interact. energy: 1.867
local terms energy: -276.255278
where:
bonds (distance) C4'-P energy: -66.564
bonds (distance) P-C4' energy: -70.578
flat angles C4'-P-C4' energy: -72.168
flat angles P-C4'-P energy: -40.022
tors. eta vs tors. theta energy: -26.922
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: 10, replica: 8
=====================================
Write number: 83
Temperature: 1.350000
Total energy: -502.261540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.261540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.261540 (E_RNA)
where:
Base-Base interactions energy: -272.186
where: short stacking energy: -130.144
Base-Backbone interact. energy: -1.332
local terms energy: -228.743139
where:
bonds (distance) C4'-P energy: -53.788
bonds (distance) P-C4' energy: -74.231
flat angles C4'-P-C4' energy: -52.268
flat angles P-C4'-P energy: -46.618
tors. eta vs tors. theta energy: -1.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 84
Temperature: 0.900000
Total energy: -1384.101449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1384.101449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1384.101449 (E_RNA)
where:
Base-Base interactions energy: -955.645
where: short stacking energy: -419.334
Base-Backbone interact. energy: -1.910
local terms energy: -426.546195
where:
bonds (distance) C4'-P energy: -74.110
bonds (distance) P-C4' energy: -82.965
flat angles C4'-P-C4' energy: -87.249
flat angles P-C4'-P energy: -64.869
tors. eta vs tors. theta energy: -117.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 84
Temperature: 0.950000
Total energy: -1264.219593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1264.219593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1264.219593 (E_RNA)
where:
Base-Base interactions energy: -854.974
where: short stacking energy: -384.779
Base-Backbone interact. energy: 0.781
local terms energy: -410.387822
where:
bonds (distance) C4'-P energy: -81.534
bonds (distance) P-C4' energy: -74.081
flat angles C4'-P-C4' energy: -85.634
flat angles P-C4'-P energy: -57.868
tors. eta vs tors. theta energy: -111.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.362 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 84
Temperature: 1.000000
Total energy: -1153.522950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1153.522950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1153.522950 (E_RNA)
where:
Base-Base interactions energy: -767.016
where: short stacking energy: -351.775
Base-Backbone interact. energy: 0.453
local terms energy: -386.960051
where:
bonds (distance) C4'-P energy: -68.751
bonds (distance) P-C4' energy: -76.394
flat angles C4'-P-C4' energy: -90.266
flat angles P-C4'-P energy: -52.991
tors. eta vs tors. theta energy: -98.559
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: 3
=====================================
Write number: 84
Temperature: 1.050000
Total energy: -1221.625918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1221.625918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1221.625918 (E_RNA)
where:
Base-Base interactions energy: -823.533
where: short stacking energy: -374.601
Base-Backbone interact. energy: -0.966
local terms energy: -397.126618
where:
bonds (distance) C4'-P energy: -68.903
bonds (distance) P-C4' energy: -74.689
flat angles C4'-P-C4' energy: -85.337
flat angles P-C4'-P energy: -57.994
tors. eta vs tors. theta energy: -110.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 84
Temperature: 1.100000
Total energy: -1059.472989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1059.472989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1059.472989 (E_RNA)
where:
Base-Base interactions energy: -731.307
where: short stacking energy: -324.031
Base-Backbone interact. energy: -1.444
local terms energy: -326.721811
where:
bonds (distance) C4'-P energy: -65.791
bonds (distance) P-C4' energy: -63.183
flat angles C4'-P-C4' energy: -66.409
flat angles P-C4'-P energy: -41.232
tors. eta vs tors. theta energy: -90.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 84
Temperature: 1.150000
Total energy: -962.279559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -962.279559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -962.279559 (E_RNA)
where:
Base-Base interactions energy: -647.156
where: short stacking energy: -288.514
Base-Backbone interact. energy: -1.210
local terms energy: -313.913769
where:
bonds (distance) C4'-P energy: -63.695
bonds (distance) P-C4' energy: -65.046
flat angles C4'-P-C4' energy: -64.663
flat angles P-C4'-P energy: -48.542
tors. eta vs tors. theta energy: -71.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 84
Temperature: 1.200000
Total energy: -637.331664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -637.331664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -637.331664 (E_RNA)
where:
Base-Base interactions energy: -367.411
where: short stacking energy: -174.058
Base-Backbone interact. energy: -0.693
local terms energy: -269.227392
where:
bonds (distance) C4'-P energy: -69.064
bonds (distance) P-C4' energy: -77.780
flat angles C4'-P-C4' energy: -52.336
flat angles P-C4'-P energy: -49.751
tors. eta vs tors. theta energy: -20.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 84
Temperature: 1.250000
Total energy: -639.278355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -639.278355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -639.278355 (E_RNA)
where:
Base-Base interactions energy: -384.685
where: short stacking energy: -198.011
Base-Backbone interact. energy: 0.380
local terms energy: -254.972617
where:
bonds (distance) C4'-P energy: -67.428
bonds (distance) P-C4' energy: -66.785
flat angles C4'-P-C4' energy: -55.502
flat angles P-C4'-P energy: -36.423
tors. eta vs tors. theta energy: -28.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 84
Temperature: 1.300000
Total energy: -565.628675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -565.628675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -565.628675 (E_RNA)
where:
Base-Base interactions energy: -305.497
where: short stacking energy: -179.713
Base-Backbone interact. energy: 0.920
local terms energy: -261.051134
where:
bonds (distance) C4'-P energy: -67.714
bonds (distance) P-C4' energy: -72.644
flat angles C4'-P-C4' energy: -46.070
flat angles P-C4'-P energy: -40.674
tors. eta vs tors. theta energy: -33.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 84
Temperature: 1.350000
Total energy: -511.093937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.093937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.093937 (E_RNA)
where:
Base-Base interactions energy: -282.014
where: short stacking energy: -129.360
Base-Backbone interact. energy: -1.765
local terms energy: -227.315748
where:
bonds (distance) C4'-P energy: -59.634
bonds (distance) P-C4' energy: -78.951
flat angles C4'-P-C4' energy: -53.379
flat angles P-C4'-P energy: -27.161
tors. eta vs tors. theta energy: -8.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 85
Temperature: 0.900000
Total energy: -1399.912856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1399.912856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1399.912856 (E_RNA)
where:
Base-Base interactions energy: -973.778
where: short stacking energy: -422.554
Base-Backbone interact. energy: -0.767
local terms energy: -425.367173
where:
bonds (distance) C4'-P energy: -73.885
bonds (distance) P-C4' energy: -79.173
flat angles C4'-P-C4' energy: -92.632
flat angles P-C4'-P energy: -59.895
tors. eta vs tors. theta energy: -119.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 85
Temperature: 0.950000
Total energy: -1241.202249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1241.202249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1241.202249 (E_RNA)
where:
Base-Base interactions energy: -827.696
where: short stacking energy: -357.666
Base-Backbone interact. energy: -3.525
local terms energy: -409.980969
where:
bonds (distance) C4'-P energy: -75.119
bonds (distance) P-C4' energy: -80.379
flat angles C4'-P-C4' energy: -87.159
flat angles P-C4'-P energy: -60.657
tors. eta vs tors. theta energy: -106.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 85
Temperature: 1.000000
Total energy: -1184.100927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1184.100927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1184.100927 (E_RNA)
where:
Base-Base interactions energy: -796.221
where: short stacking energy: -348.398
Base-Backbone interact. energy: -2.384
local terms energy: -385.495586
where:
bonds (distance) C4'-P energy: -75.858
bonds (distance) P-C4' energy: -72.441
flat angles C4'-P-C4' energy: -84.081
flat angles P-C4'-P energy: -57.380
tors. eta vs tors. theta energy: -95.735
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: 4, replica: 3
=====================================
Write number: 85
Temperature: 1.050000
Total energy: -1259.673758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1259.673758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1259.673758 (E_RNA)
where:
Base-Base interactions energy: -839.867
where: short stacking energy: -388.583
Base-Backbone interact. energy: 0.155
local terms energy: -419.962078
where:
bonds (distance) C4'-P energy: -77.964
bonds (distance) P-C4' energy: -75.409
flat angles C4'-P-C4' energy: -86.184
flat angles P-C4'-P energy: -64.196
tors. eta vs tors. theta energy: -116.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 85
Temperature: 1.100000
Total energy: -1070.916881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1070.916881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1070.916881 (E_RNA)
where:
Base-Base interactions energy: -708.739
where: short stacking energy: -312.756
Base-Backbone interact. energy: -1.493
local terms energy: -360.684531
where:
bonds (distance) C4'-P energy: -79.751
bonds (distance) P-C4' energy: -63.845
flat angles C4'-P-C4' energy: -82.692
flat angles P-C4'-P energy: -56.758
tors. eta vs tors. theta energy: -77.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 85
Temperature: 1.150000
Total energy: -1006.738152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1006.738152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1006.738152 (E_RNA)
where:
Base-Base interactions energy: -693.846
where: short stacking energy: -301.505
Base-Backbone interact. energy: -0.197
local terms energy: -312.694953
where:
bonds (distance) C4'-P energy: -60.850
bonds (distance) P-C4' energy: -69.063
flat angles C4'-P-C4' energy: -70.643
flat angles P-C4'-P energy: -36.383
tors. eta vs tors. theta energy: -75.757
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: 2
=====================================
Write number: 85
Temperature: 1.200000
Total energy: -625.477678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -625.477678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -625.477678 (E_RNA)
where:
Base-Base interactions energy: -362.789
where: short stacking energy: -212.701
Base-Backbone interact. energy: 2.301
local terms energy: -264.990634
where:
bonds (distance) C4'-P energy: -64.702
bonds (distance) P-C4' energy: -64.364
flat angles C4'-P-C4' energy: -67.212
flat angles P-C4'-P energy: -46.105
tors. eta vs tors. theta energy: -22.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 85
Temperature: 1.250000
Total energy: -678.421369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -678.421369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -678.421369 (E_RNA)
where:
Base-Base interactions energy: -397.951
where: short stacking energy: -190.531
Base-Backbone interact. energy: -1.562
local terms energy: -278.908577
where:
bonds (distance) C4'-P energy: -68.793
bonds (distance) P-C4' energy: -75.031
flat angles C4'-P-C4' energy: -76.347
flat angles P-C4'-P energy: -32.452
tors. eta vs tors. theta energy: -26.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 85
Temperature: 1.300000
Total energy: -618.908161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -618.908161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -618.908161 (E_RNA)
where:
Base-Base interactions energy: -358.241
where: short stacking energy: -184.104
Base-Backbone interact. energy: -1.722
local terms energy: -258.945166
where:
bonds (distance) C4'-P energy: -64.200
bonds (distance) P-C4' energy: -63.585
flat angles C4'-P-C4' energy: -59.281
flat angles P-C4'-P energy: -41.405
tors. eta vs tors. theta energy: -30.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 85
Temperature: 1.350000
Total energy: -488.077340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.077340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.077340 (E_RNA)
where:
Base-Base interactions energy: -266.772
where: short stacking energy: -135.565
Base-Backbone interact. energy: 1.117
local terms energy: -222.421767
where:
bonds (distance) C4'-P energy: -45.604
bonds (distance) P-C4' energy: -70.445
flat angles C4'-P-C4' energy: -44.802
flat angles P-C4'-P energy: -50.697
tors. eta vs tors. theta energy: -10.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 86
Temperature: 0.900000
Total energy: -1381.829010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1381.829010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1381.829010 (E_RNA)
where:
Base-Base interactions energy: -963.529
where: short stacking energy: -424.290
Base-Backbone interact. energy: -2.767
local terms energy: -415.542747
where:
bonds (distance) C4'-P energy: -70.827
bonds (distance) P-C4' energy: -71.256
flat angles C4'-P-C4' energy: -95.033
flat angles P-C4'-P energy: -58.903
tors. eta vs tors. theta energy: -119.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.010 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 86
Temperature: 0.950000
Total energy: -1234.051986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1234.051986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1234.051986 (E_RNA)
where:
Base-Base interactions energy: -838.526
where: short stacking energy: -371.831
Base-Backbone interact. energy: -1.096
local terms energy: -394.429780
where:
bonds (distance) C4'-P energy: -83.534
bonds (distance) P-C4' energy: -68.519
flat angles C4'-P-C4' energy: -83.847
flat angles P-C4'-P energy: -55.244
tors. eta vs tors. theta energy: -103.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 86
Temperature: 1.000000
Total energy: -1205.225902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1205.225902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1205.225902 (E_RNA)
where:
Base-Base interactions energy: -817.882
where: short stacking energy: -355.102
Base-Backbone interact. energy: -3.393
local terms energy: -383.951505
where:
bonds (distance) C4'-P energy: -74.679
bonds (distance) P-C4' energy: -79.972
flat angles C4'-P-C4' energy: -77.575
flat angles P-C4'-P energy: -49.579
tors. eta vs tors. theta energy: -102.148
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: 86
Temperature: 1.050000
Total energy: -1213.038193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1213.038193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1213.038193 (E_RNA)
where:
Base-Base interactions energy: -835.668
where: short stacking energy: -358.575
Base-Backbone interact. energy: -0.077
local terms energy: -378.081130
where:
bonds (distance) C4'-P energy: -64.370
bonds (distance) P-C4' energy: -65.257
flat angles C4'-P-C4' energy: -89.048
flat angles P-C4'-P energy: -52.531
tors. eta vs tors. theta energy: -106.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.787 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 86
Temperature: 1.100000
Total energy: -1033.382702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1033.382702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1033.382702 (E_RNA)
where:
Base-Base interactions energy: -694.655
where: short stacking energy: -295.902
Base-Backbone interact. energy: -1.924
local terms energy: -336.803409
where:
bonds (distance) C4'-P energy: -66.461
bonds (distance) P-C4' energy: -72.080
flat angles C4'-P-C4' energy: -76.431
flat angles P-C4'-P energy: -44.613
tors. eta vs tors. theta energy: -77.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 86
Temperature: 1.150000
Total energy: -1020.620384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1020.620384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1020.620384 (E_RNA)
where:
Base-Base interactions energy: -668.644
where: short stacking energy: -293.598
Base-Backbone interact. energy: 2.356
local terms energy: -354.333296
where:
bonds (distance) C4'-P energy: -77.487
bonds (distance) P-C4' energy: -84.099
flat angles C4'-P-C4' energy: -71.806
flat angles P-C4'-P energy: -46.245
tors. eta vs tors. theta energy: -74.697
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: 2
=====================================
Write number: 86
Temperature: 1.200000
Total energy: -609.380219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -609.380219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -609.380219 (E_RNA)
where:
Base-Base interactions energy: -325.785
where: short stacking energy: -170.795
Base-Backbone interact. energy: -2.091
local terms energy: -281.504108
where:
bonds (distance) C4'-P energy: -68.813
bonds (distance) P-C4' energy: -78.885
flat angles C4'-P-C4' energy: -62.274
flat angles P-C4'-P energy: -42.920
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: 8, replica: 5
=====================================
Write number: 86
Temperature: 1.250000
Total energy: -625.400849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -625.400849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -625.400849 (E_RNA)
where:
Base-Base interactions energy: -364.464
where: short stacking energy: -183.271
Base-Backbone interact. energy: 0.052
local terms energy: -260.988209
where:
bonds (distance) C4'-P energy: -62.621
bonds (distance) P-C4' energy: -59.948
flat angles C4'-P-C4' energy: -73.475
flat angles P-C4'-P energy: -36.465
tors. eta vs tors. theta energy: -28.480
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: 6
=====================================
Write number: 86
Temperature: 1.300000
Total energy: -588.833438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -588.833438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -588.833438 (E_RNA)
where:
Base-Base interactions energy: -348.953
where: short stacking energy: -153.918
Base-Backbone interact. energy: -2.626
local terms energy: -237.254251
where:
bonds (distance) C4'-P energy: -62.603
bonds (distance) P-C4' energy: -57.209
flat angles C4'-P-C4' energy: -59.322
flat angles P-C4'-P energy: -41.236
tors. eta vs tors. theta energy: -16.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 86
Temperature: 1.350000
Total energy: -482.735540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.735540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.735540 (E_RNA)
where:
Base-Base interactions energy: -272.477
where: short stacking energy: -158.681
Base-Backbone interact. energy: 2.349
local terms energy: -212.607606
where:
bonds (distance) C4'-P energy: -47.343
bonds (distance) P-C4' energy: -61.723
flat angles C4'-P-C4' energy: -61.737
flat angles P-C4'-P energy: -34.669
tors. eta vs tors. theta energy: -7.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 87
Temperature: 0.900000
Total energy: -1356.449747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1356.449747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1356.449747 (E_RNA)
where:
Base-Base interactions energy: -942.212
where: short stacking energy: -411.088
Base-Backbone interact. energy: -1.224
local terms energy: -413.013291
where:
bonds (distance) C4'-P energy: -73.006
bonds (distance) P-C4' energy: -76.398
flat angles C4'-P-C4' energy: -87.690
flat angles P-C4'-P energy: -60.405
tors. eta vs tors. theta energy: -115.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 87
Temperature: 0.950000
Total energy: -1246.022200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1246.022200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1246.022200 (E_RNA)
where:
Base-Base interactions energy: -854.808
where: short stacking energy: -378.691
Base-Backbone interact. energy: -1.532
local terms energy: -389.682265
where:
bonds (distance) C4'-P energy: -79.281
bonds (distance) P-C4' energy: -74.115
flat angles C4'-P-C4' energy: -82.375
flat angles P-C4'-P energy: -48.441
tors. eta vs tors. theta energy: -105.470
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: 1
=====================================
Write number: 87
Temperature: 1.000000
Total energy: -1164.092883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1164.092883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1164.092883 (E_RNA)
where:
Base-Base interactions energy: -770.325
where: short stacking energy: -352.548
Base-Backbone interact. energy: 0.923
local terms energy: -394.690375
where:
bonds (distance) C4'-P energy: -80.807
bonds (distance) P-C4' energy: -79.673
flat angles C4'-P-C4' energy: -80.593
flat angles P-C4'-P energy: -57.362
tors. eta vs tors. theta energy: -96.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 87
Temperature: 1.050000
Total energy: -1238.646137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1238.646137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1238.646137 (E_RNA)
where:
Base-Base interactions energy: -840.370
where: short stacking energy: -380.733
Base-Backbone interact. energy: 0.591
local terms energy: -398.867618
where:
bonds (distance) C4'-P energy: -74.174
bonds (distance) P-C4' energy: -75.458
flat angles C4'-P-C4' energy: -91.596
flat angles P-C4'-P energy: -42.610
tors. eta vs tors. theta energy: -115.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 87
Temperature: 1.100000
Total energy: -1047.716043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1047.716043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1047.716043 (E_RNA)
where:
Base-Base interactions energy: -717.616
where: short stacking energy: -306.103
Base-Backbone interact. energy: 0.032
local terms energy: -330.132276
where:
bonds (distance) C4'-P energy: -45.820
bonds (distance) P-C4' energy: -78.542
flat angles C4'-P-C4' energy: -70.549
flat angles P-C4'-P energy: -58.299
tors. eta vs tors. theta energy: -76.923
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: 6, replica: 4
=====================================
Write number: 87
Temperature: 1.150000
Total energy: -992.105611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -992.105611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -992.105611 (E_RNA)
where:
Base-Base interactions energy: -661.077
where: short stacking energy: -267.139
Base-Backbone interact. energy: -1.614
local terms energy: -329.413852
where:
bonds (distance) C4'-P energy: -67.940
bonds (distance) P-C4' energy: -73.362
flat angles C4'-P-C4' energy: -74.669
flat angles P-C4'-P energy: -58.339
tors. eta vs tors. theta energy: -55.104
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: 2
=====================================
Write number: 87
Temperature: 1.200000
Total energy: -639.281595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -639.281595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -639.281595 (E_RNA)
where:
Base-Base interactions energy: -387.654
where: short stacking energy: -192.603
Base-Backbone interact. energy: -1.352
local terms energy: -250.274838
where:
bonds (distance) C4'-P energy: -54.132
bonds (distance) P-C4' energy: -67.699
flat angles C4'-P-C4' energy: -60.021
flat angles P-C4'-P energy: -39.095
tors. eta vs tors. theta energy: -29.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 87
Temperature: 1.250000
Total energy: -650.869570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -650.869570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -650.869570 (E_RNA)
where:
Base-Base interactions energy: -383.355
where: short stacking energy: -199.459
Base-Backbone interact. energy: 0.733
local terms energy: -268.247392
where:
bonds (distance) C4'-P energy: -52.974
bonds (distance) P-C4' energy: -71.577
flat angles C4'-P-C4' energy: -72.694
flat angles P-C4'-P energy: -43.721
tors. eta vs tors. theta energy: -27.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 87
Temperature: 1.300000
Total energy: -580.367385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -580.367385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -580.367385 (E_RNA)
where:
Base-Base interactions energy: -326.341
where: short stacking energy: -180.456
Base-Backbone interact. energy: 2.461
local terms energy: -256.488053
where:
bonds (distance) C4'-P energy: -49.568
bonds (distance) P-C4' energy: -69.790
flat angles C4'-P-C4' energy: -69.396
flat angles P-C4'-P energy: -41.070
tors. eta vs tors. theta energy: -26.664
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: 10, replica: 8
=====================================
Write number: 87
Temperature: 1.350000
Total energy: -489.703444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.703444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.703444 (E_RNA)
where:
Base-Base interactions energy: -263.012
where: short stacking energy: -138.804
Base-Backbone interact. energy: -1.902
local terms energy: -224.789903
where:
bonds (distance) C4'-P energy: -51.344
bonds (distance) P-C4' energy: -64.985
flat angles C4'-P-C4' energy: -63.520
flat angles P-C4'-P energy: -32.839
tors. eta vs tors. theta energy: -12.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 88
Temperature: 0.900000
Total energy: -1395.186887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1395.186887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1395.186887 (E_RNA)
where:
Base-Base interactions energy: -949.255
where: short stacking energy: -414.007
Base-Backbone interact. energy: -2.724
local terms energy: -443.208418
where:
bonds (distance) C4'-P energy: -82.375
bonds (distance) P-C4' energy: -82.803
flat angles C4'-P-C4' energy: -92.547
flat angles P-C4'-P energy: -65.218
tors. eta vs tors. theta energy: -120.266
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: 9
=====================================
Write number: 88
Temperature: 0.950000
Total energy: -1252.300336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1252.300336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1252.300336 (E_RNA)
where:
Base-Base interactions energy: -846.087
where: short stacking energy: -373.268
Base-Backbone interact. energy: -1.411
local terms energy: -404.801924
where:
bonds (distance) C4'-P energy: -77.706
bonds (distance) P-C4' energy: -85.605
flat angles C4'-P-C4' energy: -84.055
flat angles P-C4'-P energy: -48.085
tors. eta vs tors. theta energy: -109.351
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: 88
Temperature: 1.000000
Total energy: -1244.857062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1244.857062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1244.857062 (E_RNA)
where:
Base-Base interactions energy: -843.303
where: short stacking energy: -370.084
Base-Backbone interact. energy: -1.161
local terms energy: -400.392864
where:
bonds (distance) C4'-P energy: -74.828
bonds (distance) P-C4' energy: -72.130
flat angles C4'-P-C4' energy: -87.172
flat angles P-C4'-P energy: -57.565
tors. eta vs tors. theta energy: -108.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 88
Temperature: 1.050000
Total energy: -1123.109520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1123.109520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1123.109520 (E_RNA)
where:
Base-Base interactions energy: -758.503
where: short stacking energy: -333.211
Base-Backbone interact. energy: -2.022
local terms energy: -362.583783
where:
bonds (distance) C4'-P energy: -73.951
bonds (distance) P-C4' energy: -66.565
flat angles C4'-P-C4' energy: -77.338
flat angles P-C4'-P energy: -56.859
tors. eta vs tors. theta energy: -87.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 88
Temperature: 1.100000
Total energy: -1030.504170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1030.504170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1030.504170 (E_RNA)
where:
Base-Base interactions energy: -692.822
where: short stacking energy: -320.487
Base-Backbone interact. energy: -1.304
local terms energy: -336.378769
where:
bonds (distance) C4'-P energy: -54.651
bonds (distance) P-C4' energy: -76.450
flat angles C4'-P-C4' energy: -83.878
flat angles P-C4'-P energy: -39.866
tors. eta vs tors. theta energy: -81.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 88
Temperature: 1.150000
Total energy: -949.570947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -949.570947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -949.570947 (E_RNA)
where:
Base-Base interactions energy: -641.622
where: short stacking energy: -278.295
Base-Backbone interact. energy: -0.904
local terms energy: -307.044361
where:
bonds (distance) C4'-P energy: -54.415
bonds (distance) P-C4' energy: -64.461
flat angles C4'-P-C4' energy: -57.110
flat angles P-C4'-P energy: -50.099
tors. eta vs tors. theta energy: -80.959
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: 7, replica: 2
=====================================
Write number: 88
Temperature: 1.200000
Total energy: -688.128937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -688.128937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -688.128937 (E_RNA)
where:
Base-Base interactions energy: -420.399
where: short stacking energy: -215.394
Base-Backbone interact. energy: -0.260
local terms energy: -267.470378
where:
bonds (distance) C4'-P energy: -63.858
bonds (distance) P-C4' energy: -72.201
flat angles C4'-P-C4' energy: -68.736
flat angles P-C4'-P energy: -27.612
tors. eta vs tors. theta energy: -35.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 88
Temperature: 1.250000
Total energy: -602.627827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -602.627827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -602.627827 (E_RNA)
where:
Base-Base interactions energy: -326.842
where: short stacking energy: -191.747
Base-Backbone interact. energy: -0.361
local terms energy: -275.425590
where:
bonds (distance) C4'-P energy: -60.791
bonds (distance) P-C4' energy: -73.759
flat angles C4'-P-C4' energy: -57.598
flat angles P-C4'-P energy: -46.987
tors. eta vs tors. theta energy: -36.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 88
Temperature: 1.300000
Total energy: -530.053414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.053414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.053414 (E_RNA)
where:
Base-Base interactions energy: -315.942
where: short stacking energy: -153.454
Base-Backbone interact. energy: -0.864
local terms energy: -213.247718
where:
bonds (distance) C4'-P energy: -65.317
bonds (distance) P-C4' energy: -72.767
flat angles C4'-P-C4' energy: -39.784
flat angles P-C4'-P energy: -22.531
tors. eta vs tors. theta energy: -12.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 88
Temperature: 1.350000
Total energy: -523.303707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.303707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.303707 (E_RNA)
where:
Base-Base interactions energy: -261.262
where: short stacking energy: -155.139
Base-Backbone interact. energy: -1.524
local terms energy: -260.517138
where:
bonds (distance) C4'-P energy: -74.776
bonds (distance) P-C4' energy: -79.168
flat angles C4'-P-C4' energy: -64.493
flat angles P-C4'-P energy: -27.242
tors. eta vs tors. theta energy: -14.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 89
Temperature: 0.900000
Total energy: -1375.143468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1375.143468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1375.143468 (E_RNA)
where:
Base-Base interactions energy: -951.993
where: short stacking energy: -414.933
Base-Backbone interact. energy: -2.330
local terms energy: -420.820024
where:
bonds (distance) C4'-P energy: -70.875
bonds (distance) P-C4' energy: -84.204
flat angles C4'-P-C4' energy: -90.055
flat angles P-C4'-P energy: -61.793
tors. eta vs tors. theta energy: -113.893
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: 3
=====================================
Write number: 89
Temperature: 0.950000
Total energy: -1263.119462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1263.119462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1263.119462 (E_RNA)
where:
Base-Base interactions energy: -856.782
where: short stacking energy: -390.273
Base-Backbone interact. energy: -0.975
local terms energy: -405.362246
where:
bonds (distance) C4'-P energy: -70.389
bonds (distance) P-C4' energy: -77.418
flat angles C4'-P-C4' energy: -79.562
flat angles P-C4'-P energy: -58.242
tors. eta vs tors. theta energy: -119.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 89
Temperature: 1.000000
Total energy: -1212.967127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1212.967127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1212.967127 (E_RNA)
where:
Base-Base interactions energy: -825.302
where: short stacking energy: -355.051
Base-Backbone interact. energy: -2.417
local terms energy: -385.247620
where:
bonds (distance) C4'-P energy: -66.679
bonds (distance) P-C4' energy: -68.611
flat angles C4'-P-C4' energy: -90.298
flat angles P-C4'-P energy: -56.419
tors. eta vs tors. theta energy: -103.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 89
Temperature: 1.050000
Total energy: -1137.846552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1137.846552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1137.846552 (E_RNA)
where:
Base-Base interactions energy: -795.619
where: short stacking energy: -332.178
Base-Backbone interact. energy: 1.227
local terms energy: -343.455062
where:
bonds (distance) C4'-P energy: -71.854
bonds (distance) P-C4' energy: -63.131
flat angles C4'-P-C4' energy: -76.070
flat angles P-C4'-P energy: -49.044
tors. eta vs tors. theta energy: -83.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 89
Temperature: 1.100000
Total energy: -1084.895767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1084.895767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1084.895767 (E_RNA)
where:
Base-Base interactions energy: -740.398
where: short stacking energy: -318.249
Base-Backbone interact. energy: -1.095
local terms energy: -343.403165
where:
bonds (distance) C4'-P energy: -63.422
bonds (distance) P-C4' energy: -68.436
flat angles C4'-P-C4' energy: -79.981
flat angles P-C4'-P energy: -47.363
tors. eta vs tors. theta energy: -84.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 89
Temperature: 1.150000
Total energy: -991.193477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -991.193477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -991.193477 (E_RNA)
where:
Base-Base interactions energy: -698.367
where: short stacking energy: -264.322
Base-Backbone interact. energy: -0.687
local terms energy: -292.140139
where:
bonds (distance) C4'-P energy: -66.733
bonds (distance) P-C4' energy: -50.632
flat angles C4'-P-C4' energy: -69.842
flat angles P-C4'-P energy: -38.584
tors. eta vs tors. theta energy: -66.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 89
Temperature: 1.200000
Total energy: -651.971859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -651.971859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -651.971859 (E_RNA)
where:
Base-Base interactions energy: -389.740
where: short stacking energy: -204.789
Base-Backbone interact. energy: 0.790
local terms energy: -263.022668
where:
bonds (distance) C4'-P energy: -57.952
bonds (distance) P-C4' energy: -71.197
flat angles C4'-P-C4' energy: -67.696
flat angles P-C4'-P energy: -30.192
tors. eta vs tors. theta energy: -35.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 89
Temperature: 1.250000
Total energy: -588.012000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -588.012000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -588.012000 (E_RNA)
where:
Base-Base interactions energy: -338.217
where: short stacking energy: -161.701
Base-Backbone interact. energy: -0.876
local terms energy: -248.918761
where:
bonds (distance) C4'-P energy: -61.854
bonds (distance) P-C4' energy: -61.347
flat angles C4'-P-C4' energy: -58.727
flat angles P-C4'-P energy: -37.356
tors. eta vs tors. theta energy: -29.635
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: 5
=====================================
Write number: 89
Temperature: 1.300000
Total energy: -590.082210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -590.082210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -590.082210 (E_RNA)
where:
Base-Base interactions energy: -351.637
where: short stacking energy: -170.861
Base-Backbone interact. energy: -0.702
local terms energy: -237.743223
where:
bonds (distance) C4'-P energy: -68.719
bonds (distance) P-C4' energy: -51.571
flat angles C4'-P-C4' energy: -61.133
flat angles P-C4'-P energy: -34.272
tors. eta vs tors. theta energy: -22.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 89
Temperature: 1.350000
Total energy: -518.763104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.763104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.763104 (E_RNA)
where:
Base-Base interactions energy: -273.766
where: short stacking energy: -141.670
Base-Backbone interact. energy: 1.245
local terms energy: -246.241859
where:
bonds (distance) C4'-P energy: -55.771
bonds (distance) P-C4' energy: -77.229
flat angles C4'-P-C4' energy: -60.044
flat angles P-C4'-P energy: -47.432
tors. eta vs tors. theta energy: -5.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 90
Temperature: 0.900000
Total energy: -1363.147498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1363.147498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1363.147498 (E_RNA)
where:
Base-Base interactions energy: -942.314
where: short stacking energy: -403.173
Base-Backbone interact. energy: -2.398
local terms energy: -418.457325
where:
bonds (distance) C4'-P energy: -77.941
bonds (distance) P-C4' energy: -78.920
flat angles C4'-P-C4' energy: -83.855
flat angles P-C4'-P energy: -59.861
tors. eta vs tors. theta energy: -117.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.021 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 90
Temperature: 0.950000
Total energy: -1303.996387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1303.996387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1303.996387 (E_RNA)
where:
Base-Base interactions energy: -891.652
where: short stacking energy: -392.905
Base-Backbone interact. energy: -2.099
local terms energy: -410.244577
where:
bonds (distance) C4'-P energy: -81.599
bonds (distance) P-C4' energy: -75.018
flat angles C4'-P-C4' energy: -82.180
flat angles P-C4'-P energy: -59.857
tors. eta vs tors. theta energy: -111.590
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: 9
=====================================
Write number: 90
Temperature: 1.000000
Total energy: -1204.498814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1204.498814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1204.498814 (E_RNA)
where:
Base-Base interactions energy: -810.263
where: short stacking energy: -348.282
Base-Backbone interact. energy: -0.448
local terms energy: -393.788301
where:
bonds (distance) C4'-P energy: -76.861
bonds (distance) P-C4' energy: -77.711
flat angles C4'-P-C4' energy: -83.613
flat angles P-C4'-P energy: -62.657
tors. eta vs tors. theta energy: -92.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 90
Temperature: 1.050000
Total energy: -1116.443114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1116.443114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1116.443114 (E_RNA)
where:
Base-Base interactions energy: -746.805
where: short stacking energy: -319.183
Base-Backbone interact. energy: -0.806
local terms energy: -368.832211
where:
bonds (distance) C4'-P energy: -64.261
bonds (distance) P-C4' energy: -90.069
flat angles C4'-P-C4' energy: -80.135
flat angles P-C4'-P energy: -42.703
tors. eta vs tors. theta energy: -91.665
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: 10
=====================================
Write number: 90
Temperature: 1.100000
Total energy: -1044.798944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1044.798944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1044.798944 (E_RNA)
where:
Base-Base interactions energy: -711.405
where: short stacking energy: -299.842
Base-Backbone interact. energy: 2.264
local terms energy: -335.657471
where:
bonds (distance) C4'-P energy: -72.004
bonds (distance) P-C4' energy: -73.570
flat angles C4'-P-C4' energy: -71.493
flat angles P-C4'-P energy: -46.267
tors. eta vs tors. theta energy: -72.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 90
Temperature: 1.150000
Total energy: -1034.632770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1034.632770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1034.632770 (E_RNA)
where:
Base-Base interactions energy: -697.084
where: short stacking energy: -288.311
Base-Backbone interact. energy: -3.189
local terms energy: -334.360004
where:
bonds (distance) C4'-P energy: -61.961
bonds (distance) P-C4' energy: -65.491
flat angles C4'-P-C4' energy: -79.478
flat angles P-C4'-P energy: -52.669
tors. eta vs tors. theta energy: -74.761
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: 2
=====================================
Write number: 90
Temperature: 1.200000
Total energy: -654.859301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -654.859301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -654.859301 (E_RNA)
where:
Base-Base interactions energy: -402.186
where: short stacking energy: -197.887
Base-Backbone interact. energy: -1.533
local terms energy: -251.140148
where:
bonds (distance) C4'-P energy: -51.848
bonds (distance) P-C4' energy: -58.850
flat angles C4'-P-C4' energy: -77.120
flat angles P-C4'-P energy: -32.116
tors. eta vs tors. theta energy: -31.205
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: 8
=====================================
Write number: 90
Temperature: 1.250000
Total energy: -587.232502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -587.232502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -587.232502 (E_RNA)
where:
Base-Base interactions energy: -324.799
where: short stacking energy: -169.167
Base-Backbone interact. energy: 2.820
local terms energy: -265.253098
where:
bonds (distance) C4'-P energy: -73.338
bonds (distance) P-C4' energy: -80.030
flat angles C4'-P-C4' energy: -53.955
flat angles P-C4'-P energy: -35.281
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: 9, replica: 5
=====================================
Write number: 90
Temperature: 1.300000
Total energy: -580.250832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -580.250832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -580.250832 (E_RNA)
where:
Base-Base interactions energy: -344.001
where: short stacking energy: -157.045
Base-Backbone interact. energy: -0.615
local terms energy: -235.634623
where:
bonds (distance) C4'-P energy: -57.482
bonds (distance) P-C4' energy: -66.396
flat angles C4'-P-C4' energy: -57.620
flat angles P-C4'-P energy: -40.629
tors. eta vs tors. theta energy: -13.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 90
Temperature: 1.350000
Total energy: -521.903888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.903888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.903888 (E_RNA)
where:
Base-Base interactions energy: -300.700
where: short stacking energy: -144.934
Base-Backbone interact. energy: -2.320
local terms energy: -218.883760
where:
bonds (distance) C4'-P energy: -53.398
bonds (distance) P-C4' energy: -62.393
flat angles C4'-P-C4' energy: -56.232
flat angles P-C4'-P energy: -36.907
tors. eta vs tors. theta energy: -9.955
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: 91
Temperature: 0.900000
Total energy: -1376.118017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1376.118017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1376.118017 (E_RNA)
where:
Base-Base interactions energy: -946.053
where: short stacking energy: -407.981
Base-Backbone interact. energy: -0.129
local terms energy: -429.936116
where:
bonds (distance) C4'-P energy: -72.534
bonds (distance) P-C4' energy: -86.648
flat angles C4'-P-C4' energy: -90.872
flat angles P-C4'-P energy: -56.704
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: 2, replica: 3
=====================================
Write number: 91
Temperature: 0.950000
Total energy: -1297.309789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1297.309789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1297.309789 (E_RNA)
where:
Base-Base interactions energy: -895.564
where: short stacking energy: -394.698
Base-Backbone interact. energy: 1.021
local terms energy: -402.766419
where:
bonds (distance) C4'-P energy: -69.905
bonds (distance) P-C4' energy: -78.314
flat angles C4'-P-C4' energy: -84.310
flat angles P-C4'-P energy: -57.735
tors. eta vs tors. theta energy: -112.503
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: 9
=====================================
Write number: 91
Temperature: 1.000000
Total energy: -1208.334822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1208.334822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1208.334822 (E_RNA)
where:
Base-Base interactions energy: -809.392
where: short stacking energy: -368.307
Base-Backbone interact. energy: -0.349
local terms energy: -398.594356
where:
bonds (distance) C4'-P energy: -76.062
bonds (distance) P-C4' energy: -72.557
flat angles C4'-P-C4' energy: -87.277
flat angles P-C4'-P energy: -58.665
tors. eta vs tors. theta energy: -104.033
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: 1
=====================================
Write number: 91
Temperature: 1.050000
Total energy: -1107.480982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1107.480982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1107.480982 (E_RNA)
where:
Base-Base interactions energy: -758.530
where: short stacking energy: -328.595
Base-Backbone interact. energy: -1.488
local terms energy: -347.463482
where:
bonds (distance) C4'-P energy: -69.682
bonds (distance) P-C4' energy: -68.115
flat angles C4'-P-C4' energy: -80.377
flat angles P-C4'-P energy: -48.283
tors. eta vs tors. theta energy: -81.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 91
Temperature: 1.100000
Total energy: -1052.807542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1052.807542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1052.807542 (E_RNA)
where:
Base-Base interactions energy: -708.547
where: short stacking energy: -303.939
Base-Backbone interact. energy: 1.671
local terms energy: -345.931707
where:
bonds (distance) C4'-P energy: -71.803
bonds (distance) P-C4' energy: -78.458
flat angles C4'-P-C4' energy: -66.356
flat angles P-C4'-P energy: -46.510
tors. eta vs tors. theta energy: -82.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 91
Temperature: 1.150000
Total energy: -1032.179008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1032.179008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1032.179008 (E_RNA)
where:
Base-Base interactions energy: -699.836
where: short stacking energy: -296.759
Base-Backbone interact. energy: -1.361
local terms energy: -330.981903
where:
bonds (distance) C4'-P energy: -65.567
bonds (distance) P-C4' energy: -74.237
flat angles C4'-P-C4' energy: -71.485
flat angles P-C4'-P energy: -43.141
tors. eta vs tors. theta energy: -76.552
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: 2
=====================================
Write number: 91
Temperature: 1.200000
Total energy: -663.478208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -663.478208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -663.478208 (E_RNA)
where:
Base-Base interactions energy: -384.303
where: short stacking energy: -189.571
Base-Backbone interact. energy: 7.785
local terms energy: -286.960014
where:
bonds (distance) C4'-P energy: -74.391
bonds (distance) P-C4' energy: -71.220
flat angles C4'-P-C4' energy: -63.604
flat angles P-C4'-P energy: -49.816
tors. eta vs tors. theta energy: -27.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 91
Temperature: 1.250000
Total energy: -579.441325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -579.441325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -579.441325 (E_RNA)
where:
Base-Base interactions energy: -310.267
where: short stacking energy: -169.718
Base-Backbone interact. energy: -0.056
local terms energy: -269.118342
where:
bonds (distance) C4'-P energy: -56.727
bonds (distance) P-C4' energy: -73.448
flat angles C4'-P-C4' energy: -63.450
flat angles P-C4'-P energy: -42.706
tors. eta vs tors. theta energy: -32.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 91
Temperature: 1.300000
Total energy: -569.193471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -569.193471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -569.193471 (E_RNA)
where:
Base-Base interactions energy: -331.860
where: short stacking energy: -153.563
Base-Backbone interact. energy: 2.681
local terms energy: -240.014798
where:
bonds (distance) C4'-P energy: -63.130
bonds (distance) P-C4' energy: -55.878
flat angles C4'-P-C4' energy: -67.883
flat angles P-C4'-P energy: -34.122
tors. eta vs tors. theta energy: -19.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 91
Temperature: 1.350000
Total energy: -549.684745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.684745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.684745 (E_RNA)
where:
Base-Base interactions energy: -330.359
where: short stacking energy: -157.972
Base-Backbone interact. energy: 0.661
local terms energy: -219.986220
where:
bonds (distance) C4'-P energy: -62.981
bonds (distance) P-C4' energy: -62.929
flat angles C4'-P-C4' energy: -54.497
flat angles P-C4'-P energy: -29.835
tors. eta vs tors. theta energy: -9.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 92
Temperature: 0.900000
Total energy: -1384.655693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1384.655693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1384.655693 (E_RNA)
where:
Base-Base interactions energy: -970.944
where: short stacking energy: -424.259
Base-Backbone interact. energy: -0.889
local terms energy: -412.822746
where:
bonds (distance) C4'-P energy: -66.375
bonds (distance) P-C4' energy: -80.644
flat angles C4'-P-C4' energy: -91.311
flat angles P-C4'-P energy: -57.421
tors. eta vs tors. theta energy: -117.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 92
Temperature: 0.950000
Total energy: -1295.538573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1295.538573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1295.538573 (E_RNA)
where:
Base-Base interactions energy: -886.744
where: short stacking energy: -376.737
Base-Backbone interact. energy: -2.635
local terms energy: -406.159372
where:
bonds (distance) C4'-P energy: -80.097
bonds (distance) P-C4' energy: -73.974
flat angles C4'-P-C4' energy: -92.439
flat angles P-C4'-P energy: -50.357
tors. eta vs tors. theta energy: -109.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 92
Temperature: 1.000000
Total energy: -1183.943559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1183.943559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1183.943559 (E_RNA)
where:
Base-Base interactions energy: -813.892
where: short stacking energy: -352.082
Base-Backbone interact. energy: 1.403
local terms energy: -371.454215
where:
bonds (distance) C4'-P energy: -69.448
bonds (distance) P-C4' energy: -65.377
flat angles C4'-P-C4' energy: -85.860
flat angles P-C4'-P energy: -49.228
tors. eta vs tors. theta energy: -101.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 92
Temperature: 1.050000
Total energy: -1108.779594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1108.779594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1108.779594 (E_RNA)
where:
Base-Base interactions energy: -753.114
where: short stacking energy: -338.180
Base-Backbone interact. energy: -0.070
local terms energy: -355.595912
where:
bonds (distance) C4'-P energy: -76.625
bonds (distance) P-C4' energy: -71.823
flat angles C4'-P-C4' energy: -80.832
flat angles P-C4'-P energy: -41.261
tors. eta vs tors. theta energy: -85.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 92
Temperature: 1.100000
Total energy: -1024.305688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1024.305688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1024.305688 (E_RNA)
where:
Base-Base interactions energy: -672.721
where: short stacking energy: -293.148
Base-Backbone interact. energy: -0.195
local terms energy: -351.389451
where:
bonds (distance) C4'-P energy: -75.055
bonds (distance) P-C4' energy: -69.151
flat angles C4'-P-C4' energy: -74.008
flat angles P-C4'-P energy: -53.250
tors. eta vs tors. theta energy: -79.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 92
Temperature: 1.150000
Total energy: -1029.414335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1029.414335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1029.414335 (E_RNA)
where:
Base-Base interactions energy: -702.122
where: short stacking energy: -318.013
Base-Backbone interact. energy: 3.041
local terms energy: -330.333162
where:
bonds (distance) C4'-P energy: -63.490
bonds (distance) P-C4' energy: -63.338
flat angles C4'-P-C4' energy: -67.349
flat angles P-C4'-P energy: -49.679
tors. eta vs tors. theta energy: -86.478
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: 2
=====================================
Write number: 92
Temperature: 1.200000
Total energy: -665.988035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -665.988035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -665.988035 (E_RNA)
where:
Base-Base interactions energy: -417.609
where: short stacking energy: -202.077
Base-Backbone interact. energy: -4.889
local terms energy: -243.489867
where:
bonds (distance) C4'-P energy: -64.803
bonds (distance) P-C4' energy: -61.908
flat angles C4'-P-C4' energy: -52.398
flat angles P-C4'-P energy: -33.005
tors. eta vs tors. theta energy: -31.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 92
Temperature: 1.250000
Total energy: -664.884659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -664.884659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -664.884659 (E_RNA)
where:
Base-Base interactions energy: -402.451
where: short stacking energy: -189.803
Base-Backbone interact. energy: 0.282
local terms energy: -262.716054
where:
bonds (distance) C4'-P energy: -68.814
bonds (distance) P-C4' energy: -74.639
flat angles C4'-P-C4' energy: -67.241
flat angles P-C4'-P energy: -25.741
tors. eta vs tors. theta energy: -26.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 92
Temperature: 1.300000
Total energy: -563.190325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -563.190325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -563.190325 (E_RNA)
where:
Base-Base interactions energy: -306.439
where: short stacking energy: -175.648
Base-Backbone interact. energy: 0.493
local terms energy: -257.243829
where:
bonds (distance) C4'-P energy: -48.831
bonds (distance) P-C4' energy: -70.320
flat angles C4'-P-C4' energy: -73.535
flat angles P-C4'-P energy: -46.418
tors. eta vs tors. theta energy: -18.141
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: 6
=====================================
Write number: 92
Temperature: 1.350000
Total energy: -592.715531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -592.715531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -592.715531 (E_RNA)
where:
Base-Base interactions energy: -347.925
where: short stacking energy: -167.385
Base-Backbone interact. energy: 1.045
local terms energy: -245.836145
where:
bonds (distance) C4'-P energy: -61.781
bonds (distance) P-C4' energy: -80.511
flat angles C4'-P-C4' energy: -46.623
flat angles P-C4'-P energy: -33.856
tors. eta vs tors. theta energy: -23.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 93
Temperature: 0.900000
Total energy: -1379.723210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1379.723210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1379.723210 (E_RNA)
where:
Base-Base interactions energy: -963.583
where: short stacking energy: -417.242
Base-Backbone interact. energy: -2.486
local terms energy: -413.655045
where:
bonds (distance) C4'-P energy: -77.479
bonds (distance) P-C4' energy: -71.003
flat angles C4'-P-C4' energy: -84.456
flat angles P-C4'-P energy: -62.658
tors. eta vs tors. theta energy: -118.058
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: 3
=====================================
Write number: 93
Temperature: 0.950000
Total energy: -1295.302361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1295.302361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1295.302361 (E_RNA)
where:
Base-Base interactions energy: -882.188
where: short stacking energy: -392.323
Base-Backbone interact. energy: -1.633
local terms energy: -411.481165
where:
bonds (distance) C4'-P energy: -69.064
bonds (distance) P-C4' energy: -85.013
flat angles C4'-P-C4' energy: -82.720
flat angles P-C4'-P energy: -61.454
tors. eta vs tors. theta energy: -113.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 93
Temperature: 1.000000
Total energy: -1204.423508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1204.423508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1204.423508 (E_RNA)
where:
Base-Base interactions energy: -811.781
where: short stacking energy: -360.859
Base-Backbone interact. energy: 2.490
local terms energy: -395.131905
where:
bonds (distance) C4'-P energy: -64.923
bonds (distance) P-C4' energy: -78.300
flat angles C4'-P-C4' energy: -87.404
flat angles P-C4'-P energy: -56.877
tors. eta vs tors. theta energy: -107.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 93
Temperature: 1.050000
Total energy: -1084.083842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1084.083842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1084.083842 (E_RNA)
where:
Base-Base interactions energy: -715.359
where: short stacking energy: -332.706
Base-Backbone interact. energy: -2.799
local terms energy: -365.925859
where:
bonds (distance) C4'-P energy: -66.222
bonds (distance) P-C4' energy: -70.457
flat angles C4'-P-C4' energy: -85.674
flat angles P-C4'-P energy: -46.880
tors. eta vs tors. theta energy: -96.693
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: 4
=====================================
Write number: 93
Temperature: 1.100000
Total energy: -1000.038045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1000.038045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1000.038045 (E_RNA)
where:
Base-Base interactions energy: -662.940
where: short stacking energy: -259.399
Base-Backbone interact. energy: -0.511
local terms energy: -336.586533
where:
bonds (distance) C4'-P energy: -76.235
bonds (distance) P-C4' energy: -72.878
flat angles C4'-P-C4' energy: -87.261
flat angles P-C4'-P energy: -48.801
tors. eta vs tors. theta energy: -51.413
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: 10
=====================================
Write number: 93
Temperature: 1.150000
Total energy: -1021.165441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1021.165441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1021.165441 (E_RNA)
where:
Base-Base interactions energy: -670.749
where: short stacking energy: -297.582
Base-Backbone interact. energy: -0.348
local terms energy: -350.067994
where:
bonds (distance) C4'-P energy: -71.878
bonds (distance) P-C4' energy: -79.908
flat angles C4'-P-C4' energy: -70.747
flat angles P-C4'-P energy: -49.903
tors. eta vs tors. theta energy: -77.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 93
Temperature: 1.200000
Total energy: -666.026200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -666.026200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -666.026200 (E_RNA)
where:
Base-Base interactions energy: -393.560
where: short stacking energy: -205.289
Base-Backbone interact. energy: 0.924
local terms energy: -273.389959
where:
bonds (distance) C4'-P energy: -68.917
bonds (distance) P-C4' energy: -63.470
flat angles C4'-P-C4' energy: -70.034
flat angles P-C4'-P energy: -33.599
tors. eta vs tors. theta energy: -37.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 93
Temperature: 1.250000
Total energy: -615.494521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -615.494521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -615.494521 (E_RNA)
where:
Base-Base interactions energy: -364.562
where: short stacking energy: -161.220
Base-Backbone interact. energy: -1.756
local terms energy: -249.176627
where:
bonds (distance) C4'-P energy: -61.692
bonds (distance) P-C4' energy: -65.559
flat angles C4'-P-C4' energy: -59.054
flat angles P-C4'-P energy: -44.511
tors. eta vs tors. theta energy: -18.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 93
Temperature: 1.300000
Total energy: -550.445951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.445951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.445951 (E_RNA)
where:
Base-Base interactions energy: -318.941
where: short stacking energy: -169.583
Base-Backbone interact. energy: -0.984
local terms energy: -230.521480
where:
bonds (distance) C4'-P energy: -56.861
bonds (distance) P-C4' energy: -65.927
flat angles C4'-P-C4' energy: -52.469
flat angles P-C4'-P energy: -33.542
tors. eta vs tors. theta energy: -21.722
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: 6
=====================================
Write number: 93
Temperature: 1.350000
Total energy: -537.805604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.805604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.805604 (E_RNA)
where:
Base-Base interactions energy: -283.444
where: short stacking energy: -166.053
Base-Backbone interact. energy: 0.308
local terms energy: -254.669599
where:
bonds (distance) C4'-P energy: -70.400
bonds (distance) P-C4' energy: -61.302
flat angles C4'-P-C4' energy: -57.883
flat angles P-C4'-P energy: -45.409
tors. eta vs tors. theta energy: -19.675
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: 1, replica: 7
=====================================
Write number: 94
Temperature: 0.900000
Total energy: -1379.882539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1379.882539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1379.882539 (E_RNA)
where:
Base-Base interactions energy: -950.744
where: short stacking energy: -409.978
Base-Backbone interact. energy: -2.656
local terms energy: -426.482046
where:
bonds (distance) C4'-P energy: -70.452
bonds (distance) P-C4' energy: -76.487
flat angles C4'-P-C4' energy: -92.252
flat angles P-C4'-P energy: -61.298
tors. eta vs tors. theta energy: -125.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 94
Temperature: 0.950000
Total energy: -1326.245091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1326.245091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1326.245091 (E_RNA)
where:
Base-Base interactions energy: -910.275
where: short stacking energy: -401.548
Base-Backbone interact. energy: -1.155
local terms energy: -414.814849
where:
bonds (distance) C4'-P energy: -73.998
bonds (distance) P-C4' energy: -76.642
flat angles C4'-P-C4' energy: -81.344
flat angles P-C4'-P energy: -66.692
tors. eta vs tors. theta energy: -116.139
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: 3, replica: 9
=====================================
Write number: 94
Temperature: 1.000000
Total energy: -1177.859625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1177.859625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1177.859625 (E_RNA)
where:
Base-Base interactions energy: -808.138
where: short stacking energy: -357.470
Base-Backbone interact. energy: 0.273
local terms energy: -369.994251
where:
bonds (distance) C4'-P energy: -67.022
bonds (distance) P-C4' energy: -68.734
flat angles C4'-P-C4' energy: -84.770
flat angles P-C4'-P energy: -46.379
tors. eta vs tors. theta energy: -103.090
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: 4, replica: 1
=====================================
Write number: 94
Temperature: 1.050000
Total energy: -1077.733627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1077.733627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1077.733627 (E_RNA)
where:
Base-Base interactions energy: -693.446
where: short stacking energy: -334.833
Base-Backbone interact. energy: -0.409
local terms energy: -383.879420
where:
bonds (distance) C4'-P energy: -71.951
bonds (distance) P-C4' energy: -74.484
flat angles C4'-P-C4' energy: -82.605
flat angles P-C4'-P energy: -59.402
tors. eta vs tors. theta energy: -95.437
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: 5, replica: 10
=====================================
Write number: 94
Temperature: 1.100000
Total energy: -1086.524867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1086.524867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1086.524867 (E_RNA)
where:
Base-Base interactions energy: -728.649
where: short stacking energy: -328.895
Base-Backbone interact. energy: -1.831
local terms energy: -356.045319
where:
bonds (distance) C4'-P energy: -67.787
bonds (distance) P-C4' energy: -64.487
flat angles C4'-P-C4' energy: -80.116
flat angles P-C4'-P energy: -52.606
tors. eta vs tors. theta energy: -91.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 94
Temperature: 1.150000
Total energy: -932.251803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -932.251803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -932.251803 (E_RNA)
where:
Base-Base interactions energy: -622.378
where: short stacking energy: -256.421
Base-Backbone interact. energy: -1.703
local terms energy: -308.170328
where:
bonds (distance) C4'-P energy: -71.129
bonds (distance) P-C4' energy: -68.726
flat angles C4'-P-C4' energy: -68.476
flat angles P-C4'-P energy: -44.683
tors. eta vs tors. theta energy: -55.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 94
Temperature: 1.200000
Total energy: -665.117515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -665.117515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -665.117515 (E_RNA)
where:
Base-Base interactions energy: -403.252
where: short stacking energy: -187.965
Base-Backbone interact. energy: -0.150
local terms energy: -261.715191
where:
bonds (distance) C4'-P energy: -60.421
bonds (distance) P-C4' energy: -79.884
flat angles C4'-P-C4' energy: -56.117
flat angles P-C4'-P energy: -36.098
tors. eta vs tors. theta energy: -29.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 94
Temperature: 1.250000
Total energy: -659.188500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -659.188500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -659.188500 (E_RNA)
where:
Base-Base interactions energy: -399.352
where: short stacking energy: -210.753
Base-Backbone interact. energy: 0.936
local terms energy: -260.772741
where:
bonds (distance) C4'-P energy: -61.956
bonds (distance) P-C4' energy: -71.296
flat angles C4'-P-C4' energy: -57.342
flat angles P-C4'-P energy: -38.074
tors. eta vs tors. theta energy: -32.106
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: 9, replica: 5
=====================================
Write number: 94
Temperature: 1.300000
Total energy: -496.599448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.599448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.599448 (E_RNA)
where:
Base-Base interactions energy: -280.094
where: short stacking energy: -162.147
Base-Backbone interact. energy: 0.190
local terms energy: -216.694824
where:
bonds (distance) C4'-P energy: -47.477
bonds (distance) P-C4' energy: -55.191
flat angles C4'-P-C4' energy: -57.888
flat angles P-C4'-P energy: -33.518
tors. eta vs tors. theta energy: -22.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 94
Temperature: 1.350000
Total energy: -531.202980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.202980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.202980 (E_RNA)
where:
Base-Base interactions energy: -316.844
where: short stacking energy: -153.470
Base-Backbone interact. energy: -1.247
local terms energy: -213.111764
where:
bonds (distance) C4'-P energy: -65.062
bonds (distance) P-C4' energy: -47.909
flat angles C4'-P-C4' energy: -58.424
flat angles P-C4'-P energy: -28.607
tors. eta vs tors. theta energy: -13.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 95
Temperature: 0.900000
Total energy: -1367.093076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1367.093076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1367.093076 (E_RNA)
where:
Base-Base interactions energy: -949.491
where: short stacking energy: -405.522
Base-Backbone interact. energy: 0.083
local terms energy: -417.684412
where:
bonds (distance) C4'-P energy: -73.877
bonds (distance) P-C4' energy: -86.084
flat angles C4'-P-C4' energy: -83.721
flat angles P-C4'-P energy: -56.120
tors. eta vs tors. theta energy: -117.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 95
Temperature: 0.950000
Total energy: -1321.873913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1321.873913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1321.873913 (E_RNA)
where:
Base-Base interactions energy: -923.821
where: short stacking energy: -401.513
Base-Backbone interact. energy: -1.195
local terms energy: -396.858300
where:
bonds (distance) C4'-P energy: -75.075
bonds (distance) P-C4' energy: -73.980
flat angles C4'-P-C4' energy: -78.332
flat angles P-C4'-P energy: -55.158
tors. eta vs tors. theta energy: -114.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 95
Temperature: 1.000000
Total energy: -1210.883792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1210.883792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1210.883792 (E_RNA)
where:
Base-Base interactions energy: -823.301
where: short stacking energy: -386.420
Base-Backbone interact. energy: -0.367
local terms energy: -387.215679
where:
bonds (distance) C4'-P energy: -70.232
bonds (distance) P-C4' energy: -74.719
flat angles C4'-P-C4' energy: -79.206
flat angles P-C4'-P energy: -56.468
tors. eta vs tors. theta energy: -106.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 95
Temperature: 1.050000
Total energy: -1090.968887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1090.968887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1090.968887 (E_RNA)
where:
Base-Base interactions energy: -742.858
where: short stacking energy: -311.564
Base-Backbone interact. energy: 4.651
local terms energy: -352.762398
where:
bonds (distance) C4'-P energy: -68.696
bonds (distance) P-C4' energy: -64.828
flat angles C4'-P-C4' energy: -78.052
flat angles P-C4'-P energy: -56.965
tors. eta vs tors. theta energy: -84.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 95
Temperature: 1.100000
Total energy: -1050.878057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1050.878057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1050.878057 (E_RNA)
where:
Base-Base interactions energy: -720.587
where: short stacking energy: -322.841
Base-Backbone interact. energy: -0.813
local terms energy: -329.477967
where:
bonds (distance) C4'-P energy: -49.538
bonds (distance) P-C4' energy: -68.441
flat angles C4'-P-C4' energy: -81.148
flat angles P-C4'-P energy: -46.039
tors. eta vs tors. theta energy: -84.311
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: 4
=====================================
Write number: 95
Temperature: 1.150000
Total energy: -926.285911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -926.285911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -926.285911 (E_RNA)
where:
Base-Base interactions energy: -624.204
where: short stacking energy: -276.088
Base-Backbone interact. energy: 0.918
local terms energy: -303.000096
where:
bonds (distance) C4'-P energy: -72.406
bonds (distance) P-C4' energy: -57.392
flat angles C4'-P-C4' energy: -78.634
flat angles P-C4'-P energy: -39.041
tors. eta vs tors. theta energy: -55.528
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: 2
=====================================
Write number: 95
Temperature: 1.200000
Total energy: -638.706101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -638.706101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -638.706101 (E_RNA)
where:
Base-Base interactions energy: -388.993
where: short stacking energy: -175.704
Base-Backbone interact. energy: 5.017
local terms energy: -254.729957
where:
bonds (distance) C4'-P energy: -65.418
bonds (distance) P-C4' energy: -68.112
flat angles C4'-P-C4' energy: -63.737
flat angles P-C4'-P energy: -38.601
tors. eta vs tors. theta energy: -18.862
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: 8
=====================================
Write number: 95
Temperature: 1.250000
Total energy: -752.980527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -752.980527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -752.980527 (E_RNA)
where:
Base-Base interactions energy: -484.124
where: short stacking energy: -214.403
Base-Backbone interact. energy: -1.033
local terms energy: -267.822842
where:
bonds (distance) C4'-P energy: -61.083
bonds (distance) P-C4' energy: -64.147
flat angles C4'-P-C4' energy: -59.983
flat angles P-C4'-P energy: -40.116
tors. eta vs tors. theta energy: -42.494
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: 5
=====================================
Write number: 95
Temperature: 1.300000
Total energy: -500.187531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.187531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.187531 (E_RNA)
where:
Base-Base interactions energy: -267.128
where: short stacking energy: -149.478
Base-Backbone interact. energy: -0.860
local terms energy: -232.199248
where:
bonds (distance) C4'-P energy: -66.203
bonds (distance) P-C4' energy: -71.803
flat angles C4'-P-C4' energy: -43.226
flat angles P-C4'-P energy: -29.845
tors. eta vs tors. theta energy: -21.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 95
Temperature: 1.350000
Total energy: -539.702178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.702178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.702178 (E_RNA)
where:
Base-Base interactions energy: -322.582
where: short stacking energy: -169.790
Base-Backbone interact. energy: -1.101
local terms energy: -216.019226
where:
bonds (distance) C4'-P energy: -50.808
bonds (distance) P-C4' energy: -63.732
flat angles C4'-P-C4' energy: -46.259
flat angles P-C4'-P energy: -41.184
tors. eta vs tors. theta energy: -14.036
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: 7
=====================================
Write number: 96
Temperature: 0.900000
Total energy: -1376.678644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1376.678644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1376.678644 (E_RNA)
where:
Base-Base interactions energy: -952.757
where: short stacking energy: -405.510
Base-Backbone interact. energy: -0.960
local terms energy: -422.961420
where:
bonds (distance) C4'-P energy: -73.959
bonds (distance) P-C4' energy: -81.375
flat angles C4'-P-C4' energy: -91.275
flat angles P-C4'-P energy: -58.554
tors. eta vs tors. theta energy: -117.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 96
Temperature: 0.950000
Total energy: -1328.748609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1328.748609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1328.748609 (E_RNA)
where:
Base-Base interactions energy: -922.781
where: short stacking energy: -391.844
Base-Backbone interact. energy: -0.881
local terms energy: -405.086864
where:
bonds (distance) C4'-P energy: -71.922
bonds (distance) P-C4' energy: -70.958
flat angles C4'-P-C4' energy: -87.404
flat angles P-C4'-P energy: -59.342
tors. eta vs tors. theta energy: -115.461
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: 9
=====================================
Write number: 96
Temperature: 1.000000
Total energy: -1198.806570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1198.806570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1198.806570 (E_RNA)
where:
Base-Base interactions energy: -795.205
where: short stacking energy: -376.556
Base-Backbone interact. energy: -1.361
local terms energy: -402.239754
where:
bonds (distance) C4'-P energy: -79.463
bonds (distance) P-C4' energy: -71.802
flat angles C4'-P-C4' energy: -84.863
flat angles P-C4'-P energy: -59.257
tors. eta vs tors. theta energy: -106.855
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: 10
=====================================
Write number: 96
Temperature: 1.050000
Total energy: -1090.062858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1090.062858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1090.062858 (E_RNA)
where:
Base-Base interactions energy: -723.236
where: short stacking energy: -307.510
Base-Backbone interact. energy: -0.484
local terms energy: -366.342053
where:
bonds (distance) C4'-P energy: -74.135
bonds (distance) P-C4' energy: -71.134
flat angles C4'-P-C4' energy: -88.720
flat angles P-C4'-P energy: -51.945
tors. eta vs tors. theta energy: -80.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 96
Temperature: 1.100000
Total energy: -989.366097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -989.366097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -989.366097 (E_RNA)
where:
Base-Base interactions energy: -657.816
where: short stacking energy: -290.119
Base-Backbone interact. energy: -3.636
local terms energy: -327.914480
where:
bonds (distance) C4'-P energy: -59.041
bonds (distance) P-C4' energy: -60.809
flat angles C4'-P-C4' energy: -84.905
flat angles P-C4'-P energy: -42.345
tors. eta vs tors. theta energy: -80.815
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: 6, replica: 4
=====================================
Write number: 96
Temperature: 1.150000
Total energy: -915.126276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -915.126276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -915.126276 (E_RNA)
where:
Base-Base interactions energy: -600.671
where: short stacking energy: -281.138
Base-Backbone interact. energy: 2.384
local terms energy: -316.839609
where:
bonds (distance) C4'-P energy: -68.028
bonds (distance) P-C4' energy: -75.801
flat angles C4'-P-C4' energy: -72.395
flat angles P-C4'-P energy: -43.153
tors. eta vs tors. theta energy: -57.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 96
Temperature: 1.200000
Total energy: -813.141198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -813.141198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -813.141198 (E_RNA)
where:
Base-Base interactions energy: -537.892
where: short stacking energy: -223.674
Base-Backbone interact. energy: -1.083
local terms energy: -274.166366
where:
bonds (distance) C4'-P energy: -51.615
bonds (distance) P-C4' energy: -57.981
flat angles C4'-P-C4' energy: -69.478
flat angles P-C4'-P energy: -42.385
tors. eta vs tors. theta energy: -52.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 96
Temperature: 1.250000
Total energy: -643.800349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -643.800349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -643.800349 (E_RNA)
where:
Base-Base interactions energy: -370.878
where: short stacking energy: -202.152
Base-Backbone interact. energy: 1.287
local terms energy: -274.209071
where:
bonds (distance) C4'-P energy: -70.015
bonds (distance) P-C4' energy: -77.053
flat angles C4'-P-C4' energy: -60.470
flat angles P-C4'-P energy: -41.018
tors. eta vs tors. theta energy: -25.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 96
Temperature: 1.300000
Total energy: -526.314269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.314269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.314269 (E_RNA)
where:
Base-Base interactions energy: -277.627
where: short stacking energy: -163.509
Base-Backbone interact. energy: 0.195
local terms energy: -248.881721
where:
bonds (distance) C4'-P energy: -62.605
bonds (distance) P-C4' energy: -73.378
flat angles C4'-P-C4' energy: -53.319
flat angles P-C4'-P energy: -34.116
tors. eta vs tors. theta energy: -25.464
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: 10, replica: 5
=====================================
Write number: 96
Temperature: 1.350000
Total energy: -519.435291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.435291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.435291 (E_RNA)
where:
Base-Base interactions energy: -280.719
where: short stacking energy: -134.174
Base-Backbone interact. energy: -0.213
local terms energy: -238.502845
where:
bonds (distance) C4'-P energy: -48.557
bonds (distance) P-C4' energy: -77.047
flat angles C4'-P-C4' energy: -70.897
flat angles P-C4'-P energy: -35.229
tors. eta vs tors. theta energy: -6.773
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: 97
Temperature: 0.900000
Total energy: -1390.236541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1390.236541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1390.236541 (E_RNA)
where:
Base-Base interactions energy: -955.806
where: short stacking energy: -411.610
Base-Backbone interact. energy: -2.978
local terms energy: -431.452332
where:
bonds (distance) C4'-P energy: -80.577
bonds (distance) P-C4' energy: -83.426
flat angles C4'-P-C4' energy: -84.480
flat angles P-C4'-P energy: -60.127
tors. eta vs tors. theta energy: -122.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 97
Temperature: 0.950000
Total energy: -1326.977308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1326.977308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1326.977308 (E_RNA)
where:
Base-Base interactions energy: -927.810
where: short stacking energy: -399.370
Base-Backbone interact. energy: -0.647
local terms energy: -398.521043
where:
bonds (distance) C4'-P energy: -73.857
bonds (distance) P-C4' energy: -72.216
flat angles C4'-P-C4' energy: -82.246
flat angles P-C4'-P energy: -53.637
tors. eta vs tors. theta energy: -116.564
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: 3, replica: 9
=====================================
Write number: 97
Temperature: 1.000000
Total energy: -1188.358763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1188.358763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1188.358763 (E_RNA)
where:
Base-Base interactions energy: -785.571
where: short stacking energy: -351.349
Base-Backbone interact. energy: -2.158
local terms energy: -400.630224
where:
bonds (distance) C4'-P energy: -77.349
bonds (distance) P-C4' energy: -78.521
flat angles C4'-P-C4' energy: -76.964
flat angles P-C4'-P energy: -63.298
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: 4, replica: 10
=====================================
Write number: 97
Temperature: 1.050000
Total energy: -1063.963748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1063.963748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1063.963748 (E_RNA)
where:
Base-Base interactions energy: -736.376
where: short stacking energy: -327.502
Base-Backbone interact. energy: -0.035
local terms energy: -327.552433
where:
bonds (distance) C4'-P energy: -60.277
bonds (distance) P-C4' energy: -65.875
flat angles C4'-P-C4' energy: -72.187
flat angles P-C4'-P energy: -50.839
tors. eta vs tors. theta energy: -78.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 97
Temperature: 1.100000
Total energy: -939.810484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -939.810484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -939.810484 (E_RNA)
where:
Base-Base interactions energy: -616.783
where: short stacking energy: -302.862
Base-Backbone interact. energy: -2.090
local terms energy: -320.937155
where:
bonds (distance) C4'-P energy: -64.506
bonds (distance) P-C4' energy: -61.623
flat angles C4'-P-C4' energy: -75.784
flat angles P-C4'-P energy: -43.130
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: 6, replica: 4
=====================================
Write number: 97
Temperature: 1.150000
Total energy: -959.517557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -959.517557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -959.517557 (E_RNA)
where:
Base-Base interactions energy: -648.288
where: short stacking energy: -287.680
Base-Backbone interact. energy: -1.873
local terms energy: -309.356262
where:
bonds (distance) C4'-P energy: -44.440
bonds (distance) P-C4' energy: -82.949
flat angles C4'-P-C4' energy: -74.705
flat angles P-C4'-P energy: -40.906
tors. eta vs tors. theta energy: -66.355
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: 8
=====================================
Write number: 97
Temperature: 1.200000
Total energy: -885.040066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -885.040066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -885.040066 (E_RNA)
where:
Base-Base interactions energy: -580.506
where: short stacking energy: -273.140
Base-Backbone interact. energy: -0.434
local terms energy: -304.100523
where:
bonds (distance) C4'-P energy: -58.751
bonds (distance) P-C4' energy: -58.564
flat angles C4'-P-C4' energy: -71.493
flat angles P-C4'-P energy: -50.796
tors. eta vs tors. theta energy: -64.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 97
Temperature: 1.250000
Total energy: -637.159693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -637.159693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -637.159693 (E_RNA)
where:
Base-Base interactions energy: -359.871
where: short stacking energy: -195.397
Base-Backbone interact. energy: -0.995
local terms energy: -276.293783
where:
bonds (distance) C4'-P energy: -63.952
bonds (distance) P-C4' energy: -62.472
flat angles C4'-P-C4' energy: -65.395
flat angles P-C4'-P energy: -36.421
tors. eta vs tors. theta energy: -48.054
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: 6
=====================================
Write number: 97
Temperature: 1.300000
Total energy: -557.624394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.624394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.624394 (E_RNA)
where:
Base-Base interactions energy: -321.701
where: short stacking energy: -154.615
Base-Backbone interact. energy: -1.557
local terms energy: -234.365776
where:
bonds (distance) C4'-P energy: -57.741
bonds (distance) P-C4' energy: -68.084
flat angles C4'-P-C4' energy: -70.793
flat angles P-C4'-P energy: -42.428
tors. eta vs tors. theta energy: 4.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 97
Temperature: 1.350000
Total energy: -470.730660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.730660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.730660 (E_RNA)
where:
Base-Base interactions energy: -238.469
where: short stacking energy: -125.860
Base-Backbone interact. energy: -0.877
local terms energy: -231.383967
where:
bonds (distance) C4'-P energy: -74.251
bonds (distance) P-C4' energy: -71.666
flat angles C4'-P-C4' energy: -52.371
flat angles P-C4'-P energy: -29.256
tors. eta vs tors. theta energy: -3.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 98
Temperature: 0.900000
Total energy: -1381.428393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1381.428393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1381.428393 (E_RNA)
where:
Base-Base interactions energy: -981.985
where: short stacking energy: -417.047
Base-Backbone interact. energy: 1.544
local terms energy: -400.986650
where:
bonds (distance) C4'-P energy: -69.544
bonds (distance) P-C4' energy: -68.307
flat angles C4'-P-C4' energy: -89.537
flat angles P-C4'-P energy: -55.842
tors. eta vs tors. theta energy: -117.758
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: 3
=====================================
Write number: 98
Temperature: 0.950000
Total energy: -1317.859447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1317.859447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1317.859447 (E_RNA)
where:
Base-Base interactions energy: -893.502
where: short stacking energy: -380.359
Base-Backbone interact. energy: -0.960
local terms energy: -423.398025
where:
bonds (distance) C4'-P energy: -73.238
bonds (distance) P-C4' energy: -81.700
flat angles C4'-P-C4' energy: -93.795
flat angles P-C4'-P energy: -59.044
tors. eta vs tors. theta energy: -115.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 98
Temperature: 1.000000
Total energy: -1186.116273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1186.116273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1186.116273 (E_RNA)
where:
Base-Base interactions energy: -779.738
where: short stacking energy: -359.573
Base-Backbone interact. energy: -1.981
local terms energy: -404.396893
where:
bonds (distance) C4'-P energy: -76.355
bonds (distance) P-C4' energy: -80.014
flat angles C4'-P-C4' energy: -88.656
flat angles P-C4'-P energy: -58.597
tors. eta vs tors. theta energy: -100.775
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: 10
=====================================
Write number: 98
Temperature: 1.050000
Total energy: -1116.444699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1116.444699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1116.444699 (E_RNA)
where:
Base-Base interactions energy: -742.957
where: short stacking energy: -346.314
Base-Backbone interact. energy: -1.295
local terms energy: -372.192580
where:
bonds (distance) C4'-P energy: -82.928
bonds (distance) P-C4' energy: -82.371
flat angles C4'-P-C4' energy: -77.936
flat angles P-C4'-P energy: -45.207
tors. eta vs tors. theta energy: -83.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 98
Temperature: 1.100000
Total energy: -987.470139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -987.470139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -987.470139 (E_RNA)
where:
Base-Base interactions energy: -664.488
where: short stacking energy: -268.279
Base-Backbone interact. energy: 1.023
local terms energy: -324.005714
where:
bonds (distance) C4'-P energy: -59.333
bonds (distance) P-C4' energy: -70.472
flat angles C4'-P-C4' energy: -76.050
flat angles P-C4'-P energy: -48.803
tors. eta vs tors. theta energy: -69.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 98
Temperature: 1.150000
Total energy: -953.118176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -953.118176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -953.118176 (E_RNA)
where:
Base-Base interactions energy: -627.315
where: short stacking energy: -291.133
Base-Backbone interact. energy: -1.091
local terms energy: -324.711607
where:
bonds (distance) C4'-P energy: -63.751
bonds (distance) P-C4' energy: -64.700
flat angles C4'-P-C4' energy: -71.459
flat angles P-C4'-P energy: -47.368
tors. eta vs tors. theta energy: -77.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 98
Temperature: 1.200000
Total energy: -885.006055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -885.006055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -885.006055 (E_RNA)
where:
Base-Base interactions energy: -557.184
where: short stacking energy: -249.885
Base-Backbone interact. energy: 3.067
local terms energy: -330.888893
where:
bonds (distance) C4'-P energy: -70.100
bonds (distance) P-C4' energy: -70.032
flat angles C4'-P-C4' energy: -84.536
flat angles P-C4'-P energy: -44.295
tors. eta vs tors. theta energy: -61.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 98
Temperature: 1.250000
Total energy: -626.692552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -626.692552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -626.692552 (E_RNA)
where:
Base-Base interactions energy: -367.396
where: short stacking energy: -168.081
Base-Backbone interact. energy: 2.462
local terms energy: -261.758151
where:
bonds (distance) C4'-P energy: -56.997
bonds (distance) P-C4' energy: -69.396
flat angles C4'-P-C4' energy: -65.698
flat angles P-C4'-P energy: -45.872
tors. eta vs tors. theta energy: -23.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 98
Temperature: 1.300000
Total energy: -596.175553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -596.175553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -596.175553 (E_RNA)
where:
Base-Base interactions energy: -332.585
where: short stacking energy: -170.518
Base-Backbone interact. energy: 1.642
local terms energy: -265.232034
where:
bonds (distance) C4'-P energy: -75.158
bonds (distance) P-C4' energy: -66.640
flat angles C4'-P-C4' energy: -54.968
flat angles P-C4'-P energy: -41.926
tors. eta vs tors. theta energy: -26.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 98
Temperature: 1.350000
Total energy: -506.734609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.734609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.734609 (E_RNA)
where:
Base-Base interactions energy: -263.520
where: short stacking energy: -126.335
Base-Backbone interact. energy: -1.590
local terms energy: -241.624119
where:
bonds (distance) C4'-P energy: -75.062
bonds (distance) P-C4' energy: -67.799
flat angles C4'-P-C4' energy: -55.933
flat angles P-C4'-P energy: -32.323
tors. eta vs tors. theta energy: -10.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 99
Temperature: 0.900000
Total energy: -1385.891028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1385.891028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1385.891028 (E_RNA)
where:
Base-Base interactions energy: -972.899
where: short stacking energy: -396.229
Base-Backbone interact. energy: 1.978
local terms energy: -414.970154
where:
bonds (distance) C4'-P energy: -81.470
bonds (distance) P-C4' energy: -81.808
flat angles C4'-P-C4' energy: -77.895
flat angles P-C4'-P energy: -64.642
tors. eta vs tors. theta energy: -109.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 99
Temperature: 0.950000
Total energy: -1300.158076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1300.158076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1300.158076 (E_RNA)
where:
Base-Base interactions energy: -877.967
where: short stacking energy: -385.065
Base-Backbone interact. energy: -1.766
local terms energy: -420.424732
where:
bonds (distance) C4'-P energy: -71.973
bonds (distance) P-C4' energy: -84.474
flat angles C4'-P-C4' energy: -88.908
flat angles P-C4'-P energy: -57.196
tors. eta vs tors. theta energy: -117.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 99
Temperature: 1.000000
Total energy: -1172.048552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1172.048552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1172.048552 (E_RNA)
where:
Base-Base interactions energy: -782.813
where: short stacking energy: -351.533
Base-Backbone interact. energy: -0.584
local terms energy: -388.651987
where:
bonds (distance) C4'-P energy: -70.731
bonds (distance) P-C4' energy: -78.240
flat angles C4'-P-C4' energy: -80.926
flat angles P-C4'-P energy: -60.694
tors. eta vs tors. theta energy: -98.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 99
Temperature: 1.050000
Total energy: -1078.919423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1078.919423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1078.919423 (E_RNA)
where:
Base-Base interactions energy: -704.861
where: short stacking energy: -289.801
Base-Backbone interact. energy: -1.766
local terms energy: -372.292025
where:
bonds (distance) C4'-P energy: -76.729
bonds (distance) P-C4' energy: -86.448
flat angles C4'-P-C4' energy: -73.725
flat angles P-C4'-P energy: -57.438
tors. eta vs tors. theta energy: -77.952
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: 5, replica: 4
=====================================
Write number: 99
Temperature: 1.100000
Total energy: -971.613665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -971.613665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -971.613665 (E_RNA)
where:
Base-Base interactions energy: -662.981
where: short stacking energy: -267.388
Base-Backbone interact. energy: 2.296
local terms energy: -310.927862
where:
bonds (distance) C4'-P energy: -57.328
bonds (distance) P-C4' energy: -71.505
flat angles C4'-P-C4' energy: -71.025
flat angles P-C4'-P energy: -52.372
tors. eta vs tors. theta energy: -58.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 99
Temperature: 1.150000
Total energy: -958.317961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -958.317961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -958.317961 (E_RNA)
where:
Base-Base interactions energy: -608.834
where: short stacking energy: -279.337
Base-Backbone interact. energy: 2.724
local terms energy: -352.208075
where:
bonds (distance) C4'-P energy: -70.491
bonds (distance) P-C4' energy: -78.196
flat angles C4'-P-C4' energy: -74.312
flat angles P-C4'-P energy: -60.299
tors. eta vs tors. theta energy: -68.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 99
Temperature: 1.200000
Total energy: -904.472835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -904.472835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -904.472835 (E_RNA)
where:
Base-Base interactions energy: -604.112
where: short stacking energy: -280.712
Base-Backbone interact. energy: -1.583
local terms energy: -298.778156
where:
bonds (distance) C4'-P energy: -66.270
bonds (distance) P-C4' energy: -49.442
flat angles C4'-P-C4' energy: -80.072
flat angles P-C4'-P energy: -36.787
tors. eta vs tors. theta energy: -66.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 99
Temperature: 1.250000
Total energy: -558.254507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.254507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.254507 (E_RNA)
where:
Base-Base interactions energy: -324.572
where: short stacking energy: -163.877
Base-Backbone interact. energy: 0.395
local terms energy: -234.077305
where:
bonds (distance) C4'-P energy: -59.544
bonds (distance) P-C4' energy: -69.463
flat angles C4'-P-C4' energy: -66.582
flat angles P-C4'-P energy: -32.934
tors. eta vs tors. theta energy: -5.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 99
Temperature: 1.300000
Total energy: -599.922989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -599.922989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -599.922989 (E_RNA)
where:
Base-Base interactions energy: -343.156
where: short stacking energy: -165.899
Base-Backbone interact. energy: 0.759
local terms energy: -257.526928
where:
bonds (distance) C4'-P energy: -71.433
bonds (distance) P-C4' energy: -62.224
flat angles C4'-P-C4' energy: -68.049
flat angles P-C4'-P energy: -37.889
tors. eta vs tors. theta energy: -17.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 99
Temperature: 1.350000
Total energy: -490.375827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.375827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.375827 (E_RNA)
where:
Base-Base interactions energy: -266.841
where: short stacking energy: -161.258
Base-Backbone interact. energy: -2.281
local terms energy: -221.253998
where:
bonds (distance) C4'-P energy: -53.770
bonds (distance) P-C4' energy: -47.860
flat angles C4'-P-C4' energy: -74.852
flat angles P-C4'-P energy: -35.140
tors. eta vs tors. theta energy: -9.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 100
Temperature: 0.900000
Total energy: -1364.473788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1364.473788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1364.473788 (E_RNA)
where:
Base-Base interactions energy: -932.370
where: short stacking energy: -400.624
Base-Backbone interact. energy: -1.419
local terms energy: -431.656802
where:
bonds (distance) C4'-P energy: -81.922
bonds (distance) P-C4' energy: -79.909
flat angles C4'-P-C4' energy: -85.472
flat angles P-C4'-P energy: -68.999
tors. eta vs tors. theta energy: -115.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.972 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 100
Temperature: 0.950000
Total energy: -1296.370651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1296.370651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1296.370651 (E_RNA)
where:
Base-Base interactions energy: -880.380
where: short stacking energy: -379.655
Base-Backbone interact. energy: -1.185
local terms energy: -414.806020
where:
bonds (distance) C4'-P energy: -73.385
bonds (distance) P-C4' energy: -80.971
flat angles C4'-P-C4' energy: -91.331
flat angles P-C4'-P energy: -51.308
tors. eta vs tors. theta energy: -117.812
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: 9
=====================================
Write number: 100
Temperature: 1.000000
Total energy: -1191.584538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1191.584538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1191.584538 (E_RNA)
where:
Base-Base interactions energy: -796.556
where: short stacking energy: -374.763
Base-Backbone interact. energy: 1.366
local terms energy: -396.394259
where:
bonds (distance) C4'-P energy: -66.478
bonds (distance) P-C4' energy: -71.038
flat angles C4'-P-C4' energy: -91.853
flat angles P-C4'-P energy: -57.631
tors. eta vs tors. theta energy: -109.395
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: 10
=====================================
Write number: 100
Temperature: 1.050000
Total energy: -1097.713685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1097.713685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1097.713685 (E_RNA)
where:
Base-Base interactions energy: -758.866
where: short stacking energy: -313.338
Base-Backbone interact. energy: -0.726
local terms energy: -338.121701
where:
bonds (distance) C4'-P energy: -54.426
bonds (distance) P-C4' energy: -76.092
flat angles C4'-P-C4' energy: -78.272
flat angles P-C4'-P energy: -45.789
tors. eta vs tors. theta energy: -83.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 100
Temperature: 1.100000
Total energy: -990.752499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -990.752499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -990.752499 (E_RNA)
where:
Base-Base interactions energy: -672.748
where: short stacking energy: -259.553
Base-Backbone interact. energy: -0.784
local terms energy: -317.221263
where:
bonds (distance) C4'-P energy: -69.451
bonds (distance) P-C4' energy: -70.968
flat angles C4'-P-C4' energy: -72.129
flat angles P-C4'-P energy: -47.923
tors. eta vs tors. theta energy: -56.750
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: 6, replica: 1
=====================================
Write number: 100
Temperature: 1.150000
Total energy: -965.097587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -965.097587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -965.097587 (E_RNA)
where:
Base-Base interactions energy: -611.405
where: short stacking energy: -287.696
Base-Backbone interact. energy: 0.725
local terms energy: -354.417767
where:
bonds (distance) C4'-P energy: -81.409
bonds (distance) P-C4' energy: -60.522
flat angles C4'-P-C4' energy: -82.654
flat angles P-C4'-P energy: -51.035
tors. eta vs tors. theta energy: -78.798
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: 8
=====================================
Write number: 100
Temperature: 1.200000
Total energy: -943.715482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -943.715482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -943.715482 (E_RNA)
where:
Base-Base interactions energy: -630.124
where: short stacking energy: -262.220
Base-Backbone interact. energy: 2.804
local terms energy: -316.396084
where:
bonds (distance) C4'-P energy: -66.864
bonds (distance) P-C4' energy: -67.649
flat angles C4'-P-C4' energy: -75.117
flat angles P-C4'-P energy: -40.005
tors. eta vs tors. theta energy: -66.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 100
Temperature: 1.250000
Total energy: -584.262052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -584.262052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -584.262052 (E_RNA)
where:
Base-Base interactions energy: -328.962
where: short stacking energy: -167.446
Base-Backbone interact. energy: -0.058
local terms energy: -255.242290
where:
bonds (distance) C4'-P energy: -69.551
bonds (distance) P-C4' energy: -59.417
flat angles C4'-P-C4' energy: -68.575
flat angles P-C4'-P energy: -38.652
tors. eta vs tors. theta energy: -19.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 100
Temperature: 1.300000
Total energy: -639.785783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -639.785783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -639.785783 (E_RNA)
where:
Base-Base interactions energy: -381.628
where: short stacking energy: -186.555
Base-Backbone interact. energy: -0.400
local terms energy: -257.758450
where:
bonds (distance) C4'-P energy: -54.587
bonds (distance) P-C4' energy: -63.845
flat angles C4'-P-C4' energy: -75.744
flat angles P-C4'-P energy: -41.323
tors. eta vs tors. theta energy: -22.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 100
Temperature: 1.350000
Total energy: -497.243669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.243669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.243669 (E_RNA)
where:
Base-Base interactions energy: -275.176
where: short stacking energy: -139.841
Base-Backbone interact. energy: 0.713
local terms energy: -222.780578
where:
bonds (distance) C4'-P energy: -53.801
bonds (distance) P-C4' energy: -71.391
flat angles C4'-P-C4' energy: -49.165
flat angles P-C4'-P energy: -37.077
tors. eta vs tors. theta energy: -11.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 101
Temperature: 0.900000
Total energy: -1365.289283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1365.289283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1365.289283 (E_RNA)
where:
Base-Base interactions energy: -951.517
where: short stacking energy: -408.543
Base-Backbone interact. energy: -2.482
local terms energy: -411.291081
where:
bonds (distance) C4'-P energy: -80.689
bonds (distance) P-C4' energy: -65.974
flat angles C4'-P-C4' energy: -84.248
flat angles P-C4'-P energy: -64.713
tors. eta vs tors. theta energy: -115.667
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: 3
=====================================
Write number: 101
Temperature: 0.950000
Total energy: -1321.214816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1321.214816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1321.214816 (E_RNA)
where:
Base-Base interactions energy: -896.845
where: short stacking energy: -401.709
Base-Backbone interact. energy: -0.705
local terms energy: -423.664379
where:
bonds (distance) C4'-P energy: -74.644
bonds (distance) P-C4' energy: -84.723
flat angles C4'-P-C4' energy: -89.432
flat angles P-C4'-P energy: -61.323
tors. eta vs tors. theta energy: -113.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 101
Temperature: 1.000000
Total energy: -1176.965282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1176.965282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1176.965282 (E_RNA)
where:
Base-Base interactions energy: -788.654
where: short stacking energy: -347.428
Base-Backbone interact. energy: -0.411
local terms energy: -388.858678
where:
bonds (distance) C4'-P energy: -69.787
bonds (distance) P-C4' energy: -79.197
flat angles C4'-P-C4' energy: -79.717
flat angles P-C4'-P energy: -57.044
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: 0.958 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 101
Temperature: 1.050000
Total energy: -1102.393525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1102.393525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1102.393525 (E_RNA)
where:
Base-Base interactions energy: -748.157
where: short stacking energy: -335.815
Base-Backbone interact. energy: -2.989
local terms energy: -351.248367
where:
bonds (distance) C4'-P energy: -68.820
bonds (distance) P-C4' energy: -74.195
flat angles C4'-P-C4' energy: -64.759
flat angles P-C4'-P energy: -54.064
tors. eta vs tors. theta energy: -89.410
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: 4
=====================================
Write number: 101
Temperature: 1.100000
Total energy: -1025.252166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1025.252166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1025.252166 (E_RNA)
where:
Base-Base interactions energy: -710.475
where: short stacking energy: -285.157
Base-Backbone interact. energy: 1.653
local terms energy: -316.430274
where:
bonds (distance) C4'-P energy: -69.965
bonds (distance) P-C4' energy: -61.059
flat angles C4'-P-C4' energy: -77.705
flat angles P-C4'-P energy: -48.318
tors. eta vs tors. theta energy: -59.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 101
Temperature: 1.150000
Total energy: -958.615042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -958.615042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -958.615042 (E_RNA)
where:
Base-Base interactions energy: -622.336
where: short stacking energy: -307.729
Base-Backbone interact. energy: 0.640
local terms energy: -336.918496
where:
bonds (distance) C4'-P energy: -68.731
bonds (distance) P-C4' energy: -80.316
flat angles C4'-P-C4' energy: -76.727
flat angles P-C4'-P energy: -37.610
tors. eta vs tors. theta energy: -73.535
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: 8
=====================================
Write number: 101
Temperature: 1.200000
Total energy: -951.043299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -951.043299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -951.043299 (E_RNA)
where:
Base-Base interactions energy: -634.999
where: short stacking energy: -292.309
Base-Backbone interact. energy: -1.478
local terms energy: -319.565699
where:
bonds (distance) C4'-P energy: -57.646
bonds (distance) P-C4' energy: -69.412
flat angles C4'-P-C4' energy: -65.734
flat angles P-C4'-P energy: -56.121
tors. eta vs tors. theta energy: -70.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 5.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 101
Temperature: 1.250000
Total energy: -630.682813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -630.682813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -630.682813 (E_RNA)
where:
Base-Base interactions energy: -391.797
where: short stacking energy: -196.280
Base-Backbone interact. energy: 0.142
local terms energy: -239.027696
where:
bonds (distance) C4'-P energy: -63.205
bonds (distance) P-C4' energy: -65.319
flat angles C4'-P-C4' energy: -48.331
flat angles P-C4'-P energy: -35.329
tors. eta vs tors. theta energy: -26.844
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: 101
Temperature: 1.300000
Total energy: -572.736406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -572.736406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -572.736406 (E_RNA)
where:
Base-Base interactions energy: -342.608
where: short stacking energy: -180.681
Base-Backbone interact. energy: -0.324
local terms energy: -229.804458
where:
bonds (distance) C4'-P energy: -66.270
bonds (distance) P-C4' energy: -57.066
flat angles C4'-P-C4' energy: -56.621
flat angles P-C4'-P energy: -33.795
tors. eta vs tors. theta energy: -16.053
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: 5
=====================================
Write number: 101
Temperature: 1.350000
Total energy: -493.782867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.782867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.782867 (E_RNA)
where:
Base-Base interactions energy: -271.586
where: short stacking energy: -148.768
Base-Backbone interact. energy: -0.974
local terms energy: -221.540964
where:
bonds (distance) C4'-P energy: -57.414
bonds (distance) P-C4' energy: -65.485
flat angles C4'-P-C4' energy: -55.361
flat angles P-C4'-P energy: -37.077
tors. eta vs tors. theta energy: -6.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.319 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 102
Temperature: 0.900000
Total energy: -1390.578617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1390.578617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1390.578617 (E_RNA)
where:
Base-Base interactions energy: -958.432
where: short stacking energy: -406.457
Base-Backbone interact. energy: -2.115
local terms energy: -430.031518
where:
bonds (distance) C4'-P energy: -78.099
bonds (distance) P-C4' energy: -73.445
flat angles C4'-P-C4' energy: -93.846
flat angles P-C4'-P energy: -64.594
tors. eta vs tors. theta energy: -120.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 102
Temperature: 0.950000
Total energy: -1282.755257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1282.755257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1282.755257 (E_RNA)
where:
Base-Base interactions energy: -888.024
where: short stacking energy: -414.604
Base-Backbone interact. energy: 0.395
local terms energy: -395.126059
where:
bonds (distance) C4'-P energy: -68.378
bonds (distance) P-C4' energy: -74.763
flat angles C4'-P-C4' energy: -81.596
flat angles P-C4'-P energy: -58.619
tors. eta vs tors. theta energy: -111.770
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: 3, replica: 9
=====================================
Write number: 102
Temperature: 1.000000
Total energy: -1202.646966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1202.646966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1202.646966 (E_RNA)
where:
Base-Base interactions energy: -819.191
where: short stacking energy: -375.462
Base-Backbone interact. energy: -0.795
local terms energy: -382.660252
where:
bonds (distance) C4'-P energy: -63.126
bonds (distance) P-C4' energy: -64.908
flat angles C4'-P-C4' energy: -87.173
flat angles P-C4'-P energy: -52.960
tors. eta vs tors. theta energy: -114.493
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: 10
=====================================
Write number: 102
Temperature: 1.050000
Total energy: -1106.618846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1106.618846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1106.618846 (E_RNA)
where:
Base-Base interactions energy: -759.270
where: short stacking energy: -316.008
Base-Backbone interact. energy: -1.315
local terms energy: -346.033875
where:
bonds (distance) C4'-P energy: -75.867
bonds (distance) P-C4' energy: -71.845
flat angles C4'-P-C4' energy: -72.055
flat angles P-C4'-P energy: -42.071
tors. eta vs tors. theta energy: -84.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 102
Temperature: 1.100000
Total energy: -1063.383316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1063.383316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1063.383316 (E_RNA)
where:
Base-Base interactions energy: -691.143
where: short stacking energy: -311.589
Base-Backbone interact. energy: -0.242
local terms energy: -371.997943
where:
bonds (distance) C4'-P energy: -79.456
bonds (distance) P-C4' energy: -80.487
flat angles C4'-P-C4' energy: -66.287
flat angles P-C4'-P energy: -70.176
tors. eta vs tors. theta energy: -75.592
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: 1
=====================================
Write number: 102
Temperature: 1.150000
Total energy: -965.381754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -965.381754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -965.381754 (E_RNA)
where:
Base-Base interactions energy: -636.494
where: short stacking energy: -272.173
Base-Backbone interact. energy: -1.340
local terms energy: -327.547247
where:
bonds (distance) C4'-P energy: -71.853
bonds (distance) P-C4' energy: -77.171
flat angles C4'-P-C4' energy: -66.746
flat angles P-C4'-P energy: -41.131
tors. eta vs tors. theta energy: -70.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 102
Temperature: 1.200000
Total energy: -954.611064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -954.611064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -954.611064 (E_RNA)
where:
Base-Base interactions energy: -626.550
where: short stacking energy: -278.982
Base-Backbone interact. energy: -0.933
local terms energy: -327.128387
where:
bonds (distance) C4'-P energy: -76.428
bonds (distance) P-C4' energy: -69.623
flat angles C4'-P-C4' energy: -70.903
flat angles P-C4'-P energy: -39.610
tors. eta vs tors. theta energy: -70.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 102
Temperature: 1.250000
Total energy: -649.667005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -649.667005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -649.667005 (E_RNA)
where:
Base-Base interactions energy: -380.185
where: short stacking energy: -199.916
Base-Backbone interact. energy: 1.108
local terms energy: -270.589761
where:
bonds (distance) C4'-P energy: -64.099
bonds (distance) P-C4' energy: -77.254
flat angles C4'-P-C4' energy: -56.549
flat angles P-C4'-P energy: -42.457
tors. eta vs tors. theta energy: -30.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 102
Temperature: 1.300000
Total energy: -574.816683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -574.816683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -574.816683 (E_RNA)
where:
Base-Base interactions energy: -343.223
where: short stacking energy: -162.303
Base-Backbone interact. energy: -1.039
local terms energy: -230.554869
where:
bonds (distance) C4'-P energy: -46.879
bonds (distance) P-C4' energy: -62.914
flat angles C4'-P-C4' energy: -63.334
flat angles P-C4'-P energy: -33.860
tors. eta vs tors. theta energy: -23.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 102
Temperature: 1.350000
Total energy: -463.388304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.388304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.388304 (E_RNA)
where:
Base-Base interactions energy: -226.840
where: short stacking energy: -146.718
Base-Backbone interact. energy: -0.946
local terms energy: -235.603219
where:
bonds (distance) C4'-P energy: -68.107
bonds (distance) P-C4' energy: -59.656
flat angles C4'-P-C4' energy: -55.071
flat angles P-C4'-P energy: -32.258
tors. eta vs tors. theta energy: -20.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 103
Temperature: 0.900000
Total energy: -1388.019344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1388.019344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1388.019344 (E_RNA)
where:
Base-Base interactions energy: -973.805
where: short stacking energy: -419.620
Base-Backbone interact. energy: -2.717
local terms energy: -411.498208
where:
bonds (distance) C4'-P energy: -74.664
bonds (distance) P-C4' energy: -68.108
flat angles C4'-P-C4' energy: -91.598
flat angles P-C4'-P energy: -61.879
tors. eta vs tors. theta energy: -115.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 103
Temperature: 0.950000
Total energy: -1283.463110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1283.463110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1283.463110 (E_RNA)
where:
Base-Base interactions energy: -869.326
where: short stacking energy: -400.132
Base-Backbone interact. energy: -3.500
local terms energy: -410.637325
where:
bonds (distance) C4'-P energy: -76.225
bonds (distance) P-C4' energy: -64.921
flat angles C4'-P-C4' energy: -87.370
flat angles P-C4'-P energy: -60.007
tors. eta vs tors. theta energy: -122.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 103
Temperature: 1.000000
Total energy: -1183.390288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1183.390288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1183.390288 (E_RNA)
where:
Base-Base interactions energy: -792.737
where: short stacking energy: -369.620
Base-Backbone interact. energy: -0.539
local terms energy: -390.113757
where:
bonds (distance) C4'-P energy: -71.449
bonds (distance) P-C4' energy: -80.512
flat angles C4'-P-C4' energy: -74.632
flat angles P-C4'-P energy: -56.407
tors. eta vs tors. theta energy: -107.114
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: 4, replica: 10
=====================================
Write number: 103
Temperature: 1.050000
Total energy: -1116.233038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1116.233038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1116.233038 (E_RNA)
where:
Base-Base interactions energy: -740.194
where: short stacking energy: -325.983
Base-Backbone interact. energy: -1.807
local terms energy: -374.232218
where:
bonds (distance) C4'-P energy: -76.867
bonds (distance) P-C4' energy: -71.737
flat angles C4'-P-C4' energy: -83.340
flat angles P-C4'-P energy: -58.045
tors. eta vs tors. theta energy: -84.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 103
Temperature: 1.100000
Total energy: -1049.380444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1049.380444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1049.380444 (E_RNA)
where:
Base-Base interactions energy: -690.684
where: short stacking energy: -293.845
Base-Backbone interact. energy: 6.239
local terms energy: -364.935430
where:
bonds (distance) C4'-P energy: -85.202
bonds (distance) P-C4' energy: -81.629
flat angles C4'-P-C4' energy: -67.519
flat angles P-C4'-P energy: -52.377
tors. eta vs tors. theta energy: -78.209
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: 1
=====================================
Write number: 103
Temperature: 1.150000
Total energy: -1000.870191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1000.870191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1000.870191 (E_RNA)
where:
Base-Base interactions energy: -650.773
where: short stacking energy: -304.624
Base-Backbone interact. energy: -2.150
local terms energy: -347.947669
where:
bonds (distance) C4'-P energy: -64.097
bonds (distance) P-C4' energy: -70.168
flat angles C4'-P-C4' energy: -80.642
flat angles P-C4'-P energy: -48.818
tors. eta vs tors. theta energy: -84.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 103
Temperature: 1.200000
Total energy: -910.730453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -910.730453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -910.730453 (E_RNA)
where:
Base-Base interactions energy: -601.396
where: short stacking energy: -256.342
Base-Backbone interact. energy: -2.028
local terms energy: -308.179490
where:
bonds (distance) C4'-P energy: -64.721
bonds (distance) P-C4' energy: -58.637
flat angles C4'-P-C4' energy: -74.086
flat angles P-C4'-P energy: -38.771
tors. eta vs tors. theta energy: -71.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.873 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 103
Temperature: 1.250000
Total energy: -722.962360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -722.962360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -722.962360 (E_RNA)
where:
Base-Base interactions energy: -460.939
where: short stacking energy: -188.891
Base-Backbone interact. energy: 0.461
local terms energy: -262.530069
where:
bonds (distance) C4'-P energy: -74.433
bonds (distance) P-C4' energy: -68.666
flat angles C4'-P-C4' energy: -56.937
flat angles P-C4'-P energy: -26.721
tors. eta vs tors. theta energy: -35.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.046 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 103
Temperature: 1.300000
Total energy: -600.735892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -600.735892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -600.735892 (E_RNA)
where:
Base-Base interactions energy: -365.118
where: short stacking energy: -159.804
Base-Backbone interact. energy: 0.145
local terms energy: -236.864258
where:
bonds (distance) C4'-P energy: -70.159
bonds (distance) P-C4' energy: -56.448
flat angles C4'-P-C4' energy: -60.056
flat angles P-C4'-P energy: -34.759
tors. eta vs tors. theta energy: -15.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.101 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 103
Temperature: 1.350000
Total energy: -390.563020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.563020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.563020 (E_RNA)
where:
Base-Base interactions energy: -171.268
where: short stacking energy: -117.104
Base-Backbone interact. energy: 1.118
local terms energy: -220.412404
where:
bonds (distance) C4'-P energy: -53.833
bonds (distance) P-C4' energy: -58.748
flat angles C4'-P-C4' energy: -72.353
flat angles P-C4'-P energy: -35.075
tors. eta vs tors. theta energy: -0.403
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: 7
=====================================
Write number: 104
Temperature: 0.900000
Total energy: -1366.271305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1366.271305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1366.271305 (E_RNA)
where:
Base-Base interactions energy: -948.269
where: short stacking energy: -398.866
Base-Backbone interact. energy: -1.432
local terms energy: -417.540827
where:
bonds (distance) C4'-P energy: -80.924
bonds (distance) P-C4' energy: -82.790
flat angles C4'-P-C4' energy: -86.536
flat angles P-C4'-P energy: -63.252
tors. eta vs tors. theta energy: -104.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.970 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 104
Temperature: 0.950000
Total energy: -1282.618400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1282.618400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1282.618400 (E_RNA)
where:
Base-Base interactions energy: -882.301
where: short stacking energy: -381.967
Base-Backbone interact. energy: 0.756
local terms energy: -401.074092
where:
bonds (distance) C4'-P energy: -65.591
bonds (distance) P-C4' energy: -84.991
flat angles C4'-P-C4' energy: -82.807
flat angles P-C4'-P energy: -55.340
tors. eta vs tors. theta energy: -112.345
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: 10
=====================================
Write number: 104
Temperature: 1.000000
Total energy: -1176.867095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1176.867095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1176.867095 (E_RNA)
where:
Base-Base interactions energy: -785.966
where: short stacking energy: -326.226
Base-Backbone interact. energy: -0.177
local terms energy: -390.724108
where:
bonds (distance) C4'-P energy: -69.073
bonds (distance) P-C4' energy: -82.370
flat angles C4'-P-C4' energy: -89.116
flat angles P-C4'-P energy: -61.017
tors. eta vs tors. theta energy: -89.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 104
Temperature: 1.050000
Total energy: -1178.325527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1178.325527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1178.325527 (E_RNA)
where:
Base-Base interactions energy: -797.729
where: short stacking energy: -367.100
Base-Backbone interact. energy: -0.988
local terms energy: -379.607825
where:
bonds (distance) C4'-P energy: -71.729
bonds (distance) P-C4' energy: -57.570
flat angles C4'-P-C4' energy: -84.085
flat angles P-C4'-P energy: -55.896
tors. eta vs tors. theta energy: -110.327
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: 4
=====================================
Write number: 104
Temperature: 1.100000
Total energy: -1006.299972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1006.299972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1006.299972 (E_RNA)
where:
Base-Base interactions energy: -677.834
where: short stacking energy: -301.787
Base-Backbone interact. energy: 1.937
local terms energy: -330.403053
where:
bonds (distance) C4'-P energy: -83.237
bonds (distance) P-C4' energy: -66.339
flat angles C4'-P-C4' energy: -67.918
flat angles P-C4'-P energy: -49.552
tors. eta vs tors. theta energy: -63.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 104
Temperature: 1.150000
Total energy: -1016.197137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1016.197137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1016.197137 (E_RNA)
where:
Base-Base interactions energy: -662.260
where: short stacking energy: -326.659
Base-Backbone interact. energy: -1.416
local terms energy: -352.521877
where:
bonds (distance) C4'-P energy: -60.965
bonds (distance) P-C4' energy: -76.378
flat angles C4'-P-C4' energy: -80.191
flat angles P-C4'-P energy: -42.789
tors. eta vs tors. theta energy: -92.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 104
Temperature: 1.200000
Total energy: -938.195183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -938.195183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -938.195183 (E_RNA)
where:
Base-Base interactions energy: -614.217
where: short stacking energy: -268.056
Base-Backbone interact. energy: -2.580
local terms energy: -321.538314
where:
bonds (distance) C4'-P energy: -60.599
bonds (distance) P-C4' energy: -73.633
flat angles C4'-P-C4' energy: -72.444
flat angles P-C4'-P energy: -53.286
tors. eta vs tors. theta energy: -61.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.140 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 104
Temperature: 1.250000
Total energy: -673.870399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -673.870399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -673.870399 (E_RNA)
where:
Base-Base interactions energy: -383.834
where: short stacking energy: -196.270
Base-Backbone interact. energy: -2.268
local terms energy: -288.778185
where:
bonds (distance) C4'-P energy: -64.428
bonds (distance) P-C4' energy: -78.645
flat angles C4'-P-C4' energy: -57.619
flat angles P-C4'-P energy: -49.617
tors. eta vs tors. theta energy: -38.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.010 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 104
Temperature: 1.300000
Total energy: -642.923720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -642.923720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -642.923720 (E_RNA)
where:
Base-Base interactions energy: -387.890
where: short stacking energy: -167.872
Base-Backbone interact. energy: -0.960
local terms energy: -254.074116
where:
bonds (distance) C4'-P energy: -71.084
bonds (distance) P-C4' energy: -67.636
flat angles C4'-P-C4' energy: -57.120
flat angles P-C4'-P energy: -45.322
tors. eta vs tors. theta energy: -12.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 104
Temperature: 1.350000
Total energy: -444.168850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.168850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.168850 (E_RNA)
where:
Base-Base interactions energy: -245.072
where: short stacking energy: -139.726
Base-Backbone interact. energy: 0.637
local terms energy: -199.733693
where:
bonds (distance) C4'-P energy: -61.045
bonds (distance) P-C4' energy: -72.037
flat angles C4'-P-C4' energy: -39.482
flat angles P-C4'-P energy: -38.392
tors. eta vs tors. theta energy: 11.222
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: 7
=====================================
Write number: 105
Temperature: 0.900000
Total energy: -1366.721578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1366.721578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1366.721578 (E_RNA)
where:
Base-Base interactions energy: -951.643
where: short stacking energy: -406.673
Base-Backbone interact. energy: -1.921
local terms energy: -413.156955
where:
bonds (distance) C4'-P energy: -64.143
bonds (distance) P-C4' energy: -85.908
flat angles C4'-P-C4' energy: -89.430
flat angles P-C4'-P energy: -68.769
tors. eta vs tors. theta energy: -104.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 105
Temperature: 0.950000
Total energy: -1308.909868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1308.909868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1308.909868 (E_RNA)
where:
Base-Base interactions energy: -886.340
where: short stacking energy: -380.609
Base-Backbone interact. energy: -0.452
local terms energy: -422.118610
where:
bonds (distance) C4'-P energy: -82.785
bonds (distance) P-C4' energy: -79.198
flat angles C4'-P-C4' energy: -84.630
flat angles P-C4'-P energy: -65.543
tors. eta vs tors. theta energy: -109.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 105
Temperature: 1.000000
Total energy: -1174.738938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1174.738938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1174.738938 (E_RNA)
where:
Base-Base interactions energy: -789.959
where: short stacking energy: -333.570
Base-Backbone interact. energy: -1.152
local terms energy: -383.627397
where:
bonds (distance) C4'-P energy: -85.787
bonds (distance) P-C4' energy: -70.340
flat angles C4'-P-C4' energy: -84.902
flat angles P-C4'-P energy: -52.875
tors. eta vs tors. theta energy: -89.724
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: 4, replica: 9
=====================================
Write number: 105
Temperature: 1.050000
Total energy: -1150.578780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1150.578780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1150.578780 (E_RNA)
where:
Base-Base interactions energy: -780.608
where: short stacking energy: -354.530
Base-Backbone interact. energy: -1.327
local terms energy: -368.643533
where:
bonds (distance) C4'-P energy: -72.322
bonds (distance) P-C4' energy: -61.093
flat angles C4'-P-C4' energy: -79.633
flat angles P-C4'-P energy: -60.117
tors. eta vs tors. theta energy: -95.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 105
Temperature: 1.100000
Total energy: -1008.010953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1008.010953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1008.010953 (E_RNA)
where:
Base-Base interactions energy: -662.686
where: short stacking energy: -290.256
Base-Backbone interact. energy: 3.586
local terms energy: -348.911440
where:
bonds (distance) C4'-P energy: -74.813
bonds (distance) P-C4' energy: -73.479
flat angles C4'-P-C4' energy: -73.453
flat angles P-C4'-P energy: -50.262
tors. eta vs tors. theta energy: -76.905
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: 1
=====================================
Write number: 105
Temperature: 1.150000
Total energy: -1009.807771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1009.807771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1009.807771 (E_RNA)
where:
Base-Base interactions energy: -699.791
where: short stacking energy: -314.163
Base-Backbone interact. energy: -2.508
local terms energy: -307.508450
where:
bonds (distance) C4'-P energy: -65.619
bonds (distance) P-C4' energy: -61.100
flat angles C4'-P-C4' energy: -73.522
flat angles P-C4'-P energy: -37.750
tors. eta vs tors. theta energy: -69.517
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: 8
=====================================
Write number: 105
Temperature: 1.200000
Total energy: -906.494485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -906.494485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -906.494485 (E_RNA)
where:
Base-Base interactions energy: -610.126
where: short stacking energy: -267.029
Base-Backbone interact. energy: 1.821
local terms energy: -298.189723
where:
bonds (distance) C4'-P energy: -65.239
bonds (distance) P-C4' energy: -59.797
flat angles C4'-P-C4' energy: -66.915
flat angles P-C4'-P energy: -43.825
tors. eta vs tors. theta energy: -62.413
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: 8, replica: 5
=====================================
Write number: 105
Temperature: 1.250000
Total energy: -644.303859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -644.303859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -644.303859 (E_RNA)
where:
Base-Base interactions energy: -372.155
where: short stacking energy: -203.721
Base-Backbone interact. energy: -1.928
local terms energy: -270.221268
where:
bonds (distance) C4'-P energy: -70.588
bonds (distance) P-C4' energy: -63.742
flat angles C4'-P-C4' energy: -66.401
flat angles P-C4'-P energy: -41.908
tors. eta vs tors. theta energy: -27.583
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: 6
=====================================
Write number: 105
Temperature: 1.300000
Total energy: -621.784075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -621.784075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -621.784075 (E_RNA)
where:
Base-Base interactions energy: -376.778
where: short stacking energy: -180.312
Base-Backbone interact. energy: -0.590
local terms energy: -244.415532
where:
bonds (distance) C4'-P energy: -66.173
bonds (distance) P-C4' energy: -62.070
flat angles C4'-P-C4' energy: -56.889
flat angles P-C4'-P energy: -42.009
tors. eta vs tors. theta energy: -17.275
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: 2
=====================================
Write number: 105
Temperature: 1.350000
Total energy: -471.932070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.932070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.932070 (E_RNA)
where:
Base-Base interactions energy: -270.092
where: short stacking energy: -162.824
Base-Backbone interact. energy: -0.750
local terms energy: -201.089815
where:
bonds (distance) C4'-P energy: -45.036
bonds (distance) P-C4' energy: -63.145
flat angles C4'-P-C4' energy: -54.033
flat angles P-C4'-P energy: -27.356
tors. eta vs tors. theta energy: -11.519
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: 7
=====================================
Write number: 106
Temperature: 0.900000
Total energy: -1389.126676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1389.126676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1389.126676 (E_RNA)
where:
Base-Base interactions energy: -969.334
where: short stacking energy: -417.255
Base-Backbone interact. energy: -0.202
local terms energy: -419.886393
where:
bonds (distance) C4'-P energy: -74.573
bonds (distance) P-C4' energy: -89.323
flat angles C4'-P-C4' energy: -85.311
flat angles P-C4'-P energy: -59.317
tors. eta vs tors. theta energy: -111.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.296 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 106
Temperature: 0.950000
Total energy: -1287.247460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1287.247460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1287.247460 (E_RNA)
where:
Base-Base interactions energy: -889.524
where: short stacking energy: -415.901
Base-Backbone interact. energy: -1.384
local terms energy: -396.338836
where:
bonds (distance) C4'-P energy: -72.449
bonds (distance) P-C4' energy: -73.714
flat angles C4'-P-C4' energy: -84.572
flat angles P-C4'-P energy: -47.990
tors. eta vs tors. theta energy: -117.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 106
Temperature: 1.000000
Total energy: -1169.691685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1169.691685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1169.691685 (E_RNA)
where:
Base-Base interactions energy: -794.391
where: short stacking energy: -356.660
Base-Backbone interact. energy: -1.148
local terms energy: -374.153058
where:
bonds (distance) C4'-P energy: -69.620
bonds (distance) P-C4' energy: -78.421
flat angles C4'-P-C4' energy: -85.254
flat angles P-C4'-P energy: -46.610
tors. eta vs tors. theta energy: -94.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 106
Temperature: 1.050000
Total energy: -1123.224857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1123.224857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1123.224857 (E_RNA)
where:
Base-Base interactions energy: -766.936
where: short stacking energy: -333.291
Base-Backbone interact. energy: -3.233
local terms energy: -353.534636
where:
bonds (distance) C4'-P energy: -75.512
bonds (distance) P-C4' energy: -67.697
flat angles C4'-P-C4' energy: -74.732
flat angles P-C4'-P energy: -53.574
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: 0.478 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 106
Temperature: 1.100000
Total energy: -1047.846194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1047.846194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1047.846194 (E_RNA)
where:
Base-Base interactions energy: -723.637
where: short stacking energy: -299.328
Base-Backbone interact. energy: -1.838
local terms energy: -322.371379
where:
bonds (distance) C4'-P energy: -66.903
bonds (distance) P-C4' energy: -60.865
flat angles C4'-P-C4' energy: -83.532
flat angles P-C4'-P energy: -36.004
tors. eta vs tors. theta energy: -75.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 106
Temperature: 1.150000
Total energy: -987.789621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -987.789621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -987.789621 (E_RNA)
where:
Base-Base interactions energy: -658.890
where: short stacking energy: -282.258
Base-Backbone interact. energy: 0.029
local terms energy: -328.928189
where:
bonds (distance) C4'-P energy: -66.168
bonds (distance) P-C4' energy: -66.106
flat angles C4'-P-C4' energy: -82.639
flat angles P-C4'-P energy: -50.785
tors. eta vs tors. theta energy: -63.230
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: 8
=====================================
Write number: 106
Temperature: 1.200000
Total energy: -953.657320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -953.657320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -953.657320 (E_RNA)
where:
Base-Base interactions energy: -651.900
where: short stacking energy: -278.397
Base-Backbone interact. energy: -1.953
local terms energy: -299.803954
where:
bonds (distance) C4'-P energy: -62.579
bonds (distance) P-C4' energy: -69.227
flat angles C4'-P-C4' energy: -67.914
flat angles P-C4'-P energy: -45.341
tors. eta vs tors. theta energy: -54.742
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: 8, replica: 5
=====================================
Write number: 106
Temperature: 1.250000
Total energy: -661.943095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -661.943095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -661.943095 (E_RNA)
where:
Base-Base interactions energy: -419.205
where: short stacking energy: -191.563
Base-Backbone interact. energy: -0.563
local terms energy: -242.174594
where:
bonds (distance) C4'-P energy: -48.597
bonds (distance) P-C4' energy: -67.666
flat angles C4'-P-C4' energy: -63.925
flat angles P-C4'-P energy: -29.879
tors. eta vs tors. theta energy: -32.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 106
Temperature: 1.300000
Total energy: -542.728457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.728457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.728457 (E_RNA)
where:
Base-Base interactions energy: -299.747
where: short stacking energy: -138.782
Base-Backbone interact. energy: 2.099
local terms energy: -245.470715
where:
bonds (distance) C4'-P energy: -67.714
bonds (distance) P-C4' energy: -73.283
flat angles C4'-P-C4' energy: -54.771
flat angles P-C4'-P energy: -44.147
tors. eta vs tors. theta energy: -5.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.391 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 106
Temperature: 1.350000
Total energy: -453.420146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.420146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.420146 (E_RNA)
where:
Base-Base interactions energy: -232.158
where: short stacking energy: -137.686
Base-Backbone interact. energy: 3.812
local terms energy: -225.073565
where:
bonds (distance) C4'-P energy: -61.583
bonds (distance) P-C4' energy: -69.097
flat angles C4'-P-C4' energy: -46.097
flat angles P-C4'-P energy: -29.150
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: 1, replica: 7
=====================================
Write number: 107
Temperature: 0.900000
Total energy: -1382.402761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1382.402761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1382.402761 (E_RNA)
where:
Base-Base interactions energy: -973.593
where: short stacking energy: -394.705
Base-Backbone interact. energy: -1.201
local terms energy: -407.607960
where:
bonds (distance) C4'-P energy: -68.623
bonds (distance) P-C4' energy: -80.885
flat angles C4'-P-C4' energy: -89.900
flat angles P-C4'-P energy: -52.194
tors. eta vs tors. theta energy: -116.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 107
Temperature: 0.950000
Total energy: -1283.135193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1283.135193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1283.135193 (E_RNA)
where:
Base-Base interactions energy: -867.365
where: short stacking energy: -387.067
Base-Backbone interact. energy: -0.600
local terms energy: -415.169923
where:
bonds (distance) C4'-P energy: -75.441
bonds (distance) P-C4' energy: -79.821
flat angles C4'-P-C4' energy: -86.887
flat angles P-C4'-P energy: -53.384
tors. eta vs tors. theta energy: -119.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 107
Temperature: 1.000000
Total energy: -1174.317309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1174.317309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1174.317309 (E_RNA)
where:
Base-Base interactions energy: -799.022
where: short stacking energy: -343.947
Base-Backbone interact. energy: -0.981
local terms energy: -374.314286
where:
bonds (distance) C4'-P energy: -71.754
bonds (distance) P-C4' energy: -73.949
flat angles C4'-P-C4' energy: -80.718
flat angles P-C4'-P energy: -57.664
tors. eta vs tors. theta energy: -90.230
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: 1
=====================================
Write number: 107
Temperature: 1.050000
Total energy: -1044.616663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1044.616663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1044.616663 (E_RNA)
where:
Base-Base interactions energy: -694.404
where: short stacking energy: -314.607
Base-Backbone interact. energy: -1.017
local terms energy: -349.194897
where:
bonds (distance) C4'-P energy: -68.174
bonds (distance) P-C4' energy: -70.471
flat angles C4'-P-C4' energy: -79.319
flat angles P-C4'-P energy: -48.986
tors. eta vs tors. theta energy: -82.246
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: 9
=====================================
Write number: 107
Temperature: 1.100000
Total energy: -1078.468898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1078.468898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1078.468898 (E_RNA)
where:
Base-Base interactions energy: -724.557
where: short stacking energy: -309.035
Base-Backbone interact. energy: -1.533
local terms energy: -353.019285
where:
bonds (distance) C4'-P energy: -80.599
bonds (distance) P-C4' energy: -59.079
flat angles C4'-P-C4' energy: -83.155
flat angles P-C4'-P energy: -42.689
tors. eta vs tors. theta energy: -87.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.640 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 107
Temperature: 1.150000
Total energy: -953.270507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -953.270507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -953.270507 (E_RNA)
where:
Base-Base interactions energy: -645.078
where: short stacking energy: -282.516
Base-Backbone interact. energy: -1.447
local terms energy: -306.746187
where:
bonds (distance) C4'-P energy: -52.307
bonds (distance) P-C4' energy: -66.997
flat angles C4'-P-C4' energy: -63.943
flat angles P-C4'-P energy: -53.500
tors. eta vs tors. theta energy: -69.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 107
Temperature: 1.200000
Total energy: -925.368045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -925.368045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -925.368045 (E_RNA)
where:
Base-Base interactions energy: -646.823
where: short stacking energy: -283.434
Base-Backbone interact. energy: -1.403
local terms energy: -277.141153
where:
bonds (distance) C4'-P energy: -53.466
bonds (distance) P-C4' energy: -57.789
flat angles C4'-P-C4' energy: -63.633
flat angles P-C4'-P energy: -43.617
tors. eta vs tors. theta energy: -58.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 107
Temperature: 1.250000
Total energy: -708.549013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -708.549013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -708.549013 (E_RNA)
where:
Base-Base interactions energy: -451.088
where: short stacking energy: -214.208
Base-Backbone interact. energy: -3.207
local terms energy: -254.253665
where:
bonds (distance) C4'-P energy: -59.100
bonds (distance) P-C4' energy: -58.471
flat angles C4'-P-C4' energy: -73.047
flat angles P-C4'-P energy: -33.601
tors. eta vs tors. theta energy: -30.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 107
Temperature: 1.300000
Total energy: -584.369785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -584.369785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -584.369785 (E_RNA)
where:
Base-Base interactions energy: -306.984
where: short stacking energy: -180.200
Base-Backbone interact. energy: -1.257
local terms energy: -276.128690
where:
bonds (distance) C4'-P energy: -66.744
bonds (distance) P-C4' energy: -76.092
flat angles C4'-P-C4' energy: -65.268
flat angles P-C4'-P energy: -45.560
tors. eta vs tors. theta energy: -22.465
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: 2
=====================================
Write number: 107
Temperature: 1.350000
Total energy: -459.056696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.056696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.056696 (E_RNA)
where:
Base-Base interactions energy: -231.365
where: short stacking energy: -120.011
Base-Backbone interact. energy: -0.031
local terms energy: -227.660255
where:
bonds (distance) C4'-P energy: -66.834
bonds (distance) P-C4' energy: -55.997
flat angles C4'-P-C4' energy: -72.305
flat angles P-C4'-P energy: -30.996
tors. eta vs tors. theta energy: -1.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 108
Temperature: 0.900000
Total energy: -1391.042436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1391.042436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1391.042436 (E_RNA)
where:
Base-Base interactions energy: -959.696
where: short stacking energy: -391.984
Base-Backbone interact. energy: -3.451
local terms energy: -427.895540
where:
bonds (distance) C4'-P energy: -83.891
bonds (distance) P-C4' energy: -81.031
flat angles C4'-P-C4' energy: -95.986
flat angles P-C4'-P energy: -50.898
tors. eta vs tors. theta energy: -116.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 108
Temperature: 0.950000
Total energy: -1281.184743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1281.184743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1281.184743 (E_RNA)
where:
Base-Base interactions energy: -877.077
where: short stacking energy: -386.184
Base-Backbone interact. energy: -0.665
local terms energy: -403.442323
where:
bonds (distance) C4'-P energy: -70.494
bonds (distance) P-C4' energy: -73.203
flat angles C4'-P-C4' energy: -88.609
flat angles P-C4'-P energy: -53.098
tors. eta vs tors. theta energy: -118.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 108
Temperature: 1.000000
Total energy: -1171.384861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1171.384861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1171.384861 (E_RNA)
where:
Base-Base interactions energy: -802.669
where: short stacking energy: -344.538
Base-Backbone interact. energy: -1.660
local terms energy: -367.055266
where:
bonds (distance) C4'-P energy: -73.463
bonds (distance) P-C4' energy: -67.644
flat angles C4'-P-C4' energy: -79.727
flat angles P-C4'-P energy: -53.056
tors. eta vs tors. theta energy: -93.166
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: 1
=====================================
Write number: 108
Temperature: 1.050000
Total energy: -1134.507354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1134.507354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1134.507354 (E_RNA)
where:
Base-Base interactions energy: -767.793
where: short stacking energy: -310.889
Base-Backbone interact. energy: -1.184
local terms energy: -365.530687
where:
bonds (distance) C4'-P energy: -70.421
bonds (distance) P-C4' energy: -69.643
flat angles C4'-P-C4' energy: -79.033
flat angles P-C4'-P energy: -60.288
tors. eta vs tors. theta energy: -86.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 108
Temperature: 1.100000
Total energy: -1058.928578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1058.928578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1058.928578 (E_RNA)
where:
Base-Base interactions energy: -721.424
where: short stacking energy: -321.735
Base-Backbone interact. energy: -2.663
local terms energy: -334.840985
where:
bonds (distance) C4'-P energy: -68.890
bonds (distance) P-C4' energy: -65.169
flat angles C4'-P-C4' energy: -67.961
flat angles P-C4'-P energy: -48.006
tors. eta vs tors. theta energy: -84.815
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: 6, replica: 8
=====================================
Write number: 108
Temperature: 1.150000
Total energy: -976.195178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -976.195178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -976.195178 (E_RNA)
where:
Base-Base interactions energy: -660.945
where: short stacking energy: -294.086
Base-Backbone interact. energy: -2.731
local terms energy: -312.519985
where:
bonds (distance) C4'-P energy: -65.068
bonds (distance) P-C4' energy: -75.335
flat angles C4'-P-C4' energy: -62.953
flat angles P-C4'-P energy: -39.923
tors. eta vs tors. theta energy: -69.242
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: 4
=====================================
Write number: 108
Temperature: 1.200000
Total energy: -837.846209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -837.846209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -837.846209 (E_RNA)
where:
Base-Base interactions energy: -550.932
where: short stacking energy: -237.143
Base-Backbone interact. energy: 0.403
local terms energy: -287.317558
where:
bonds (distance) C4'-P energy: -58.001
bonds (distance) P-C4' energy: -66.661
flat angles C4'-P-C4' energy: -70.067
flat angles P-C4'-P energy: -38.991
tors. eta vs tors. theta energy: -53.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 108
Temperature: 1.250000
Total energy: -764.539382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -764.539382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -764.539382 (E_RNA)
where:
Base-Base interactions energy: -489.393
where: short stacking energy: -208.805
Base-Backbone interact. energy: -0.968
local terms energy: -274.178723
where:
bonds (distance) C4'-P energy: -64.507
bonds (distance) P-C4' energy: -70.255
flat angles C4'-P-C4' energy: -74.270
flat angles P-C4'-P energy: -34.248
tors. eta vs tors. theta energy: -30.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 108
Temperature: 1.300000
Total energy: -572.309102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -572.309102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -572.309102 (E_RNA)
where:
Base-Base interactions energy: -339.816
where: short stacking energy: -178.870
Base-Backbone interact. energy: 1.360
local terms energy: -233.853283
where:
bonds (distance) C4'-P energy: -62.281
bonds (distance) P-C4' energy: -65.029
flat angles C4'-P-C4' energy: -61.850
flat angles P-C4'-P energy: -30.543
tors. eta vs tors. theta energy: -14.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 108
Temperature: 1.350000
Total energy: -451.504963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.504963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.504963 (E_RNA)
where:
Base-Base interactions energy: -231.697
where: short stacking energy: -130.677
Base-Backbone interact. energy: -0.686
local terms energy: -219.122117
where:
bonds (distance) C4'-P energy: -54.303
bonds (distance) P-C4' energy: -69.544
flat angles C4'-P-C4' energy: -66.844
flat angles P-C4'-P energy: -24.636
tors. eta vs tors. theta energy: -3.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 109
Temperature: 0.900000
Total energy: -1378.711491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1378.711491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1378.711491 (E_RNA)
where:
Base-Base interactions energy: -964.077
where: short stacking energy: -391.353
Base-Backbone interact. energy: -1.644
local terms energy: -412.990225
where:
bonds (distance) C4'-P energy: -74.614
bonds (distance) P-C4' energy: -82.675
flat angles C4'-P-C4' energy: -80.572
flat angles P-C4'-P energy: -61.893
tors. eta vs tors. theta energy: -113.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 109
Temperature: 0.950000
Total energy: -1298.717462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1298.717462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1298.717462 (E_RNA)
where:
Base-Base interactions energy: -873.052
where: short stacking energy: -388.606
Base-Backbone interact. energy: -0.786
local terms energy: -424.880120
where:
bonds (distance) C4'-P energy: -77.552
bonds (distance) P-C4' energy: -83.465
flat angles C4'-P-C4' energy: -86.201
flat angles P-C4'-P energy: -63.155
tors. eta vs tors. theta energy: -114.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 109
Temperature: 1.000000
Total energy: -1177.348626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1177.348626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1177.348626 (E_RNA)
where:
Base-Base interactions energy: -785.713
where: short stacking energy: -368.036
Base-Backbone interact. energy: 0.129
local terms energy: -391.765363
where:
bonds (distance) C4'-P energy: -65.016
bonds (distance) P-C4' energy: -77.110
flat angles C4'-P-C4' energy: -79.386
flat angles P-C4'-P energy: -62.999
tors. eta vs tors. theta energy: -107.254
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: 1
=====================================
Write number: 109
Temperature: 1.050000
Total energy: -1128.070329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1128.070329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1128.070329 (E_RNA)
where:
Base-Base interactions energy: -760.397
where: short stacking energy: -328.996
Base-Backbone interact. energy: -2.625
local terms energy: -365.048407
where:
bonds (distance) C4'-P energy: -73.247
bonds (distance) P-C4' energy: -73.155
flat angles C4'-P-C4' energy: -78.992
flat angles P-C4'-P energy: -50.483
tors. eta vs tors. theta energy: -89.171
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: 9
=====================================
Write number: 109
Temperature: 1.100000
Total energy: -1075.284557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1075.284557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1075.284557 (E_RNA)
where:
Base-Base interactions energy: -720.434
where: short stacking energy: -313.465
Base-Backbone interact. energy: -0.221
local terms energy: -355.013515
where:
bonds (distance) C4'-P energy: -69.717
bonds (distance) P-C4' energy: -65.778
flat angles C4'-P-C4' energy: -79.276
flat angles P-C4'-P energy: -55.540
tors. eta vs tors. theta energy: -84.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.384 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 109
Temperature: 1.150000
Total energy: -986.646504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -986.646504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -986.646504 (E_RNA)
where:
Base-Base interactions energy: -644.195
where: short stacking energy: -273.337
Base-Backbone interact. energy: -2.365
local terms energy: -340.086125
where:
bonds (distance) C4'-P energy: -77.401
bonds (distance) P-C4' energy: -62.938
flat angles C4'-P-C4' energy: -85.621
flat angles P-C4'-P energy: -51.036
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: 7, replica: 4
=====================================
Write number: 109
Temperature: 1.200000
Total energy: -798.815206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -798.815206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -798.815206 (E_RNA)
where:
Base-Base interactions energy: -512.048
where: short stacking energy: -217.466
Base-Backbone interact. energy: -0.662
local terms energy: -286.105244
where:
bonds (distance) C4'-P energy: -68.456
bonds (distance) P-C4' energy: -73.831
flat angles C4'-P-C4' energy: -64.903
flat angles P-C4'-P energy: -50.606
tors. eta vs tors. theta energy: -28.309
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: 5
=====================================
Write number: 109
Temperature: 1.250000
Total energy: -815.894018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -815.894018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -815.894018 (E_RNA)
where:
Base-Base interactions energy: -531.120
where: short stacking energy: -245.343
Base-Backbone interact. energy: -2.336
local terms energy: -282.438079
where:
bonds (distance) C4'-P energy: -67.824
bonds (distance) P-C4' energy: -60.433
flat angles C4'-P-C4' energy: -68.138
flat angles P-C4'-P energy: -27.388
tors. eta vs tors. theta energy: -58.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 109
Temperature: 1.300000
Total energy: -552.593484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.593484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.593484 (E_RNA)
where:
Base-Base interactions energy: -312.230
where: short stacking energy: -149.093
Base-Backbone interact. energy: -1.847
local terms energy: -238.516400
where:
bonds (distance) C4'-P energy: -67.123
bonds (distance) P-C4' energy: -64.840
flat angles C4'-P-C4' energy: -57.666
flat angles P-C4'-P energy: -33.538
tors. eta vs tors. theta energy: -15.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 109
Temperature: 1.350000
Total energy: -494.274443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.274443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.274443 (E_RNA)
where:
Base-Base interactions energy: -271.191
where: short stacking energy: -145.551
Base-Backbone interact. energy: -1.395
local terms energy: -221.688106
where:
bonds (distance) C4'-P energy: -52.010
bonds (distance) P-C4' energy: -68.661
flat angles C4'-P-C4' energy: -58.695
flat angles P-C4'-P energy: -31.798
tors. eta vs tors. theta energy: -10.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 110
Temperature: 0.900000
Total energy: -1374.103615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1374.103615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1374.103615 (E_RNA)
where:
Base-Base interactions energy: -950.071
where: short stacking energy: -407.326
Base-Backbone interact. energy: -0.514
local terms energy: -423.518760
where:
bonds (distance) C4'-P energy: -78.581
bonds (distance) P-C4' energy: -84.669
flat angles C4'-P-C4' energy: -87.701
flat angles P-C4'-P energy: -51.629
tors. eta vs tors. theta energy: -120.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 110
Temperature: 0.950000
Total energy: -1288.884904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1288.884904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1288.884904 (E_RNA)
where:
Base-Base interactions energy: -862.796
where: short stacking energy: -384.480
Base-Backbone interact. energy: -0.877
local terms energy: -425.211737
where:
bonds (distance) C4'-P energy: -75.838
bonds (distance) P-C4' energy: -83.678
flat angles C4'-P-C4' energy: -90.236
flat angles P-C4'-P energy: -54.423
tors. eta vs tors. theta energy: -121.037
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: 110
Temperature: 1.000000
Total energy: -1160.137867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1160.137867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1160.137867 (E_RNA)
where:
Base-Base interactions energy: -797.300
where: short stacking energy: -350.932
Base-Backbone interact. energy: -2.885
local terms energy: -359.953358
where:
bonds (distance) C4'-P energy: -67.811
bonds (distance) P-C4' energy: -63.962
flat angles C4'-P-C4' energy: -81.350
flat angles P-C4'-P energy: -59.376
tors. eta vs tors. theta energy: -87.455
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: 1
=====================================
Write number: 110
Temperature: 1.050000
Total energy: -1136.763129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1136.763129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1136.763129 (E_RNA)
where:
Base-Base interactions energy: -785.013
where: short stacking energy: -337.925
Base-Backbone interact. energy: 0.285
local terms energy: -352.034711
where:
bonds (distance) C4'-P energy: -76.529
bonds (distance) P-C4' energy: -73.147
flat angles C4'-P-C4' energy: -76.322
flat angles P-C4'-P energy: -45.623
tors. eta vs tors. theta energy: -80.413
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: 5, replica: 9
=====================================
Write number: 110
Temperature: 1.100000
Total energy: -1134.777066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1134.777066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1134.777066 (E_RNA)
where:
Base-Base interactions energy: -775.081
where: short stacking energy: -319.159
Base-Backbone interact. energy: -1.436
local terms energy: -358.260081
where:
bonds (distance) C4'-P energy: -63.022
bonds (distance) P-C4' energy: -73.673
flat angles C4'-P-C4' energy: -83.216
flat angles P-C4'-P energy: -47.253
tors. eta vs tors. theta energy: -91.096
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: 8
=====================================
Write number: 110
Temperature: 1.150000
Total energy: -1023.405892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1023.405892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1023.405892 (E_RNA)
where:
Base-Base interactions energy: -686.461
where: short stacking energy: -308.988
Base-Backbone interact. energy: 1.157
local terms energy: -338.102588
where:
bonds (distance) C4'-P energy: -63.072
bonds (distance) P-C4' energy: -71.521
flat angles C4'-P-C4' energy: -76.853
flat angles P-C4'-P energy: -50.204
tors. eta vs tors. theta energy: -76.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 110
Temperature: 1.200000
Total energy: -832.458976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -832.458976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -832.458976 (E_RNA)
where:
Base-Base interactions energy: -547.462
where: short stacking energy: -248.818
Base-Backbone interact. energy: -1.593
local terms energy: -283.403858
where:
bonds (distance) C4'-P energy: -48.570
bonds (distance) P-C4' energy: -66.762
flat angles C4'-P-C4' energy: -61.541
flat angles P-C4'-P energy: -46.526
tors. eta vs tors. theta energy: -60.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 110
Temperature: 1.250000
Total energy: -805.517020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -805.517020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -805.517020 (E_RNA)
where:
Base-Base interactions energy: -533.129
where: short stacking energy: -216.249
Base-Backbone interact. energy: -4.397
local terms energy: -267.991096
where:
bonds (distance) C4'-P energy: -64.121
bonds (distance) P-C4' energy: -54.975
flat angles C4'-P-C4' energy: -75.407
flat angles P-C4'-P energy: -38.208
tors. eta vs tors. theta energy: -35.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 110
Temperature: 1.300000
Total energy: -568.515125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -568.515125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -568.515125 (E_RNA)
where:
Base-Base interactions energy: -340.680
where: short stacking energy: -157.569
Base-Backbone interact. energy: 1.353
local terms energy: -229.187890
where:
bonds (distance) C4'-P energy: -62.098
bonds (distance) P-C4' energy: -74.266
flat angles C4'-P-C4' energy: -58.902
flat angles P-C4'-P energy: -26.939
tors. eta vs tors. theta energy: -6.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 110
Temperature: 1.350000
Total energy: -450.050709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.050709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.050709 (E_RNA)
where:
Base-Base interactions energy: -243.300
where: short stacking energy: -130.473
Base-Backbone interact. energy: 0.480
local terms energy: -207.231359
where:
bonds (distance) C4'-P energy: -53.180
bonds (distance) P-C4' energy: -65.816
flat angles C4'-P-C4' energy: -57.713
flat angles P-C4'-P energy: -24.789
tors. eta vs tors. theta energy: -5.734
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: 7
=====================================
Write number: 111
Temperature: 0.900000
Total energy: -1391.474430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1391.474430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1391.474430 (E_RNA)
where:
Base-Base interactions energy: -946.944
where: short stacking energy: -399.070
Base-Backbone interact. energy: -1.536
local terms energy: -442.994669
where:
bonds (distance) C4'-P energy: -89.022
bonds (distance) P-C4' energy: -82.110
flat angles C4'-P-C4' energy: -89.203
flat angles P-C4'-P energy: -66.119
tors. eta vs tors. theta energy: -116.541
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: 2, replica: 3
=====================================
Write number: 111
Temperature: 0.950000
Total energy: -1328.863442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1328.863442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1328.863442 (E_RNA)
where:
Base-Base interactions energy: -934.274
where: short stacking energy: -395.336
Base-Backbone interact. energy: -0.996
local terms energy: -393.593461
where:
bonds (distance) C4'-P energy: -71.459
bonds (distance) P-C4' energy: -67.639
flat angles C4'-P-C4' energy: -86.316
flat angles P-C4'-P energy: -54.091
tors. eta vs tors. theta energy: -114.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 111
Temperature: 1.000000
Total energy: -1136.723097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1136.723097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1136.723097 (E_RNA)
where:
Base-Base interactions energy: -773.021
where: short stacking energy: -322.330
Base-Backbone interact. energy: -1.640
local terms energy: -362.061804
where:
bonds (distance) C4'-P energy: -73.021
bonds (distance) P-C4' energy: -71.752
flat angles C4'-P-C4' energy: -85.996
flat angles P-C4'-P energy: -49.439
tors. eta vs tors. theta energy: -81.854
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: 4, replica: 9
=====================================
Write number: 111
Temperature: 1.050000
Total energy: -1210.694813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1210.694813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1210.694813 (E_RNA)
where:
Base-Base interactions energy: -832.422
where: short stacking energy: -357.961
Base-Backbone interact. energy: -1.725
local terms energy: -376.547503
where:
bonds (distance) C4'-P energy: -62.587
bonds (distance) P-C4' energy: -62.809
flat angles C4'-P-C4' energy: -78.931
flat angles P-C4'-P energy: -59.557
tors. eta vs tors. theta energy: -112.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 111
Temperature: 1.100000
Total energy: -1114.516971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1114.516971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1114.516971 (E_RNA)
where:
Base-Base interactions energy: -755.142
where: short stacking energy: -327.727
Base-Backbone interact. energy: -1.110
local terms energy: -358.809177
where:
bonds (distance) C4'-P energy: -66.540
bonds (distance) P-C4' energy: -59.742
flat angles C4'-P-C4' energy: -82.606
flat angles P-C4'-P energy: -54.809
tors. eta vs tors. theta energy: -95.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.544 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 111
Temperature: 1.150000
Total energy: -1024.802420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1024.802420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1024.802420 (E_RNA)
where:
Base-Base interactions energy: -682.132
where: short stacking energy: -304.867
Base-Backbone interact. energy: -0.538
local terms energy: -342.132250
where:
bonds (distance) C4'-P energy: -62.847
bonds (distance) P-C4' energy: -66.480
flat angles C4'-P-C4' energy: -83.906
flat angles P-C4'-P energy: -42.592
tors. eta vs tors. theta energy: -86.307
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: 5
=====================================
Write number: 111
Temperature: 1.200000
Total energy: -854.435192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -854.435192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -854.435192 (E_RNA)
where:
Base-Base interactions energy: -550.401
where: short stacking energy: -274.067
Base-Backbone interact. energy: 1.716
local terms energy: -305.750003
where:
bonds (distance) C4'-P energy: -68.695
bonds (distance) P-C4' energy: -59.411
flat angles C4'-P-C4' energy: -75.645
flat angles P-C4'-P energy: -39.184
tors. eta vs tors. theta energy: -62.814
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: 4
=====================================
Write number: 111
Temperature: 1.250000
Total energy: -807.692448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -807.692448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -807.692448 (E_RNA)
where:
Base-Base interactions energy: -538.556
where: short stacking energy: -215.913
Base-Backbone interact. energy: -1.326
local terms energy: -267.809998
where:
bonds (distance) C4'-P energy: -54.431
bonds (distance) P-C4' energy: -65.658
flat angles C4'-P-C4' energy: -54.408
flat angles P-C4'-P energy: -47.648
tors. eta vs tors. theta energy: -45.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 111
Temperature: 1.300000
Total energy: -549.127302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.127302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.127302 (E_RNA)
where:
Base-Base interactions energy: -300.259
where: short stacking energy: -158.839
Base-Backbone interact. energy: 1.096
local terms energy: -249.963703
where:
bonds (distance) C4'-P energy: -70.675
bonds (distance) P-C4' energy: -71.652
flat angles C4'-P-C4' energy: -67.515
flat angles P-C4'-P energy: -19.306
tors. eta vs tors. theta energy: -20.815
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: 2
=====================================
Write number: 111
Temperature: 1.350000
Total energy: -402.216448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.216448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.216448 (E_RNA)
where:
Base-Base interactions energy: -198.305
where: short stacking energy: -98.098
Base-Backbone interact. energy: 0.813
local terms energy: -204.724515
where:
bonds (distance) C4'-P energy: -52.749
bonds (distance) P-C4' energy: -71.308
flat angles C4'-P-C4' energy: -59.513
flat angles P-C4'-P energy: -37.455
tors. eta vs tors. theta energy: 16.299
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: 1, replica: 7
=====================================
Write number: 112
Temperature: 0.900000
Total energy: -1386.508828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1386.508828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1386.508828 (E_RNA)
where:
Base-Base interactions energy: -952.988
where: short stacking energy: -416.847
Base-Backbone interact. energy: -1.459
local terms energy: -432.061320
where:
bonds (distance) C4'-P energy: -80.650
bonds (distance) P-C4' energy: -73.702
flat angles C4'-P-C4' energy: -93.074
flat angles P-C4'-P energy: -63.662
tors. eta vs tors. theta energy: -120.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 112
Temperature: 0.950000
Total energy: -1312.491787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1312.491787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1312.491787 (E_RNA)
where:
Base-Base interactions energy: -888.795
where: short stacking energy: -388.000
Base-Backbone interact. energy: -1.903
local terms energy: -421.793576
where:
bonds (distance) C4'-P energy: -78.834
bonds (distance) P-C4' energy: -83.750
flat angles C4'-P-C4' energy: -82.872
flat angles P-C4'-P energy: -57.170
tors. eta vs tors. theta energy: -119.168
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: 3, replica: 9
=====================================
Write number: 112
Temperature: 1.000000
Total energy: -1228.256443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1228.256443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1228.256443 (E_RNA)
where:
Base-Base interactions energy: -840.529
where: short stacking energy: -370.619
Base-Backbone interact. energy: -1.508
local terms energy: -386.699715
where:
bonds (distance) C4'-P energy: -69.602
bonds (distance) P-C4' energy: -71.968
flat angles C4'-P-C4' energy: -80.752
flat angles P-C4'-P energy: -57.506
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: 0.480 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 112
Temperature: 1.050000
Total energy: -1121.034919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1121.034919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1121.034919 (E_RNA)
where:
Base-Base interactions energy: -762.356
where: short stacking energy: -323.204
Base-Backbone interact. energy: -1.858
local terms energy: -356.821364
where:
bonds (distance) C4'-P energy: -70.986
bonds (distance) P-C4' energy: -65.440
flat angles C4'-P-C4' energy: -86.336
flat angles P-C4'-P energy: -51.681
tors. eta vs tors. theta energy: -82.377
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: 5, replica: 1
=====================================
Write number: 112
Temperature: 1.100000
Total energy: -1081.376604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1081.376604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1081.376604 (E_RNA)
where:
Base-Base interactions energy: -727.838
where: short stacking energy: -329.392
Base-Backbone interact. energy: 4.467
local terms energy: -358.005851
where:
bonds (distance) C4'-P energy: -67.403
bonds (distance) P-C4' energy: -70.002
flat angles C4'-P-C4' energy: -84.275
flat angles P-C4'-P energy: -41.560
tors. eta vs tors. theta energy: -94.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 112
Temperature: 1.150000
Total energy: -1049.118893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1049.118893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1049.118893 (E_RNA)
where:
Base-Base interactions energy: -719.785
where: short stacking energy: -309.755
Base-Backbone interact. energy: 1.187
local terms energy: -330.521267
where:
bonds (distance) C4'-P energy: -61.860
bonds (distance) P-C4' energy: -62.506
flat angles C4'-P-C4' energy: -73.677
flat angles P-C4'-P energy: -58.435
tors. eta vs tors. theta energy: -74.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 112
Temperature: 1.200000
Total energy: -919.923917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -919.923917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -919.923917 (E_RNA)
where:
Base-Base interactions energy: -608.147
where: short stacking energy: -260.713
Base-Backbone interact. energy: 7.451
local terms energy: -319.227909
where:
bonds (distance) C4'-P energy: -58.280
bonds (distance) P-C4' energy: -65.228
flat angles C4'-P-C4' energy: -81.604
flat angles P-C4'-P energy: -48.168
tors. eta vs tors. theta energy: -65.948
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: 4
=====================================
Write number: 112
Temperature: 1.250000
Total energy: -770.523442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -770.523442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -770.523442 (E_RNA)
where:
Base-Base interactions energy: -489.848
where: short stacking energy: -218.257
Base-Backbone interact. energy: -2.292
local terms energy: -278.383032
where:
bonds (distance) C4'-P energy: -81.702
bonds (distance) P-C4' energy: -64.271
flat angles C4'-P-C4' energy: -57.915
flat angles P-C4'-P energy: -34.000
tors. eta vs tors. theta energy: -40.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 112
Temperature: 1.300000
Total energy: -550.590534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.590534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.590534 (E_RNA)
where:
Base-Base interactions energy: -321.749
where: short stacking energy: -179.137
Base-Backbone interact. energy: 1.263
local terms energy: -230.104375
where:
bonds (distance) C4'-P energy: -59.267
bonds (distance) P-C4' energy: -52.891
flat angles C4'-P-C4' energy: -68.817
flat angles P-C4'-P energy: -30.881
tors. eta vs tors. theta energy: -18.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 112
Temperature: 1.350000
Total energy: -407.540671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.540671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.540671 (E_RNA)
where:
Base-Base interactions energy: -184.333
where: short stacking energy: -114.811
Base-Backbone interact. energy: 4.482
local terms energy: -227.689787
where:
bonds (distance) C4'-P energy: -63.728
bonds (distance) P-C4' energy: -72.487
flat angles C4'-P-C4' energy: -37.373
flat angles P-C4'-P energy: -48.547
tors. eta vs tors. theta energy: -5.555
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: 1, replica: 7
=====================================
Write number: 113
Temperature: 0.900000
Total energy: -1383.559866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1383.559866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1383.559866 (E_RNA)
where:
Base-Base interactions energy: -953.321
where: short stacking energy: -415.872
Base-Backbone interact. energy: 2.422
local terms energy: -432.660990
where:
bonds (distance) C4'-P energy: -83.054
bonds (distance) P-C4' energy: -72.938
flat angles C4'-P-C4' energy: -90.342
flat angles P-C4'-P energy: -66.367
tors. eta vs tors. theta energy: -119.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 113
Temperature: 0.950000
Total energy: -1301.877047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1301.877047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1301.877047 (E_RNA)
where:
Base-Base interactions energy: -879.677
where: short stacking energy: -377.949
Base-Backbone interact. energy: -0.636
local terms energy: -421.563525
where:
bonds (distance) C4'-P energy: -78.591
bonds (distance) P-C4' energy: -87.291
flat angles C4'-P-C4' energy: -80.432
flat angles P-C4'-P energy: -55.886
tors. eta vs tors. theta energy: -119.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 113
Temperature: 1.000000
Total energy: -1222.711644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1222.711644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1222.711644 (E_RNA)
where:
Base-Base interactions energy: -851.668
where: short stacking energy: -345.914
Base-Backbone interact. energy: -2.111
local terms energy: -368.931813
where:
bonds (distance) C4'-P energy: -70.754
bonds (distance) P-C4' energy: -74.575
flat angles C4'-P-C4' energy: -79.182
flat angles P-C4'-P energy: -53.060
tors. eta vs tors. theta energy: -91.361
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: 4, replica: 1
=====================================
Write number: 113
Temperature: 1.050000
Total energy: -1112.198332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1112.198332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1112.198332 (E_RNA)
where:
Base-Base interactions energy: -747.167
where: short stacking energy: -318.321
Base-Backbone interact. energy: -0.330
local terms energy: -364.701444
where:
bonds (distance) C4'-P energy: -69.678
bonds (distance) P-C4' energy: -68.135
flat angles C4'-P-C4' energy: -85.486
flat angles P-C4'-P energy: -58.537
tors. eta vs tors. theta energy: -82.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 113
Temperature: 1.100000
Total energy: -1067.302034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1067.302034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1067.302034 (E_RNA)
where:
Base-Base interactions energy: -741.352
where: short stacking energy: -315.245
Base-Backbone interact. energy: 1.899
local terms energy: -327.848754
where:
bonds (distance) C4'-P energy: -62.049
bonds (distance) P-C4' energy: -70.970
flat angles C4'-P-C4' energy: -72.980
flat angles P-C4'-P energy: -43.856
tors. eta vs tors. theta energy: -77.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 113
Temperature: 1.150000
Total energy: -1037.609592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1037.609592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1037.609592 (E_RNA)
where:
Base-Base interactions energy: -697.274
where: short stacking energy: -314.132
Base-Backbone interact. energy: -2.967
local terms energy: -337.369013
where:
bonds (distance) C4'-P energy: -61.623
bonds (distance) P-C4' energy: -70.651
flat angles C4'-P-C4' energy: -66.773
flat angles P-C4'-P energy: -49.476
tors. eta vs tors. theta energy: -88.845
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: 5
=====================================
Write number: 113
Temperature: 1.200000
Total energy: -855.459307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -855.459307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -855.459307 (E_RNA)
where:
Base-Base interactions energy: -541.972
where: short stacking energy: -248.234
Base-Backbone interact. energy: -2.464
local terms energy: -311.023675
where:
bonds (distance) C4'-P energy: -67.691
bonds (distance) P-C4' energy: -74.020
flat angles C4'-P-C4' energy: -66.445
flat angles P-C4'-P energy: -45.758
tors. eta vs tors. theta energy: -57.110
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: 4
=====================================
Write number: 113
Temperature: 1.250000
Total energy: -818.541442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -818.541442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -818.541442 (E_RNA)
where:
Base-Base interactions energy: -554.221
where: short stacking energy: -250.725
Base-Backbone interact. energy: -0.742
local terms energy: -263.578433
where:
bonds (distance) C4'-P energy: -47.374
bonds (distance) P-C4' energy: -61.166
flat angles C4'-P-C4' energy: -64.682
flat angles P-C4'-P energy: -35.916
tors. eta vs tors. theta energy: -54.440
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: 9, replica: 6
=====================================
Write number: 113
Temperature: 1.300000
Total energy: -542.898991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.898991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.898991 (E_RNA)
where:
Base-Base interactions energy: -310.537
where: short stacking energy: -154.694
Base-Backbone interact. energy: 2.240
local terms energy: -234.601595
where:
bonds (distance) C4'-P energy: -70.255
bonds (distance) P-C4' energy: -63.849
flat angles C4'-P-C4' energy: -68.975
flat angles P-C4'-P energy: -21.698
tors. eta vs tors. theta energy: -9.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 113
Temperature: 1.350000
Total energy: -405.547240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.547240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.547240 (E_RNA)
where:
Base-Base interactions energy: -192.022
where: short stacking energy: -134.997
Base-Backbone interact. energy: 6.719
local terms energy: -220.243636
where:
bonds (distance) C4'-P energy: -61.627
bonds (distance) P-C4' energy: -64.473
flat angles C4'-P-C4' energy: -63.276
flat angles P-C4'-P energy: -31.234
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: 7
=====================================
Write number: 114
Temperature: 0.900000
Total energy: -1393.511597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1393.511597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1393.511597 (E_RNA)
where:
Base-Base interactions energy: -967.288
where: short stacking energy: -406.103
Base-Backbone interact. energy: -2.007
local terms energy: -424.216786
where:
bonds (distance) C4'-P energy: -78.742
bonds (distance) P-C4' energy: -91.029
flat angles C4'-P-C4' energy: -81.584
flat angles P-C4'-P energy: -56.094
tors. eta vs tors. theta energy: -116.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 114
Temperature: 0.950000
Total energy: -1301.531858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1301.531858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1301.531858 (E_RNA)
where:
Base-Base interactions energy: -886.008
where: short stacking energy: -398.432
Base-Backbone interact. energy: -1.210
local terms energy: -414.313644
where:
bonds (distance) C4'-P energy: -79.072
bonds (distance) P-C4' energy: -63.578
flat angles C4'-P-C4' energy: -91.454
flat angles P-C4'-P energy: -51.571
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: 3, replica: 9
=====================================
Write number: 114
Temperature: 1.000000
Total energy: -1227.259767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1227.259767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1227.259767 (E_RNA)
where:
Base-Base interactions energy: -856.710
where: short stacking energy: -362.216
Base-Backbone interact. energy: -0.556
local terms energy: -369.993701
where:
bonds (distance) C4'-P energy: -71.775
bonds (distance) P-C4' energy: -78.428
flat angles C4'-P-C4' energy: -77.950
flat angles P-C4'-P energy: -46.848
tors. eta vs tors. theta energy: -94.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 114
Temperature: 1.050000
Total energy: -1115.005795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1115.005795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1115.005795 (E_RNA)
where:
Base-Base interactions energy: -761.464
where: short stacking energy: -359.991
Base-Backbone interact. energy: -1.801
local terms energy: -351.740673
where:
bonds (distance) C4'-P energy: -71.764
bonds (distance) P-C4' energy: -66.738
flat angles C4'-P-C4' energy: -74.603
flat angles P-C4'-P energy: -37.795
tors. eta vs tors. theta energy: -100.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 114
Temperature: 1.100000
Total energy: -1069.143847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1069.143847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1069.143847 (E_RNA)
where:
Base-Base interactions energy: -728.594
where: short stacking energy: -300.276
Base-Backbone interact. energy: -1.209
local terms energy: -339.340982
where:
bonds (distance) C4'-P energy: -79.254
bonds (distance) P-C4' energy: -68.495
flat angles C4'-P-C4' energy: -81.189
flat angles P-C4'-P energy: -37.112
tors. eta vs tors. theta energy: -73.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 114
Temperature: 1.150000
Total energy: -1031.145208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1031.145208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1031.145208 (E_RNA)
where:
Base-Base interactions energy: -682.047
where: short stacking energy: -298.316
Base-Backbone interact. energy: -1.028
local terms energy: -348.070130
where:
bonds (distance) C4'-P energy: -70.927
bonds (distance) P-C4' energy: -73.421
flat angles C4'-P-C4' energy: -73.622
flat angles P-C4'-P energy: -53.158
tors. eta vs tors. theta energy: -76.942
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: 5
=====================================
Write number: 114
Temperature: 1.200000
Total energy: -808.258440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -808.258440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -808.258440 (E_RNA)
where:
Base-Base interactions energy: -536.411
where: short stacking energy: -227.956
Base-Backbone interact. energy: 2.460
local terms energy: -274.307296
where:
bonds (distance) C4'-P energy: -56.091
bonds (distance) P-C4' energy: -62.940
flat angles C4'-P-C4' energy: -66.223
flat angles P-C4'-P energy: -37.316
tors. eta vs tors. theta energy: -51.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 114
Temperature: 1.250000
Total energy: -776.295538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -776.295538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -776.295538 (E_RNA)
where:
Base-Base interactions energy: -506.620
where: short stacking energy: -203.689
Base-Backbone interact. energy: -4.188
local terms energy: -265.488022
where:
bonds (distance) C4'-P energy: -58.889
bonds (distance) P-C4' energy: -64.605
flat angles C4'-P-C4' energy: -74.178
flat angles P-C4'-P energy: -40.078
tors. eta vs tors. theta energy: -27.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 114
Temperature: 1.300000
Total energy: -541.756908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.756908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.756908 (E_RNA)
where:
Base-Base interactions energy: -294.121
where: short stacking energy: -134.675
Base-Backbone interact. energy: 2.237
local terms energy: -249.872352
where:
bonds (distance) C4'-P energy: -67.883
bonds (distance) P-C4' energy: -60.453
flat angles C4'-P-C4' energy: -55.688
flat angles P-C4'-P energy: -51.322
tors. eta vs tors. theta energy: -14.527
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: 2
=====================================
Write number: 114
Temperature: 1.350000
Total energy: -398.586177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.586177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.586177 (E_RNA)
where:
Base-Base interactions energy: -195.640
where: short stacking energy: -120.263
Base-Backbone interact. energy: -2.317
local terms energy: -200.629584
where:
bonds (distance) C4'-P energy: -45.877
bonds (distance) P-C4' energy: -63.185
flat angles C4'-P-C4' energy: -60.414
flat angles P-C4'-P energy: -31.369
tors. eta vs tors. theta energy: 0.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 115
Temperature: 0.900000
Total energy: -1408.969595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1408.969595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1408.969595 (E_RNA)
where:
Base-Base interactions energy: -975.184
where: short stacking energy: -418.476
Base-Backbone interact. energy: -1.885
local terms energy: -431.900488
where:
bonds (distance) C4'-P energy: -86.217
bonds (distance) P-C4' energy: -83.094
flat angles C4'-P-C4' energy: -82.403
flat angles P-C4'-P energy: -64.797
tors. eta vs tors. theta energy: -115.390
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: 115
Temperature: 0.950000
Total energy: -1333.484490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1333.484490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1333.484490 (E_RNA)
where:
Base-Base interactions energy: -917.000
where: short stacking energy: -398.070
Base-Backbone interact. energy: -1.194
local terms energy: -415.290460
where:
bonds (distance) C4'-P energy: -75.667
bonds (distance) P-C4' energy: -74.086
flat angles C4'-P-C4' energy: -84.538
flat angles P-C4'-P energy: -54.177
tors. eta vs tors. theta energy: -126.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 115
Temperature: 1.000000
Total energy: -1234.659510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1234.659510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1234.659510 (E_RNA)
where:
Base-Base interactions energy: -846.522
where: short stacking energy: -351.464
Base-Backbone interact. energy: -0.809
local terms energy: -387.327941
where:
bonds (distance) C4'-P energy: -78.033
bonds (distance) P-C4' energy: -71.862
flat angles C4'-P-C4' energy: -87.953
flat angles P-C4'-P energy: -48.463
tors. eta vs tors. theta energy: -101.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 115
Temperature: 1.050000
Total energy: -1105.348179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1105.348179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1105.348179 (E_RNA)
where:
Base-Base interactions energy: -742.907
where: short stacking energy: -318.867
Base-Backbone interact. energy: -3.225
local terms energy: -359.216116
where:
bonds (distance) C4'-P energy: -82.484
bonds (distance) P-C4' energy: -74.621
flat angles C4'-P-C4' energy: -72.811
flat angles P-C4'-P energy: -44.620
tors. eta vs tors. theta energy: -84.681
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: 1
=====================================
Write number: 115
Temperature: 1.100000
Total energy: -1096.767646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1096.767646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1096.767646 (E_RNA)
where:
Base-Base interactions energy: -744.322
where: short stacking energy: -335.703
Base-Backbone interact. energy: -2.138
local terms energy: -350.307868
where:
bonds (distance) C4'-P energy: -65.886
bonds (distance) P-C4' energy: -74.145
flat angles C4'-P-C4' energy: -72.009
flat angles P-C4'-P energy: -49.761
tors. eta vs tors. theta energy: -88.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 115
Temperature: 1.150000
Total energy: -1042.063867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1042.063867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1042.063867 (E_RNA)
where:
Base-Base interactions energy: -706.700
where: short stacking energy: -307.404
Base-Backbone interact. energy: -0.959
local terms energy: -334.405083
where:
bonds (distance) C4'-P energy: -57.213
bonds (distance) P-C4' energy: -72.999
flat angles C4'-P-C4' energy: -73.749
flat angles P-C4'-P energy: -48.677
tors. eta vs tors. theta energy: -81.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 115
Temperature: 1.200000
Total energy: -833.166385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -833.166385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -833.166385 (E_RNA)
where:
Base-Base interactions energy: -530.956
where: short stacking energy: -260.805
Base-Backbone interact. energy: -0.532
local terms energy: -301.678429
where:
bonds (distance) C4'-P energy: -65.729
bonds (distance) P-C4' energy: -74.835
flat angles C4'-P-C4' energy: -59.428
flat angles P-C4'-P energy: -39.521
tors. eta vs tors. theta energy: -62.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 115
Temperature: 1.250000
Total energy: -765.140391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -765.140391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -765.140391 (E_RNA)
where:
Base-Base interactions energy: -478.186
where: short stacking energy: -217.395
Base-Backbone interact. energy: -1.309
local terms energy: -285.645947
where:
bonds (distance) C4'-P energy: -61.995
bonds (distance) P-C4' energy: -78.843
flat angles C4'-P-C4' energy: -70.237
flat angles P-C4'-P energy: -34.773
tors. eta vs tors. theta energy: -39.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 115
Temperature: 1.300000
Total energy: -499.667668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.667668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.667668 (E_RNA)
where:
Base-Base interactions energy: -253.561
where: short stacking energy: -152.066
Base-Backbone interact. energy: -0.536
local terms energy: -245.570992
where:
bonds (distance) C4'-P energy: -59.002
bonds (distance) P-C4' energy: -76.098
flat angles C4'-P-C4' energy: -64.343
flat angles P-C4'-P energy: -23.415
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: 2
=====================================
Write number: 115
Temperature: 1.350000
Total energy: -403.598813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.598813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.598813 (E_RNA)
where:
Base-Base interactions energy: -184.399
where: short stacking energy: -120.291
Base-Backbone interact. energy: -0.375
local terms energy: -218.824719
where:
bonds (distance) C4'-P energy: -62.077
bonds (distance) P-C4' energy: -62.308
flat angles C4'-P-C4' energy: -54.397
flat angles P-C4'-P energy: -33.656
tors. eta vs tors. theta energy: -6.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 116
Temperature: 0.900000
Total energy: -1377.040976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1377.040976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1377.040976 (E_RNA)
where:
Base-Base interactions energy: -955.519
where: short stacking energy: -403.610
Base-Backbone interact. energy: -1.941
local terms energy: -419.581630
where:
bonds (distance) C4'-P energy: -85.088
bonds (distance) P-C4' energy: -75.082
flat angles C4'-P-C4' energy: -94.146
flat angles P-C4'-P energy: -53.381
tors. eta vs tors. theta energy: -111.886
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: 3
=====================================
Write number: 116
Temperature: 0.950000
Total energy: -1324.713722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1324.713722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1324.713722 (E_RNA)
where:
Base-Base interactions energy: -898.684
where: short stacking energy: -392.597
Base-Backbone interact. energy: -1.029
local terms energy: -425.000527
where:
bonds (distance) C4'-P energy: -77.351
bonds (distance) P-C4' energy: -75.052
flat angles C4'-P-C4' energy: -88.003
flat angles P-C4'-P energy: -61.211
tors. eta vs tors. theta energy: -123.382
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: 3, replica: 9
=====================================
Write number: 116
Temperature: 1.000000
Total energy: -1207.780670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1207.780670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1207.780670 (E_RNA)
where:
Base-Base interactions energy: -830.891
where: short stacking energy: -357.632
Base-Backbone interact. energy: -1.691
local terms energy: -375.198996
where:
bonds (distance) C4'-P energy: -62.679
bonds (distance) P-C4' energy: -77.557
flat angles C4'-P-C4' energy: -88.386
flat angles P-C4'-P energy: -49.203
tors. eta vs tors. theta energy: -97.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 116
Temperature: 1.050000
Total energy: -1130.343691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1130.343691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1130.343691 (E_RNA)
where:
Base-Base interactions energy: -751.631
where: short stacking energy: -326.866
Base-Backbone interact. energy: -2.083
local terms energy: -376.629806
where:
bonds (distance) C4'-P energy: -74.775
bonds (distance) P-C4' energy: -73.074
flat angles C4'-P-C4' energy: -82.485
flat angles P-C4'-P energy: -58.865
tors. eta vs tors. theta energy: -87.431
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: 1
=====================================
Write number: 116
Temperature: 1.100000
Total energy: -1109.261415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1109.261415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1109.261415 (E_RNA)
where:
Base-Base interactions energy: -766.201
where: short stacking energy: -321.300
Base-Backbone interact. energy: 3.144
local terms energy: -346.204373
where:
bonds (distance) C4'-P energy: -62.667
bonds (distance) P-C4' energy: -75.894
flat angles C4'-P-C4' energy: -80.968
flat angles P-C4'-P energy: -46.264
tors. eta vs tors. theta energy: -80.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 116
Temperature: 1.150000
Total energy: -979.239090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -979.239090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -979.239090 (E_RNA)
where:
Base-Base interactions energy: -676.228
where: short stacking energy: -293.919
Base-Backbone interact. energy: -2.215
local terms energy: -300.796040
where:
bonds (distance) C4'-P energy: -55.325
bonds (distance) P-C4' energy: -54.775
flat angles C4'-P-C4' energy: -74.003
flat angles P-C4'-P energy: -43.585
tors. eta vs tors. theta energy: -73.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 116
Temperature: 1.200000
Total energy: -825.593204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -825.593204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -825.593204 (E_RNA)
where:
Base-Base interactions energy: -519.240
where: short stacking energy: -259.460
Base-Backbone interact. energy: -1.633
local terms energy: -304.719887
where:
bonds (distance) C4'-P energy: -73.278
bonds (distance) P-C4' energy: -73.686
flat angles C4'-P-C4' energy: -60.214
flat angles P-C4'-P energy: -37.366
tors. eta vs tors. theta energy: -60.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 116
Temperature: 1.250000
Total energy: -753.778908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -753.778908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -753.778908 (E_RNA)
where:
Base-Base interactions energy: -457.931
where: short stacking energy: -207.327
Base-Backbone interact. energy: -3.542
local terms energy: -292.306317
where:
bonds (distance) C4'-P energy: -55.404
bonds (distance) P-C4' energy: -69.137
flat angles C4'-P-C4' energy: -69.622
flat angles P-C4'-P energy: -51.679
tors. eta vs tors. theta energy: -46.464
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: 6
=====================================
Write number: 116
Temperature: 1.300000
Total energy: -491.197119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.197119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.197119 (E_RNA)
where:
Base-Base interactions energy: -257.621
where: short stacking energy: -151.810
Base-Backbone interact. energy: 1.325
local terms energy: -234.901476
where:
bonds (distance) C4'-P energy: -56.748
bonds (distance) P-C4' energy: -63.813
flat angles C4'-P-C4' energy: -60.152
flat angles P-C4'-P energy: -43.000
tors. eta vs tors. theta energy: -11.190
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: 2
=====================================
Write number: 116
Temperature: 1.350000
Total energy: -417.476317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.476317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.476317 (E_RNA)
where:
Base-Base interactions energy: -201.586
where: short stacking energy: -103.408
Base-Backbone interact. energy: 2.924
local terms energy: -218.813663
where:
bonds (distance) C4'-P energy: -66.708
bonds (distance) P-C4' energy: -59.729
flat angles C4'-P-C4' energy: -62.845
flat angles P-C4'-P energy: -35.668
tors. eta vs tors. theta energy: 6.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 117
Temperature: 0.900000
Total energy: -1385.575748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1385.575748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1385.575748 (E_RNA)
where:
Base-Base interactions energy: -965.573
where: short stacking energy: -417.631
Base-Backbone interact. energy: -1.881
local terms energy: -418.122011
where:
bonds (distance) C4'-P energy: -81.181
bonds (distance) P-C4' energy: -66.381
flat angles C4'-P-C4' energy: -88.207
flat angles P-C4'-P energy: -66.145
tors. eta vs tors. theta energy: -116.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 117
Temperature: 0.950000
Total energy: -1320.838606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1320.838606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1320.838606 (E_RNA)
where:
Base-Base interactions energy: -905.059
where: short stacking energy: -402.719
Base-Backbone interact. energy: -0.606
local terms energy: -415.173220
where:
bonds (distance) C4'-P energy: -80.124
bonds (distance) P-C4' energy: -69.763
flat angles C4'-P-C4' energy: -88.530
flat angles P-C4'-P energy: -58.112
tors. eta vs tors. theta energy: -118.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 117
Temperature: 1.000000
Total energy: -1202.662437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1202.662437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1202.662437 (E_RNA)
where:
Base-Base interactions energy: -813.845
where: short stacking energy: -359.078
Base-Backbone interact. energy: 1.126
local terms energy: -389.942900
where:
bonds (distance) C4'-P energy: -87.321
bonds (distance) P-C4' energy: -66.057
flat angles C4'-P-C4' energy: -85.552
flat angles P-C4'-P energy: -45.450
tors. eta vs tors. theta energy: -105.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 117
Temperature: 1.050000
Total energy: -1145.122632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1145.122632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1145.122632 (E_RNA)
where:
Base-Base interactions energy: -778.597
where: short stacking energy: -356.272
Base-Backbone interact. energy: -0.937
local terms energy: -365.589079
where:
bonds (distance) C4'-P energy: -68.354
bonds (distance) P-C4' energy: -67.147
flat angles C4'-P-C4' energy: -79.489
flat angles P-C4'-P energy: -50.055
tors. eta vs tors. theta energy: -100.544
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: 10
=====================================
Write number: 117
Temperature: 1.100000
Total energy: -1061.927958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1061.927958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1061.927958 (E_RNA)
where:
Base-Base interactions energy: -711.431
where: short stacking energy: -304.932
Base-Backbone interact. energy: -1.092
local terms energy: -349.404857
where:
bonds (distance) C4'-P energy: -73.996
bonds (distance) P-C4' energy: -76.681
flat angles C4'-P-C4' energy: -75.055
flat angles P-C4'-P energy: -38.962
tors. eta vs tors. theta energy: -84.711
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: 8
=====================================
Write number: 117
Temperature: 1.150000
Total energy: -1024.390910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1024.390910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1024.390910 (E_RNA)
where:
Base-Base interactions energy: -679.942
where: short stacking energy: -306.377
Base-Backbone interact. energy: -2.398
local terms energy: -342.051361
where:
bonds (distance) C4'-P energy: -64.258
bonds (distance) P-C4' energy: -69.367
flat angles C4'-P-C4' energy: -77.353
flat angles P-C4'-P energy: -47.968
tors. eta vs tors. theta energy: -83.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 117
Temperature: 1.200000
Total energy: -812.302448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -812.302448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -812.302448 (E_RNA)
where:
Base-Base interactions energy: -512.446
where: short stacking energy: -229.783
Base-Backbone interact. energy: -1.373
local terms energy: -298.484227
where:
bonds (distance) C4'-P energy: -62.953
bonds (distance) P-C4' energy: -80.246
flat angles C4'-P-C4' energy: -66.227
flat angles P-C4'-P energy: -46.218
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: 8, replica: 4
=====================================
Write number: 117
Temperature: 1.250000
Total energy: -694.816427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -694.816427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -694.816427 (E_RNA)
where:
Base-Base interactions energy: -416.588
where: short stacking energy: -193.278
Base-Backbone interact. energy: -1.099
local terms energy: -277.129817
where:
bonds (distance) C4'-P energy: -62.491
bonds (distance) P-C4' energy: -77.816
flat angles C4'-P-C4' energy: -60.979
flat angles P-C4'-P energy: -33.295
tors. eta vs tors. theta energy: -42.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 117
Temperature: 1.300000
Total energy: -503.840208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.840208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.840208 (E_RNA)
where:
Base-Base interactions energy: -258.573
where: short stacking energy: -147.146
Base-Backbone interact. energy: -0.484
local terms energy: -245.999678
where:
bonds (distance) C4'-P energy: -65.922
bonds (distance) P-C4' energy: -72.147
flat angles C4'-P-C4' energy: -66.109
flat angles P-C4'-P energy: -33.211
tors. eta vs tors. theta energy: -8.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.217 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 117
Temperature: 1.350000
Total energy: -382.946835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.946835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.946835 (E_RNA)
where:
Base-Base interactions energy: -170.048
where: short stacking energy: -100.130
Base-Backbone interact. energy: -0.756
local terms energy: -212.143638
where:
bonds (distance) C4'-P energy: -51.435
bonds (distance) P-C4' energy: -65.396
flat angles C4'-P-C4' energy: -60.121
flat angles P-C4'-P energy: -38.067
tors. eta vs tors. theta energy: 2.876
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 118
Temperature: 0.900000
Total energy: -1378.128017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1378.128017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1378.128017 (E_RNA)
where:
Base-Base interactions energy: -944.045
where: short stacking energy: -400.986
Base-Backbone interact. energy: -1.077
local terms energy: -433.006072
where:
bonds (distance) C4'-P energy: -82.983
bonds (distance) P-C4' energy: -79.118
flat angles C4'-P-C4' energy: -95.568
flat angles P-C4'-P energy: -55.694
tors. eta vs tors. theta energy: -119.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 118
Temperature: 0.950000
Total energy: -1312.507719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1312.507719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1312.507719 (E_RNA)
where:
Base-Base interactions energy: -899.685
where: short stacking energy: -400.578
Base-Backbone interact. energy: -0.818
local terms energy: -412.004202
where:
bonds (distance) C4'-P energy: -68.043
bonds (distance) P-C4' energy: -85.786
flat angles C4'-P-C4' energy: -83.808
flat angles P-C4'-P energy: -47.566
tors. eta vs tors. theta energy: -126.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 118
Temperature: 1.000000
Total energy: -1213.040917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1213.040917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1213.040917 (E_RNA)
where:
Base-Base interactions energy: -819.413
where: short stacking energy: -369.801
Base-Backbone interact. energy: 0.085
local terms energy: -393.712814
where:
bonds (distance) C4'-P energy: -73.663
bonds (distance) P-C4' energy: -67.654
flat angles C4'-P-C4' energy: -79.544
flat angles P-C4'-P energy: -66.570
tors. eta vs tors. theta energy: -106.282
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: 4, replica: 1
=====================================
Write number: 118
Temperature: 1.050000
Total energy: -1103.508471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1103.508471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1103.508471 (E_RNA)
where:
Base-Base interactions energy: -736.134
where: short stacking energy: -313.424
Base-Backbone interact. energy: 1.483
local terms energy: -368.856941
where:
bonds (distance) C4'-P energy: -70.316
bonds (distance) P-C4' energy: -78.107
flat angles C4'-P-C4' energy: -81.861
flat angles P-C4'-P energy: -48.733
tors. eta vs tors. theta energy: -89.840
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: 10
=====================================
Write number: 118
Temperature: 1.100000
Total energy: -1082.105850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1082.105850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1082.105850 (E_RNA)
where:
Base-Base interactions energy: -735.556
where: short stacking energy: -294.040
Base-Backbone interact. energy: 1.670
local terms energy: -348.219072
where:
bonds (distance) C4'-P energy: -76.292
bonds (distance) P-C4' energy: -69.166
flat angles C4'-P-C4' energy: -78.052
flat angles P-C4'-P energy: -52.893
tors. eta vs tors. theta energy: -71.816
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: 8
=====================================
Write number: 118
Temperature: 1.150000
Total energy: -1031.229762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1031.229762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1031.229762 (E_RNA)
where:
Base-Base interactions energy: -691.456
where: short stacking energy: -307.338
Base-Backbone interact. energy: -1.158
local terms energy: -338.616030
where:
bonds (distance) C4'-P energy: -62.226
bonds (distance) P-C4' energy: -68.414
flat angles C4'-P-C4' energy: -79.828
flat angles P-C4'-P energy: -44.126
tors. eta vs tors. theta energy: -84.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 118
Temperature: 1.200000
Total energy: -879.727547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -879.727547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -879.727547 (E_RNA)
where:
Base-Base interactions energy: -567.508
where: short stacking energy: -243.027
Base-Backbone interact. energy: 1.251
local terms energy: -313.470719
where:
bonds (distance) C4'-P energy: -60.195
bonds (distance) P-C4' energy: -75.163
flat angles C4'-P-C4' energy: -69.733
flat angles P-C4'-P energy: -48.753
tors. eta vs tors. theta energy: -59.626
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: 4
=====================================
Write number: 118
Temperature: 1.250000
Total energy: -679.062980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -679.062980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -679.062980 (E_RNA)
where:
Base-Base interactions energy: -403.848
where: short stacking energy: -220.574
Base-Backbone interact. energy: 7.275
local terms energy: -282.489954
where:
bonds (distance) C4'-P energy: -58.325
bonds (distance) P-C4' energy: -65.590
flat angles C4'-P-C4' energy: -72.725
flat angles P-C4'-P energy: -45.322
tors. eta vs tors. theta energy: -40.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 118
Temperature: 1.300000
Total energy: -478.499932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.499932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.499932 (E_RNA)
where:
Base-Base interactions energy: -232.700
where: short stacking energy: -122.388
Base-Backbone interact. energy: 2.368
local terms energy: -248.167606
where:
bonds (distance) C4'-P energy: -70.025
bonds (distance) P-C4' energy: -73.451
flat angles C4'-P-C4' energy: -68.663
flat angles P-C4'-P energy: -39.619
tors. eta vs tors. theta energy: 3.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 118
Temperature: 1.350000
Total energy: -392.140996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.140996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.140996 (E_RNA)
where:
Base-Base interactions energy: -166.288
where: short stacking energy: -114.461
Base-Backbone interact. energy: -0.018
local terms energy: -225.835246
where:
bonds (distance) C4'-P energy: -60.223
bonds (distance) P-C4' energy: -57.987
flat angles C4'-P-C4' energy: -59.616
flat angles P-C4'-P energy: -42.021
tors. eta vs tors. theta energy: -5.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 119
Temperature: 0.900000
Total energy: -1375.423140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1375.423140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1375.423140 (E_RNA)
where:
Base-Base interactions energy: -965.652
where: short stacking energy: -424.259
Base-Backbone interact. energy: -0.348
local terms energy: -409.422465
where:
bonds (distance) C4'-P energy: -75.573
bonds (distance) P-C4' energy: -69.870
flat angles C4'-P-C4' energy: -86.319
flat angles P-C4'-P energy: -56.719
tors. eta vs tors. theta energy: -120.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 119
Temperature: 0.950000
Total energy: -1316.607609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1316.607609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1316.607609 (E_RNA)
where:
Base-Base interactions energy: -893.060
where: short stacking energy: -388.166
Base-Backbone interact. energy: -1.731
local terms energy: -421.816655
where:
bonds (distance) C4'-P energy: -68.951
bonds (distance) P-C4' energy: -75.041
flat angles C4'-P-C4' energy: -86.264
flat angles P-C4'-P energy: -70.378
tors. eta vs tors. theta energy: -121.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 119
Temperature: 1.000000
Total energy: -1225.803615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1225.803615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1225.803615 (E_RNA)
where:
Base-Base interactions energy: -821.145
where: short stacking energy: -382.130
Base-Backbone interact. energy: -0.785
local terms energy: -403.873507
where:
bonds (distance) C4'-P energy: -64.089
bonds (distance) P-C4' energy: -85.924
flat angles C4'-P-C4' energy: -85.536
flat angles P-C4'-P energy: -57.332
tors. eta vs tors. theta energy: -110.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 119
Temperature: 1.050000
Total energy: -1104.326038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1104.326038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1104.326038 (E_RNA)
where:
Base-Base interactions energy: -745.093
where: short stacking energy: -322.137
Base-Backbone interact. energy: -0.578
local terms energy: -358.654786
where:
bonds (distance) C4'-P energy: -68.647
bonds (distance) P-C4' energy: -65.013
flat angles C4'-P-C4' energy: -77.113
flat angles P-C4'-P energy: -54.797
tors. eta vs tors. theta energy: -93.084
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: 5, replica: 10
=====================================
Write number: 119
Temperature: 1.100000
Total energy: -1078.995934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1078.995934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1078.995934 (E_RNA)
where:
Base-Base interactions energy: -752.744
where: short stacking energy: -330.052
Base-Backbone interact. energy: -1.131
local terms energy: -325.121829
where:
bonds (distance) C4'-P energy: -67.063
bonds (distance) P-C4' energy: -64.756
flat angles C4'-P-C4' energy: -71.126
flat angles P-C4'-P energy: -42.488
tors. eta vs tors. theta energy: -79.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 119
Temperature: 1.150000
Total energy: -998.499056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -998.499056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -998.499056 (E_RNA)
where:
Base-Base interactions energy: -664.266
where: short stacking energy: -296.312
Base-Backbone interact. energy: 7.397
local terms energy: -341.630073
where:
bonds (distance) C4'-P energy: -72.497
bonds (distance) P-C4' energy: -68.850
flat angles C4'-P-C4' energy: -79.950
flat angles P-C4'-P energy: -54.288
tors. eta vs tors. theta energy: -66.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 119
Temperature: 1.200000
Total energy: -905.967188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -905.967188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -905.967188 (E_RNA)
where:
Base-Base interactions energy: -603.449
where: short stacking energy: -256.420
Base-Backbone interact. energy: 3.441
local terms energy: -305.958761
where:
bonds (distance) C4'-P energy: -60.662
bonds (distance) P-C4' energy: -55.472
flat angles C4'-P-C4' energy: -85.443
flat angles P-C4'-P energy: -45.274
tors. eta vs tors. theta energy: -59.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 119
Temperature: 1.250000
Total energy: -586.412005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -586.412005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -586.412005 (E_RNA)
where:
Base-Base interactions energy: -325.847
where: short stacking energy: -171.185
Base-Backbone interact. energy: -1.154
local terms energy: -259.410325
where:
bonds (distance) C4'-P energy: -53.955
bonds (distance) P-C4' energy: -85.508
flat angles C4'-P-C4' energy: -55.737
flat angles P-C4'-P energy: -38.570
tors. eta vs tors. theta energy: -25.641
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: 6
=====================================
Write number: 119
Temperature: 1.300000
Total energy: -526.948726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.948726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.948726 (E_RNA)
where:
Base-Base interactions energy: -292.915
where: short stacking energy: -142.676
Base-Backbone interact. energy: -1.278
local terms energy: -232.755838
where:
bonds (distance) C4'-P energy: -58.856
bonds (distance) P-C4' energy: -74.199
flat angles C4'-P-C4' energy: -64.273
flat angles P-C4'-P energy: -29.230
tors. eta vs tors. theta energy: -6.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 119
Temperature: 1.350000
Total energy: -401.367768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.367768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -401.367768 (E_RNA)
where:
Base-Base interactions energy: -192.737
where: short stacking energy: -128.749
Base-Backbone interact. energy: 1.038
local terms energy: -209.668888
where:
bonds (distance) C4'-P energy: -58.875
bonds (distance) P-C4' energy: -50.479
flat angles C4'-P-C4' energy: -53.507
flat angles P-C4'-P energy: -40.324
tors. eta vs tors. theta energy: -6.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 120
Temperature: 0.900000
Total energy: -1386.628994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1386.628994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1386.628994 (E_RNA)
where:
Base-Base interactions energy: -933.600
where: short stacking energy: -417.092
Base-Backbone interact. energy: -1.149
local terms energy: -451.880389
where:
bonds (distance) C4'-P energy: -87.910
bonds (distance) P-C4' energy: -83.825
flat angles C4'-P-C4' energy: -92.155
flat angles P-C4'-P energy: -65.344
tors. eta vs tors. theta energy: -122.647
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: 2, replica: 3
=====================================
Write number: 120
Temperature: 0.950000
Total energy: -1339.493918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1339.493918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1339.493918 (E_RNA)
where:
Base-Base interactions energy: -907.382
where: short stacking energy: -412.608
Base-Backbone interact. energy: -0.766
local terms energy: -431.346163
where:
bonds (distance) C4'-P energy: -71.238
bonds (distance) P-C4' energy: -87.525
flat angles C4'-P-C4' energy: -89.030
flat angles P-C4'-P energy: -54.081
tors. eta vs tors. theta energy: -129.472
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: 3, replica: 9
=====================================
Write number: 120
Temperature: 1.000000
Total energy: -1226.396650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1226.396650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1226.396650 (E_RNA)
where:
Base-Base interactions energy: -831.670
where: short stacking energy: -373.403
Base-Backbone interact. energy: 3.788
local terms energy: -398.515080
where:
bonds (distance) C4'-P energy: -77.221
bonds (distance) P-C4' energy: -76.601
flat angles C4'-P-C4' energy: -74.342
flat angles P-C4'-P energy: -61.637
tors. eta vs tors. theta energy: -108.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 120
Temperature: 1.050000
Total energy: -1128.930065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1128.930065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1128.930065 (E_RNA)
where:
Base-Base interactions energy: -753.252
where: short stacking energy: -328.204
Base-Backbone interact. energy: -0.976
local terms energy: -374.702077
where:
bonds (distance) C4'-P energy: -70.476
bonds (distance) P-C4' energy: -68.243
flat angles C4'-P-C4' energy: -87.797
flat angles P-C4'-P energy: -54.055
tors. eta vs tors. theta energy: -94.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 120
Temperature: 1.100000
Total energy: -1052.503424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1052.503424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1052.503424 (E_RNA)
where:
Base-Base interactions energy: -705.757
where: short stacking energy: -306.628
Base-Backbone interact. energy: 0.229
local terms energy: -346.975904
where:
bonds (distance) C4'-P energy: -77.325
bonds (distance) P-C4' energy: -73.072
flat angles C4'-P-C4' energy: -67.041
flat angles P-C4'-P energy: -47.195
tors. eta vs tors. theta energy: -82.343
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: 8
=====================================
Write number: 120
Temperature: 1.150000
Total energy: -1017.253767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1017.253767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1017.253767 (E_RNA)
where:
Base-Base interactions energy: -659.818
where: short stacking energy: -298.511
Base-Backbone interact. energy: -1.431
local terms energy: -356.004439
where:
bonds (distance) C4'-P energy: -71.117
bonds (distance) P-C4' energy: -76.684
flat angles C4'-P-C4' energy: -76.227
flat angles P-C4'-P energy: -61.232
tors. eta vs tors. theta energy: -70.744
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: 5
=====================================
Write number: 120
Temperature: 1.200000
Total energy: -927.941846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -927.941846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -927.941846 (E_RNA)
where:
Base-Base interactions energy: -619.242
where: short stacking energy: -275.177
Base-Backbone interact. energy: -2.307
local terms energy: -306.393817
where:
bonds (distance) C4'-P energy: -70.069
bonds (distance) P-C4' energy: -63.394
flat angles C4'-P-C4' energy: -69.101
flat angles P-C4'-P energy: -50.947
tors. eta vs tors. theta energy: -52.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 120
Temperature: 1.250000
Total energy: -571.482451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -571.482451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -571.482451 (E_RNA)
where:
Base-Base interactions energy: -331.426
where: short stacking energy: -202.795
Base-Backbone interact. energy: 4.373
local terms energy: -244.429474
where:
bonds (distance) C4'-P energy: -64.125
bonds (distance) P-C4' energy: -63.805
flat angles C4'-P-C4' energy: -53.911
flat angles P-C4'-P energy: -31.530
tors. eta vs tors. theta energy: -31.058
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: 6
=====================================
Write number: 120
Temperature: 1.300000
Total energy: -546.397172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.397172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.397172 (E_RNA)
where:
Base-Base interactions energy: -306.435
where: short stacking energy: -152.807
Base-Backbone interact. energy: -0.433
local terms energy: -239.529572
where:
bonds (distance) C4'-P energy: -65.046
bonds (distance) P-C4' energy: -63.504
flat angles C4'-P-C4' energy: -58.159
flat angles P-C4'-P energy: -31.442
tors. eta vs tors. theta energy: -21.377
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: 10, replica: 2
=====================================
Write number: 120
Temperature: 1.350000
Total energy: -421.810467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.810467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.810467 (E_RNA)
where:
Base-Base interactions energy: -200.086
where: short stacking energy: -115.246
Base-Backbone interact. energy: 0.220
local terms energy: -221.943639
where:
bonds (distance) C4'-P energy: -63.746
bonds (distance) P-C4' energy: -71.682
flat angles C4'-P-C4' energy: -58.755
flat angles P-C4'-P energy: -21.909
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: 1, replica: 7
=====================================
Write number: 121
Temperature: 0.900000
Total energy: -1399.762031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1399.762031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1399.762031 (E_RNA)
where:
Base-Base interactions energy: -971.868
where: short stacking energy: -409.793
Base-Backbone interact. energy: -0.583
local terms energy: -427.311316
where:
bonds (distance) C4'-P energy: -74.410
bonds (distance) P-C4' energy: -83.785
flat angles C4'-P-C4' energy: -93.392
flat angles P-C4'-P energy: -59.769
tors. eta vs tors. theta energy: -115.956
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: 3
=====================================
Write number: 121
Temperature: 0.950000
Total energy: -1315.357603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1315.357603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1315.357603 (E_RNA)
where:
Base-Base interactions energy: -888.361
where: short stacking energy: -400.245
Base-Backbone interact. energy: -0.306
local terms energy: -426.689747
where:
bonds (distance) C4'-P energy: -82.437
bonds (distance) P-C4' energy: -79.163
flat angles C4'-P-C4' energy: -84.871
flat angles P-C4'-P energy: -56.774
tors. eta vs tors. theta energy: -123.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 121
Temperature: 1.000000
Total energy: -1213.010470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1213.010470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1213.010470 (E_RNA)
where:
Base-Base interactions energy: -823.879
where: short stacking energy: -353.804
Base-Backbone interact. energy: -2.974
local terms energy: -386.157094
where:
bonds (distance) C4'-P energy: -60.069
bonds (distance) P-C4' energy: -78.042
flat angles C4'-P-C4' energy: -86.023
flat angles P-C4'-P energy: -56.560
tors. eta vs tors. theta energy: -105.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 121
Temperature: 1.050000
Total energy: -1088.772759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1088.772759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1088.772759 (E_RNA)
where:
Base-Base interactions energy: -722.712
where: short stacking energy: -315.384
Base-Backbone interact. energy: -1.579
local terms energy: -364.481053
where:
bonds (distance) C4'-P energy: -69.334
bonds (distance) P-C4' energy: -71.904
flat angles C4'-P-C4' energy: -81.912
flat angles P-C4'-P energy: -61.521
tors. eta vs tors. theta energy: -79.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 121
Temperature: 1.100000
Total energy: -1057.582467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1057.582467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1057.582467 (E_RNA)
where:
Base-Base interactions energy: -723.197
where: short stacking energy: -286.500
Base-Backbone interact. energy: -1.333
local terms energy: -333.052724
where:
bonds (distance) C4'-P energy: -61.687
bonds (distance) P-C4' energy: -75.639
flat angles C4'-P-C4' energy: -84.524
flat angles P-C4'-P energy: -31.521
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: 6, replica: 8
=====================================
Write number: 121
Temperature: 1.150000
Total energy: -1042.830802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1042.830802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1042.830802 (E_RNA)
where:
Base-Base interactions energy: -691.044
where: short stacking energy: -309.177
Base-Backbone interact. energy: -0.980
local terms energy: -350.806719
where:
bonds (distance) C4'-P energy: -69.086
bonds (distance) P-C4' energy: -80.261
flat angles C4'-P-C4' energy: -67.965
flat angles P-C4'-P energy: -50.019
tors. eta vs tors. theta energy: -83.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 121
Temperature: 1.200000
Total energy: -882.390499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -882.390499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -882.390499 (E_RNA)
where:
Base-Base interactions energy: -565.263
where: short stacking energy: -260.505
Base-Backbone interact. energy: 0.580
local terms energy: -317.707401
where:
bonds (distance) C4'-P energy: -60.026
bonds (distance) P-C4' energy: -66.138
flat angles C4'-P-C4' energy: -77.959
flat angles P-C4'-P energy: -54.195
tors. eta vs tors. theta energy: -59.390
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: 6
=====================================
Write number: 121
Temperature: 1.250000
Total energy: -614.230091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -614.230091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -614.230091 (E_RNA)
where:
Base-Base interactions energy: -360.027
where: short stacking energy: -183.928
Base-Backbone interact. energy: 0.932
local terms energy: -255.134742
where:
bonds (distance) C4'-P energy: -74.333
bonds (distance) P-C4' energy: -71.290
flat angles C4'-P-C4' energy: -51.697
flat angles P-C4'-P energy: -28.774
tors. eta vs tors. theta energy: -29.040
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: 4
=====================================
Write number: 121
Temperature: 1.300000
Total energy: -564.727208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -564.727208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -564.727208 (E_RNA)
where:
Base-Base interactions energy: -317.193
where: short stacking energy: -174.423
Base-Backbone interact. energy: -0.743
local terms energy: -246.790950
where:
bonds (distance) C4'-P energy: -74.900
bonds (distance) P-C4' energy: -63.282
flat angles C4'-P-C4' energy: -55.472
flat angles P-C4'-P energy: -29.714
tors. eta vs tors. theta energy: -23.423
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: 10, replica: 2
=====================================
Write number: 121
Temperature: 1.350000
Total energy: -413.344248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.344248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.344248 (E_RNA)
where:
Base-Base interactions energy: -188.867
where: short stacking energy: -115.754
Base-Backbone interact. energy: 1.965
local terms energy: -226.441644
where:
bonds (distance) C4'-P energy: -55.311
bonds (distance) P-C4' energy: -84.921
flat angles C4'-P-C4' energy: -55.896
flat angles P-C4'-P energy: -31.767
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: 7
=====================================
Write number: 122
Temperature: 0.900000
Total energy: -1409.274813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1409.274813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1409.274813 (E_RNA)
where:
Base-Base interactions energy: -978.319
where: short stacking energy: -402.464
Base-Backbone interact. energy: -2.297
local terms energy: -428.659035
where:
bonds (distance) C4'-P energy: -72.944
bonds (distance) P-C4' energy: -78.978
flat angles C4'-P-C4' energy: -93.908
flat angles P-C4'-P energy: -66.362
tors. eta vs tors. theta energy: -116.467
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: 122
Temperature: 0.950000
Total energy: -1321.082039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1321.082039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1321.082039 (E_RNA)
where:
Base-Base interactions energy: -912.123
where: short stacking energy: -390.323
Base-Backbone interact. energy: -0.727
local terms energy: -408.231155
where:
bonds (distance) C4'-P energy: -72.602
bonds (distance) P-C4' energy: -74.768
flat angles C4'-P-C4' energy: -73.180
flat angles P-C4'-P energy: -63.062
tors. eta vs tors. theta energy: -124.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 122
Temperature: 1.000000
Total energy: -1233.677690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1233.677690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1233.677690 (E_RNA)
where:
Base-Base interactions energy: -845.302
where: short stacking energy: -351.210
Base-Backbone interact. energy: -0.251
local terms energy: -388.124159
where:
bonds (distance) C4'-P energy: -75.040
bonds (distance) P-C4' energy: -80.052
flat angles C4'-P-C4' energy: -71.598
flat angles P-C4'-P energy: -55.553
tors. eta vs tors. theta energy: -105.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 122
Temperature: 1.050000
Total energy: -1070.824075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1070.824075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1070.824075 (E_RNA)
where:
Base-Base interactions energy: -714.428
where: short stacking energy: -298.016
Base-Backbone interact. energy: -1.659
local terms energy: -354.897447
where:
bonds (distance) C4'-P energy: -65.815
bonds (distance) P-C4' energy: -76.664
flat angles C4'-P-C4' energy: -75.867
flat angles P-C4'-P energy: -45.160
tors. eta vs tors. theta energy: -91.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.160 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 122
Temperature: 1.100000
Total energy: -1068.853639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1068.853639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1068.853639 (E_RNA)
where:
Base-Base interactions energy: -704.769
where: short stacking energy: -305.744
Base-Backbone interact. energy: -1.438
local terms energy: -362.646480
where:
bonds (distance) C4'-P energy: -70.620
bonds (distance) P-C4' energy: -73.130
flat angles C4'-P-C4' energy: -83.445
flat angles P-C4'-P energy: -52.948
tors. eta vs tors. theta energy: -82.504
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: 6, replica: 8
=====================================
Write number: 122
Temperature: 1.150000
Total energy: -1089.712381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1089.712381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1089.712381 (E_RNA)
where:
Base-Base interactions energy: -751.064
where: short stacking energy: -323.793
Base-Backbone interact. energy: 2.270
local terms energy: -340.917893
where:
bonds (distance) C4'-P energy: -50.332
bonds (distance) P-C4' energy: -74.396
flat angles C4'-P-C4' energy: -82.071
flat angles P-C4'-P energy: -50.775
tors. eta vs tors. theta energy: -83.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 122
Temperature: 1.200000
Total energy: -927.009688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -927.009688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -927.009688 (E_RNA)
where:
Base-Base interactions energy: -616.310
where: short stacking energy: -261.962
Base-Backbone interact. energy: 0.600
local terms energy: -311.299248
where:
bonds (distance) C4'-P energy: -73.548
bonds (distance) P-C4' energy: -64.812
flat angles C4'-P-C4' energy: -66.400
flat angles P-C4'-P energy: -42.380
tors. eta vs tors. theta energy: -64.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 122
Temperature: 1.250000
Total energy: -603.350186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -603.350186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -603.350186 (E_RNA)
where:
Base-Base interactions energy: -359.235
where: short stacking energy: -168.582
Base-Backbone interact. energy: -1.653
local terms energy: -242.463016
where:
bonds (distance) C4'-P energy: -64.675
bonds (distance) P-C4' energy: -70.018
flat angles C4'-P-C4' energy: -61.739
flat angles P-C4'-P energy: -38.474
tors. eta vs tors. theta energy: -7.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 122
Temperature: 1.300000
Total energy: -553.402772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.402772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.402772 (E_RNA)
where:
Base-Base interactions energy: -309.981
where: short stacking energy: -160.465
Base-Backbone interact. energy: -0.666
local terms energy: -242.756086
where:
bonds (distance) C4'-P energy: -59.712
bonds (distance) P-C4' energy: -70.027
flat angles C4'-P-C4' energy: -55.210
flat angles P-C4'-P energy: -38.991
tors. eta vs tors. theta energy: -18.817
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: 2
=====================================
Write number: 122
Temperature: 1.350000
Total energy: -433.146282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -433.146282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -433.146282 (E_RNA)
where:
Base-Base interactions energy: -220.602
where: short stacking energy: -135.490
Base-Backbone interact. energy: -0.340
local terms energy: -212.204789
where:
bonds (distance) C4'-P energy: -52.692
bonds (distance) P-C4' energy: -57.723
flat angles C4'-P-C4' energy: -58.950
flat angles P-C4'-P energy: -36.075
tors. eta vs tors. theta energy: -6.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 123
Temperature: 0.900000
Total energy: -1424.791921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1424.791921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1424.791921 (E_RNA)
where:
Base-Base interactions energy: -995.064
where: short stacking energy: -415.605
Base-Backbone interact. energy: -2.567
local terms energy: -427.160706
where:
bonds (distance) C4'-P energy: -76.671
bonds (distance) P-C4' energy: -78.074
flat angles C4'-P-C4' energy: -91.872
flat angles P-C4'-P energy: -57.580
tors. eta vs tors. theta energy: -122.964
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: 3
=====================================
Write number: 123
Temperature: 0.950000
Total energy: -1295.515479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1295.515479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1295.515479 (E_RNA)
where:
Base-Base interactions energy: -890.276
where: short stacking energy: -379.676
Base-Backbone interact. energy: 0.401
local terms energy: -405.639903
where:
bonds (distance) C4'-P energy: -75.248
bonds (distance) P-C4' energy: -75.491
flat angles C4'-P-C4' energy: -86.396
flat angles P-C4'-P energy: -51.961
tors. eta vs tors. theta energy: -116.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 123
Temperature: 1.000000
Total energy: -1209.610078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1209.610078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1209.610078 (E_RNA)
where:
Base-Base interactions energy: -819.462
where: short stacking energy: -352.938
Base-Backbone interact. energy: -0.867
local terms energy: -389.438009
where:
bonds (distance) C4'-P energy: -73.642
bonds (distance) P-C4' energy: -63.831
flat angles C4'-P-C4' energy: -84.998
flat angles P-C4'-P energy: -60.627
tors. eta vs tors. theta energy: -106.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.157 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 123
Temperature: 1.050000
Total energy: -1105.759740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1105.759740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1105.759740 (E_RNA)
where:
Base-Base interactions energy: -757.170
where: short stacking energy: -320.896
Base-Backbone interact. energy: -2.043
local terms energy: -346.546101
where:
bonds (distance) C4'-P energy: -59.643
bonds (distance) P-C4' energy: -77.424
flat angles C4'-P-C4' energy: -80.552
flat angles P-C4'-P energy: -45.210
tors. eta vs tors. theta energy: -83.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 123
Temperature: 1.100000
Total energy: -1053.196821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1053.196821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1053.196821 (E_RNA)
where:
Base-Base interactions energy: -715.372
where: short stacking energy: -312.325
Base-Backbone interact. energy: -1.409
local terms energy: -336.415612
where:
bonds (distance) C4'-P energy: -67.291
bonds (distance) P-C4' energy: -70.726
flat angles C4'-P-C4' energy: -78.307
flat angles P-C4'-P energy: -39.334
tors. eta vs tors. theta energy: -80.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 123
Temperature: 1.150000
Total energy: -1047.317315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1047.317315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1047.317315 (E_RNA)
where:
Base-Base interactions energy: -699.550
where: short stacking energy: -315.650
Base-Backbone interact. energy: -0.191
local terms energy: -347.576764
where:
bonds (distance) C4'-P energy: -64.284
bonds (distance) P-C4' energy: -69.218
flat angles C4'-P-C4' energy: -72.252
flat angles P-C4'-P energy: -55.847
tors. eta vs tors. theta energy: -85.976
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: 7, replica: 5
=====================================
Write number: 123
Temperature: 1.200000
Total energy: -976.736508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -976.736508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -976.736508 (E_RNA)
where:
Base-Base interactions energy: -647.506
where: short stacking energy: -273.668
Base-Backbone interact. energy: 0.207
local terms energy: -329.437393
where:
bonds (distance) C4'-P energy: -71.938
bonds (distance) P-C4' energy: -67.147
flat angles C4'-P-C4' energy: -72.005
flat angles P-C4'-P energy: -48.573
tors. eta vs tors. theta energy: -69.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 123
Temperature: 1.250000
Total energy: -568.604701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -568.604701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -568.604701 (E_RNA)
where:
Base-Base interactions energy: -312.018
where: short stacking energy: -168.105
Base-Backbone interact. energy: 2.625
local terms energy: -259.212147
where:
bonds (distance) C4'-P energy: -68.455
bonds (distance) P-C4' energy: -75.268
flat angles C4'-P-C4' energy: -66.349
flat angles P-C4'-P energy: -34.829
tors. eta vs tors. theta energy: -14.310
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: 6
=====================================
Write number: 123
Temperature: 1.300000
Total energy: -550.542862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.542862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.542862 (E_RNA)
where:
Base-Base interactions energy: -337.859
where: short stacking energy: -179.415
Base-Backbone interact. energy: 3.441
local terms energy: -216.125504
where:
bonds (distance) C4'-P energy: -48.801
bonds (distance) P-C4' energy: -63.342
flat angles C4'-P-C4' energy: -56.313
flat angles P-C4'-P energy: -31.242
tors. eta vs tors. theta energy: -16.428
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: 2
=====================================
Write number: 123
Temperature: 1.350000
Total energy: -460.073215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.073215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.073215 (E_RNA)
where:
Base-Base interactions energy: -245.666
where: short stacking energy: -142.944
Base-Backbone interact. energy: -0.456
local terms energy: -213.951016
where:
bonds (distance) C4'-P energy: -68.291
bonds (distance) P-C4' energy: -61.624
flat angles C4'-P-C4' energy: -55.335
flat angles P-C4'-P energy: -33.265
tors. eta vs tors. theta energy: 4.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 124
Temperature: 0.900000
Total energy: -1425.780993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1425.780993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1425.780993 (E_RNA)
where:
Base-Base interactions energy: -1013.567
where: short stacking energy: -427.519
Base-Backbone interact. energy: -0.352
local terms energy: -411.862273
where:
bonds (distance) C4'-P energy: -74.695
bonds (distance) P-C4' energy: -79.746
flat angles C4'-P-C4' energy: -84.372
flat angles P-C4'-P energy: -55.994
tors. eta vs tors. theta energy: -117.055
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: 2, replica: 3
=====================================
Write number: 124
Temperature: 0.950000
Total energy: -1283.354751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1283.354751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1283.354751 (E_RNA)
where:
Base-Base interactions energy: -875.849
where: short stacking energy: -382.659
Base-Backbone interact. energy: -0.393
local terms energy: -407.112320
where:
bonds (distance) C4'-P energy: -78.634
bonds (distance) P-C4' energy: -75.874
flat angles C4'-P-C4' energy: -91.050
flat angles P-C4'-P energy: -50.925
tors. eta vs tors. theta energy: -110.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 124
Temperature: 1.000000
Total energy: -1208.308733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1208.308733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1208.308733 (E_RNA)
where:
Base-Base interactions energy: -834.433
where: short stacking energy: -360.353
Base-Backbone interact. energy: 2.089
local terms energy: -375.965542
where:
bonds (distance) C4'-P energy: -70.621
bonds (distance) P-C4' energy: -78.392
flat angles C4'-P-C4' energy: -85.642
flat angles P-C4'-P energy: -51.753
tors. eta vs tors. theta energy: -89.558
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: 1
=====================================
Write number: 124
Temperature: 1.050000
Total energy: -1105.741111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1105.741111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1105.741111 (E_RNA)
where:
Base-Base interactions energy: -732.192
where: short stacking energy: -329.965
Base-Backbone interact. energy: -0.525
local terms energy: -373.023671
where:
bonds (distance) C4'-P energy: -68.441
bonds (distance) P-C4' energy: -73.808
flat angles C4'-P-C4' energy: -83.479
flat angles P-C4'-P energy: -56.563
tors. eta vs tors. theta energy: -90.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 124
Temperature: 1.100000
Total energy: -1081.507153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1081.507153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1081.507153 (E_RNA)
where:
Base-Base interactions energy: -736.904
where: short stacking energy: -339.161
Base-Backbone interact. energy: -0.156
local terms energy: -344.446441
where:
bonds (distance) C4'-P energy: -67.975
bonds (distance) P-C4' energy: -62.635
flat angles C4'-P-C4' energy: -75.436
flat angles P-C4'-P energy: -50.313
tors. eta vs tors. theta energy: -88.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 124
Temperature: 1.150000
Total energy: -1043.869533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1043.869533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1043.869533 (E_RNA)
where:
Base-Base interactions energy: -717.358
where: short stacking energy: -296.543
Base-Backbone interact. energy: 1.768
local terms energy: -328.280017
where:
bonds (distance) C4'-P energy: -62.178
bonds (distance) P-C4' energy: -75.563
flat angles C4'-P-C4' energy: -75.384
flat angles P-C4'-P energy: -41.336
tors. eta vs tors. theta energy: -73.819
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: 5
=====================================
Write number: 124
Temperature: 1.200000
Total energy: -974.269041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -974.269041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -974.269041 (E_RNA)
where:
Base-Base interactions energy: -641.835
where: short stacking energy: -281.848
Base-Backbone interact. energy: -0.723
local terms energy: -331.711367
where:
bonds (distance) C4'-P energy: -56.942
bonds (distance) P-C4' energy: -73.186
flat angles C4'-P-C4' energy: -75.986
flat angles P-C4'-P energy: -45.787
tors. eta vs tors. theta energy: -79.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 124
Temperature: 1.250000
Total energy: -587.095294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -587.095294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -587.095294 (E_RNA)
where:
Base-Base interactions energy: -323.484
where: short stacking energy: -177.095
Base-Backbone interact. energy: -1.235
local terms energy: -262.376554
where:
bonds (distance) C4'-P energy: -68.726
bonds (distance) P-C4' energy: -71.343
flat angles C4'-P-C4' energy: -68.485
flat angles P-C4'-P energy: -34.924
tors. eta vs tors. theta energy: -18.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 124
Temperature: 1.300000
Total energy: -548.835044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.835044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.835044 (E_RNA)
where:
Base-Base interactions energy: -329.872
where: short stacking energy: -146.210
Base-Backbone interact. energy: 0.445
local terms energy: -219.407484
where:
bonds (distance) C4'-P energy: -67.649
bonds (distance) P-C4' energy: -62.550
flat angles C4'-P-C4' energy: -61.802
flat angles P-C4'-P energy: -35.043
tors. eta vs tors. theta energy: 7.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 124
Temperature: 1.350000
Total energy: -451.721477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.721477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.721477 (E_RNA)
where:
Base-Base interactions energy: -227.530
where: short stacking energy: -127.956
Base-Backbone interact. energy: 3.767
local terms energy: -227.957846
where:
bonds (distance) C4'-P energy: -58.703
bonds (distance) P-C4' energy: -59.962
flat angles C4'-P-C4' energy: -66.078
flat angles P-C4'-P energy: -36.350
tors. eta vs tors. theta energy: -6.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 125
Temperature: 0.900000
Total energy: -1417.898267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1417.898267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1417.898267 (E_RNA)
where:
Base-Base interactions energy: -1008.293
where: short stacking energy: -418.110
Base-Backbone interact. energy: -1.811
local terms energy: -407.794474
where:
bonds (distance) C4'-P energy: -69.693
bonds (distance) P-C4' energy: -82.661
flat angles C4'-P-C4' energy: -80.209
flat angles P-C4'-P energy: -55.060
tors. eta vs tors. theta energy: -120.171
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: 2, replica: 3
=====================================
Write number: 125
Temperature: 0.950000
Total energy: -1299.975974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1299.975974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1299.975974 (E_RNA)
where:
Base-Base interactions energy: -897.804
where: short stacking energy: -407.724
Base-Backbone interact. energy: 0.082
local terms energy: -402.254478
where:
bonds (distance) C4'-P energy: -71.033
bonds (distance) P-C4' energy: -76.584
flat angles C4'-P-C4' energy: -83.571
flat angles P-C4'-P energy: -56.765
tors. eta vs tors. theta energy: -114.301
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: 9
=====================================
Write number: 125
Temperature: 1.000000
Total energy: -1227.572241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1227.572241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1227.572241 (E_RNA)
where:
Base-Base interactions energy: -832.662
where: short stacking energy: -358.354
Base-Backbone interact. energy: -3.397
local terms energy: -391.512926
where:
bonds (distance) C4'-P energy: -63.788
bonds (distance) P-C4' energy: -89.874
flat angles C4'-P-C4' energy: -83.186
flat angles P-C4'-P energy: -50.334
tors. eta vs tors. theta energy: -104.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 125
Temperature: 1.050000
Total energy: -1102.907782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1102.907782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1102.907782 (E_RNA)
where:
Base-Base interactions energy: -722.719
where: short stacking energy: -326.074
Base-Backbone interact. energy: -1.022
local terms energy: -379.167049
where:
bonds (distance) C4'-P energy: -73.799
bonds (distance) P-C4' energy: -79.273
flat angles C4'-P-C4' energy: -89.394
flat angles P-C4'-P energy: -44.810
tors. eta vs tors. theta energy: -91.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 125
Temperature: 1.100000
Total energy: -1072.599798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1072.599798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1072.599798 (E_RNA)
where:
Base-Base interactions energy: -724.747
where: short stacking energy: -334.935
Base-Backbone interact. energy: -1.381
local terms energy: -346.472053
where:
bonds (distance) C4'-P energy: -66.140
bonds (distance) P-C4' energy: -75.582
flat angles C4'-P-C4' energy: -71.627
flat angles P-C4'-P energy: -45.037
tors. eta vs tors. theta energy: -88.086
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: 10
=====================================
Write number: 125
Temperature: 1.150000
Total energy: -1004.699291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1004.699291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1004.699291 (E_RNA)
where:
Base-Base interactions energy: -666.710
where: short stacking energy: -290.911
Base-Backbone interact. energy: 0.163
local terms energy: -338.152028
where:
bonds (distance) C4'-P energy: -72.144
bonds (distance) P-C4' energy: -75.389
flat angles C4'-P-C4' energy: -73.279
flat angles P-C4'-P energy: -51.155
tors. eta vs tors. theta energy: -66.185
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: 5
=====================================
Write number: 125
Temperature: 1.200000
Total energy: -940.779433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -940.779433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -940.779433 (E_RNA)
where:
Base-Base interactions energy: -637.954
where: short stacking energy: -266.674
Base-Backbone interact. energy: -0.244
local terms energy: -302.582051
where:
bonds (distance) C4'-P energy: -64.821
bonds (distance) P-C4' energy: -55.104
flat angles C4'-P-C4' energy: -77.741
flat angles P-C4'-P energy: -44.323
tors. eta vs tors. theta energy: -60.594
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: 4
=====================================
Write number: 125
Temperature: 1.250000
Total energy: -598.803373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -598.803373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -598.803373 (E_RNA)
where:
Base-Base interactions energy: -343.622
where: short stacking energy: -171.062
Base-Backbone interact. energy: -1.310
local terms energy: -253.871159
where:
bonds (distance) C4'-P energy: -50.101
bonds (distance) P-C4' energy: -73.754
flat angles C4'-P-C4' energy: -59.445
flat angles P-C4'-P energy: -41.685
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: 9, replica: 6
=====================================
Write number: 125
Temperature: 1.300000
Total energy: -619.271406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -619.271406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -619.271406 (E_RNA)
where:
Base-Base interactions energy: -355.160
where: short stacking energy: -157.101
Base-Backbone interact. energy: -1.620
local terms energy: -262.490869
where:
bonds (distance) C4'-P energy: -66.490
bonds (distance) P-C4' energy: -72.345
flat angles C4'-P-C4' energy: -57.871
flat angles P-C4'-P energy: -50.732
tors. eta vs tors. theta energy: -15.053
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: 2
=====================================
Write number: 125
Temperature: 1.350000
Total energy: -399.626213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.626213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.626213 (E_RNA)
where:
Base-Base interactions energy: -179.107
where: short stacking energy: -121.900
Base-Backbone interact. energy: 5.743
local terms energy: -226.262045
where:
bonds (distance) C4'-P energy: -64.026
bonds (distance) P-C4' energy: -65.994
flat angles C4'-P-C4' energy: -62.555
flat angles P-C4'-P energy: -43.384
tors. eta vs tors. theta energy: 9.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 126
Temperature: 0.900000
Total energy: -1418.867482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1418.867482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1418.867482 (E_RNA)
where:
Base-Base interactions energy: -1012.962
where: short stacking energy: -405.463
Base-Backbone interact. energy: -3.042
local terms energy: -402.863347
where:
bonds (distance) C4'-P energy: -69.260
bonds (distance) P-C4' energy: -78.072
flat angles C4'-P-C4' energy: -85.849
flat angles P-C4'-P energy: -58.502
tors. eta vs tors. theta energy: -111.180
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: 3
=====================================
Write number: 126
Temperature: 0.950000
Total energy: -1282.424668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1282.424668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1282.424668 (E_RNA)
where:
Base-Base interactions energy: -885.058
where: short stacking energy: -371.613
Base-Backbone interact. energy: -1.534
local terms energy: -395.832312
where:
bonds (distance) C4'-P energy: -79.325
bonds (distance) P-C4' energy: -71.039
flat angles C4'-P-C4' energy: -94.911
flat angles P-C4'-P energy: -44.089
tors. eta vs tors. theta energy: -106.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 126
Temperature: 1.000000
Total energy: -1232.509441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1232.509441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1232.509441 (E_RNA)
where:
Base-Base interactions energy: -865.335
where: short stacking energy: -363.755
Base-Backbone interact. energy: -1.885
local terms energy: -365.711176
where:
bonds (distance) C4'-P energy: -66.371
bonds (distance) P-C4' energy: -60.379
flat angles C4'-P-C4' energy: -85.637
flat angles P-C4'-P energy: -48.917
tors. eta vs tors. theta energy: -104.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.422 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 126
Temperature: 1.050000
Total energy: -1080.287582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1080.287582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1080.287582 (E_RNA)
where:
Base-Base interactions energy: -726.017
where: short stacking energy: -336.388
Base-Backbone interact. energy: -0.751
local terms energy: -353.519228
where:
bonds (distance) C4'-P energy: -77.460
bonds (distance) P-C4' energy: -69.856
flat angles C4'-P-C4' energy: -75.004
flat angles P-C4'-P energy: -48.416
tors. eta vs tors. theta energy: -82.782
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: 10
=====================================
Write number: 126
Temperature: 1.100000
Total energy: -1077.623199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1077.623199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1077.623199 (E_RNA)
where:
Base-Base interactions energy: -728.731
where: short stacking energy: -305.994
Base-Backbone interact. energy: -1.842
local terms energy: -347.049946
where:
bonds (distance) C4'-P energy: -65.498
bonds (distance) P-C4' energy: -69.939
flat angles C4'-P-C4' energy: -83.668
flat angles P-C4'-P energy: -47.556
tors. eta vs tors. theta energy: -80.389
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: 8
=====================================
Write number: 126
Temperature: 1.150000
Total energy: -1057.540376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1057.540376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1057.540376 (E_RNA)
where:
Base-Base interactions energy: -708.750
where: short stacking energy: -327.394
Base-Backbone interact. energy: -0.996
local terms energy: -347.794327
where:
bonds (distance) C4'-P energy: -66.566
bonds (distance) P-C4' energy: -73.237
flat angles C4'-P-C4' energy: -77.768
flat angles P-C4'-P energy: -48.767
tors. eta vs tors. theta energy: -81.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 126
Temperature: 1.200000
Total energy: -933.385691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -933.385691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -933.385691 (E_RNA)
where:
Base-Base interactions energy: -608.007
where: short stacking energy: -273.983
Base-Backbone interact. energy: -3.262
local terms energy: -322.117386
where:
bonds (distance) C4'-P energy: -66.541
bonds (distance) P-C4' energy: -73.191
flat angles C4'-P-C4' energy: -77.720
flat angles P-C4'-P energy: -41.568
tors. eta vs tors. theta energy: -63.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 126
Temperature: 1.250000
Total energy: -593.274234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -593.274234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -593.274234 (E_RNA)
where:
Base-Base interactions energy: -342.680
where: short stacking energy: -179.919
Base-Backbone interact. energy: -1.967
local terms energy: -248.627066
where:
bonds (distance) C4'-P energy: -60.516
bonds (distance) P-C4' energy: -68.429
flat angles C4'-P-C4' energy: -63.684
flat angles P-C4'-P energy: -40.352
tors. eta vs tors. theta energy: -15.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 126
Temperature: 1.300000
Total energy: -615.544972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -615.544972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -615.544972 (E_RNA)
where:
Base-Base interactions energy: -388.579
where: short stacking energy: -188.923
Base-Backbone interact. energy: -0.397
local terms energy: -226.569634
where:
bonds (distance) C4'-P energy: -59.761
bonds (distance) P-C4' energy: -50.525
flat angles C4'-P-C4' energy: -56.848
flat angles P-C4'-P energy: -40.650
tors. eta vs tors. theta energy: -18.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 126
Temperature: 1.350000
Total energy: -416.841763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.841763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.841763 (E_RNA)
where:
Base-Base interactions energy: -219.446
where: short stacking energy: -110.856
Base-Backbone interact. energy: 1.650
local terms energy: -199.045828
where:
bonds (distance) C4'-P energy: -58.735
bonds (distance) P-C4' energy: -51.237
flat angles C4'-P-C4' energy: -51.528
flat angles P-C4'-P energy: -34.306
tors. eta vs tors. theta energy: -3.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 127
Temperature: 0.900000
Total energy: -1426.046234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1426.046234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1426.046234 (E_RNA)
where:
Base-Base interactions energy: -991.460
where: short stacking energy: -414.047
Base-Backbone interact. energy: -2.342
local terms energy: -432.244624
where:
bonds (distance) C4'-P energy: -75.536
bonds (distance) P-C4' energy: -85.304
flat angles C4'-P-C4' energy: -79.880
flat angles P-C4'-P energy: -71.000
tors. eta vs tors. theta energy: -120.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 127
Temperature: 0.950000
Total energy: -1270.183453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1270.183453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1270.183453 (E_RNA)
where:
Base-Base interactions energy: -870.112
where: short stacking energy: -374.105
Base-Backbone interact. energy: -1.475
local terms energy: -398.596473
where:
bonds (distance) C4'-P energy: -77.729
bonds (distance) P-C4' energy: -71.443
flat angles C4'-P-C4' energy: -87.459
flat angles P-C4'-P energy: -55.464
tors. eta vs tors. theta energy: -106.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 127
Temperature: 1.000000
Total energy: -1274.450696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1274.450696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1274.450696 (E_RNA)
where:
Base-Base interactions energy: -882.742
where: short stacking energy: -391.858
Base-Backbone interact. energy: 0.897
local terms energy: -392.605931
where:
bonds (distance) C4'-P energy: -66.612
bonds (distance) P-C4' energy: -76.113
flat angles C4'-P-C4' energy: -78.662
flat angles P-C4'-P energy: -51.917
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: 4, replica: 1
=====================================
Write number: 127
Temperature: 1.050000
Total energy: -1064.996985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1064.996985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1064.996985 (E_RNA)
where:
Base-Base interactions energy: -697.043
where: short stacking energy: -317.935
Base-Backbone interact. energy: 0.549
local terms energy: -368.502449
where:
bonds (distance) C4'-P energy: -69.634
bonds (distance) P-C4' energy: -77.865
flat angles C4'-P-C4' energy: -78.051
flat angles P-C4'-P energy: -56.829
tors. eta vs tors. theta energy: -86.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 127
Temperature: 1.100000
Total energy: -1074.726581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1074.726581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1074.726581 (E_RNA)
where:
Base-Base interactions energy: -714.064
where: short stacking energy: -311.035
Base-Backbone interact. energy: 1.376
local terms energy: -362.038869
where:
bonds (distance) C4'-P energy: -68.302
bonds (distance) P-C4' energy: -75.896
flat angles C4'-P-C4' energy: -85.197
flat angles P-C4'-P energy: -53.580
tors. eta vs tors. theta energy: -79.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 127
Temperature: 1.150000
Total energy: -1023.191220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1023.191220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1023.191220 (E_RNA)
where:
Base-Base interactions energy: -683.390
where: short stacking energy: -299.792
Base-Backbone interact. energy: 0.268
local terms energy: -340.069089
where:
bonds (distance) C4'-P energy: -56.136
bonds (distance) P-C4' energy: -70.672
flat angles C4'-P-C4' energy: -79.090
flat angles P-C4'-P energy: -52.882
tors. eta vs tors. theta energy: -81.290
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: 7, replica: 5
=====================================
Write number: 127
Temperature: 1.200000
Total energy: -946.992474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -946.992474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -946.992474 (E_RNA)
where:
Base-Base interactions energy: -617.849
where: short stacking energy: -268.571
Base-Backbone interact. energy: 0.203
local terms energy: -329.346373
where:
bonds (distance) C4'-P energy: -70.144
bonds (distance) P-C4' energy: -62.985
flat angles C4'-P-C4' energy: -86.723
flat angles P-C4'-P energy: -43.269
tors. eta vs tors. theta energy: -66.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 127
Temperature: 1.250000
Total energy: -634.265163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -634.265163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -634.265163 (E_RNA)
where:
Base-Base interactions energy: -380.952
where: short stacking energy: -181.316
Base-Backbone interact. energy: 0.389
local terms energy: -253.701942
where:
bonds (distance) C4'-P energy: -57.835
bonds (distance) P-C4' energy: -64.743
flat angles C4'-P-C4' energy: -70.144
flat angles P-C4'-P energy: -32.504
tors. eta vs tors. theta energy: -28.475
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: 4
=====================================
Write number: 127
Temperature: 1.300000
Total energy: -541.944042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.944042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.944042 (E_RNA)
where:
Base-Base interactions energy: -280.266
where: short stacking energy: -148.796
Base-Backbone interact. energy: -0.677
local terms energy: -261.001626
where:
bonds (distance) C4'-P energy: -70.410
bonds (distance) P-C4' energy: -66.798
flat angles C4'-P-C4' energy: -62.933
flat angles P-C4'-P energy: -49.670
tors. eta vs tors. theta energy: -11.190
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: 2
=====================================
Write number: 127
Temperature: 1.350000
Total energy: -479.038707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.038707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.038707 (E_RNA)
where:
Base-Base interactions energy: -270.776
where: short stacking energy: -135.492
Base-Backbone interact. energy: 3.101
local terms energy: -211.378926
where:
bonds (distance) C4'-P energy: -65.083
bonds (distance) P-C4' energy: -69.802
flat angles C4'-P-C4' energy: -51.564
flat angles P-C4'-P energy: -37.197
tors. eta vs tors. theta energy: 12.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.015 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 128
Temperature: 0.900000
Total energy: -1439.973591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1439.973591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1439.973591 (E_RNA)
where:
Base-Base interactions energy: -992.232
where: short stacking energy: -404.481
Base-Backbone interact. energy: -1.446
local terms energy: -446.295530
where:
bonds (distance) C4'-P energy: -81.149
bonds (distance) P-C4' energy: -81.172
flat angles C4'-P-C4' energy: -92.984
flat angles P-C4'-P energy: -72.575
tors. eta vs tors. theta energy: -118.416
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: 9
=====================================
Write number: 128
Temperature: 0.950000
Total energy: -1259.880277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1259.880277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1259.880277 (E_RNA)
where:
Base-Base interactions energy: -858.546
where: short stacking energy: -356.268
Base-Backbone interact. energy: -1.356
local terms energy: -399.977564
where:
bonds (distance) C4'-P energy: -68.896
bonds (distance) P-C4' energy: -85.625
flat angles C4'-P-C4' energy: -83.863
flat angles P-C4'-P energy: -58.824
tors. eta vs tors. theta energy: -102.770
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: 3, replica: 3
=====================================
Write number: 128
Temperature: 1.000000
Total energy: -1268.063824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1268.063824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1268.063824 (E_RNA)
where:
Base-Base interactions energy: -872.121
where: short stacking energy: -383.132
Base-Backbone interact. energy: 0.388
local terms energy: -396.331084
where:
bonds (distance) C4'-P energy: -78.265
bonds (distance) P-C4' energy: -71.149
flat angles C4'-P-C4' energy: -78.833
flat angles P-C4'-P energy: -51.357
tors. eta vs tors. theta energy: -116.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 128
Temperature: 1.050000
Total energy: -1125.025219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1125.025219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1125.025219 (E_RNA)
where:
Base-Base interactions energy: -769.033
where: short stacking energy: -336.924
Base-Backbone interact. energy: -2.269
local terms energy: -353.724033
where:
bonds (distance) C4'-P energy: -73.597
bonds (distance) P-C4' energy: -74.882
flat angles C4'-P-C4' energy: -69.134
flat angles P-C4'-P energy: -49.995
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: 5, replica: 10
=====================================
Write number: 128
Temperature: 1.100000
Total energy: -1063.626823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1063.626823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1063.626823 (E_RNA)
where:
Base-Base interactions energy: -728.625
where: short stacking energy: -285.535
Base-Backbone interact. energy: 0.603
local terms energy: -335.605206
where:
bonds (distance) C4'-P energy: -80.347
bonds (distance) P-C4' energy: -71.676
flat angles C4'-P-C4' energy: -65.792
flat angles P-C4'-P energy: -47.412
tors. eta vs tors. theta energy: -70.378
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: 8
=====================================
Write number: 128
Temperature: 1.150000
Total energy: -1006.517306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1006.517306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1006.517306 (E_RNA)
where:
Base-Base interactions energy: -684.572
where: short stacking energy: -304.390
Base-Backbone interact. energy: -1.231
local terms energy: -320.714444
where:
bonds (distance) C4'-P energy: -73.861
bonds (distance) P-C4' energy: -69.690
flat angles C4'-P-C4' energy: -69.466
flat angles P-C4'-P energy: -39.903
tors. eta vs tors. theta energy: -67.794
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: 5
=====================================
Write number: 128
Temperature: 1.200000
Total energy: -913.640819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -913.640819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -913.640819 (E_RNA)
where:
Base-Base interactions energy: -622.546
where: short stacking energy: -260.106
Base-Backbone interact. energy: -0.591
local terms energy: -290.503928
where:
bonds (distance) C4'-P energy: -50.772
bonds (distance) P-C4' energy: -70.098
flat angles C4'-P-C4' energy: -65.024
flat angles P-C4'-P energy: -41.037
tors. eta vs tors. theta energy: -63.572
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: 8, replica: 6
=====================================
Write number: 128
Temperature: 1.250000
Total energy: -663.847027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -663.847027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -663.847027 (E_RNA)
where:
Base-Base interactions energy: -377.440
where: short stacking energy: -171.035
Base-Backbone interact. energy: -0.375
local terms energy: -286.031809
where:
bonds (distance) C4'-P energy: -63.504
bonds (distance) P-C4' energy: -73.986
flat angles C4'-P-C4' energy: -71.221
flat angles P-C4'-P energy: -44.684
tors. eta vs tors. theta energy: -32.636
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: 2
=====================================
Write number: 128
Temperature: 1.300000
Total energy: -532.353075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.353075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.353075 (E_RNA)
where:
Base-Base interactions energy: -295.228
where: short stacking energy: -126.972
Base-Backbone interact. energy: 0.170
local terms energy: -237.295173
where:
bonds (distance) C4'-P energy: -70.534
bonds (distance) P-C4' energy: -71.461
flat angles C4'-P-C4' energy: -53.147
flat angles P-C4'-P energy: -21.053
tors. eta vs tors. theta energy: -21.099
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: 4
=====================================
Write number: 128
Temperature: 1.350000
Total energy: -486.409699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.409699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.409699 (E_RNA)
where:
Base-Base interactions energy: -265.673
where: short stacking energy: -128.134
Base-Backbone interact. energy: -1.300
local terms energy: -219.436629
where:
bonds (distance) C4'-P energy: -52.090
bonds (distance) P-C4' energy: -54.279
flat angles C4'-P-C4' energy: -68.877
flat angles P-C4'-P energy: -34.920
tors. eta vs tors. theta energy: -9.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 129
Temperature: 0.900000
Total energy: -1417.670790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1417.670790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1417.670790 (E_RNA)
where:
Base-Base interactions energy: -986.809
where: short stacking energy: -407.541
Base-Backbone interact. energy: -1.963
local terms energy: -428.898707
where:
bonds (distance) C4'-P energy: -75.907
bonds (distance) P-C4' energy: -83.355
flat angles C4'-P-C4' energy: -91.720
flat angles P-C4'-P energy: -59.999
tors. eta vs tors. theta energy: -117.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 129
Temperature: 0.950000
Total energy: -1293.439836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1293.439836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1293.439836 (E_RNA)
where:
Base-Base interactions energy: -879.642
where: short stacking energy: -381.086
Base-Backbone interact. energy: -0.982
local terms energy: -412.816216
where:
bonds (distance) C4'-P energy: -73.495
bonds (distance) P-C4' energy: -71.484
flat angles C4'-P-C4' energy: -88.716
flat angles P-C4'-P energy: -59.262
tors. eta vs tors. theta energy: -119.860
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: 9
=====================================
Write number: 129
Temperature: 1.000000
Total energy: -1253.608712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1253.608712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1253.608712 (E_RNA)
where:
Base-Base interactions energy: -873.678
where: short stacking energy: -375.319
Base-Backbone interact. energy: -1.283
local terms energy: -378.647850
where:
bonds (distance) C4'-P energy: -68.219
bonds (distance) P-C4' energy: -67.460
flat angles C4'-P-C4' energy: -79.833
flat angles P-C4'-P energy: -52.654
tors. eta vs tors. theta energy: -110.482
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: 4, replica: 1
=====================================
Write number: 129
Temperature: 1.050000
Total energy: -1133.126881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1133.126881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1133.126881 (E_RNA)
where:
Base-Base interactions energy: -779.966
where: short stacking energy: -341.885
Base-Backbone interact. energy: 0.494
local terms energy: -353.654092
where:
bonds (distance) C4'-P energy: -75.601
bonds (distance) P-C4' energy: -62.099
flat angles C4'-P-C4' energy: -72.072
flat angles P-C4'-P energy: -47.782
tors. eta vs tors. theta energy: -96.100
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: 5, replica: 10
=====================================
Write number: 129
Temperature: 1.100000
Total energy: -1057.016157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1057.016157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1057.016157 (E_RNA)
where:
Base-Base interactions energy: -702.620
where: short stacking energy: -311.359
Base-Backbone interact. energy: -2.605
local terms energy: -351.791523
where:
bonds (distance) C4'-P energy: -69.421
bonds (distance) P-C4' energy: -87.671
flat angles C4'-P-C4' energy: -66.652
flat angles P-C4'-P energy: -57.686
tors. eta vs tors. theta energy: -70.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 129
Temperature: 1.150000
Total energy: -1035.700890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1035.700890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1035.700890 (E_RNA)
where:
Base-Base interactions energy: -670.898
where: short stacking energy: -326.150
Base-Backbone interact. energy: 0.961
local terms energy: -365.764478
where:
bonds (distance) C4'-P energy: -68.333
bonds (distance) P-C4' energy: -63.869
flat angles C4'-P-C4' energy: -87.484
flat angles P-C4'-P energy: -49.595
tors. eta vs tors. theta energy: -96.484
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: 7, replica: 5
=====================================
Write number: 129
Temperature: 1.200000
Total energy: -932.187287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -932.187287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -932.187287 (E_RNA)
where:
Base-Base interactions energy: -632.209
where: short stacking energy: -269.333
Base-Backbone interact. energy: 1.021
local terms energy: -300.999586
where:
bonds (distance) C4'-P energy: -74.771
bonds (distance) P-C4' energy: -62.387
flat angles C4'-P-C4' energy: -59.654
flat angles P-C4'-P energy: -51.585
tors. eta vs tors. theta energy: -52.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 129
Temperature: 1.250000
Total energy: -641.883821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -641.883821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -641.883821 (E_RNA)
where:
Base-Base interactions energy: -360.346
where: short stacking energy: -171.883
Base-Backbone interact. energy: 2.536
local terms energy: -284.073999
where:
bonds (distance) C4'-P energy: -74.805
bonds (distance) P-C4' energy: -69.013
flat angles C4'-P-C4' energy: -72.841
flat angles P-C4'-P energy: -38.653
tors. eta vs tors. theta energy: -28.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 129
Temperature: 1.300000
Total energy: -560.126290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.126290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.126290 (E_RNA)
where:
Base-Base interactions energy: -309.543
where: short stacking energy: -157.080
Base-Backbone interact. energy: 1.598
local terms energy: -252.181491
where:
bonds (distance) C4'-P energy: -58.958
bonds (distance) P-C4' energy: -71.194
flat angles C4'-P-C4' energy: -82.092
flat angles P-C4'-P energy: -18.550
tors. eta vs tors. theta energy: -21.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 129
Temperature: 1.350000
Total energy: -469.801731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.801731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.801731 (E_RNA)
where:
Base-Base interactions energy: -258.476
where: short stacking energy: -134.512
Base-Backbone interact. energy: 3.847
local terms energy: -215.172831
where:
bonds (distance) C4'-P energy: -66.300
bonds (distance) P-C4' energy: -66.296
flat angles C4'-P-C4' energy: -54.034
flat angles P-C4'-P energy: -31.930
tors. eta vs tors. theta energy: 3.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 130
Temperature: 0.900000
Total energy: -1433.341588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1433.341588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1433.341588 (E_RNA)
where:
Base-Base interactions energy: -991.362
where: short stacking energy: -413.114
Base-Backbone interact. energy: -1.451
local terms energy: -440.882316
where:
bonds (distance) C4'-P energy: -86.959
bonds (distance) P-C4' energy: -82.284
flat angles C4'-P-C4' energy: -87.272
flat angles P-C4'-P energy: -60.517
tors. eta vs tors. theta energy: -123.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.354 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 130
Temperature: 0.950000
Total energy: -1292.894614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1292.894614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1292.894614 (E_RNA)
where:
Base-Base interactions energy: -885.397
where: short stacking energy: -402.240
Base-Backbone interact. energy: -1.116
local terms energy: -406.381585
where:
bonds (distance) C4'-P energy: -63.065
bonds (distance) P-C4' energy: -77.919
flat angles C4'-P-C4' energy: -84.030
flat angles P-C4'-P energy: -61.552
tors. eta vs tors. theta energy: -119.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 130
Temperature: 1.000000
Total energy: -1259.193367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1259.193367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1259.193367 (E_RNA)
where:
Base-Base interactions energy: -859.625
where: short stacking energy: -379.591
Base-Backbone interact. energy: 2.536
local terms energy: -402.104121
where:
bonds (distance) C4'-P energy: -76.077
bonds (distance) P-C4' energy: -74.386
flat angles C4'-P-C4' energy: -84.205
flat angles P-C4'-P energy: -62.337
tors. eta vs tors. theta energy: -105.100
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: 1
=====================================
Write number: 130
Temperature: 1.050000
Total energy: -1144.807773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1144.807773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1144.807773 (E_RNA)
where:
Base-Base interactions energy: -787.389
where: short stacking energy: -345.201
Base-Backbone interact. energy: 2.398
local terms energy: -359.816796
where:
bonds (distance) C4'-P energy: -79.519
bonds (distance) P-C4' energy: -64.299
flat angles C4'-P-C4' energy: -75.693
flat angles P-C4'-P energy: -54.286
tors. eta vs tors. theta energy: -86.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 130
Temperature: 1.100000
Total energy: -1066.442244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1066.442244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1066.442244 (E_RNA)
where:
Base-Base interactions energy: -692.695
where: short stacking energy: -315.813
Base-Backbone interact. energy: 4.280
local terms energy: -378.027033
where:
bonds (distance) C4'-P energy: -77.934
bonds (distance) P-C4' energy: -82.343
flat angles C4'-P-C4' energy: -81.028
flat angles P-C4'-P energy: -56.205
tors. eta vs tors. theta energy: -80.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 130
Temperature: 1.150000
Total energy: -1007.534696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1007.534696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1007.534696 (E_RNA)
where:
Base-Base interactions energy: -684.706
where: short stacking energy: -300.474
Base-Backbone interact. energy: -0.588
local terms energy: -322.241212
where:
bonds (distance) C4'-P energy: -58.755
bonds (distance) P-C4' energy: -72.349
flat angles C4'-P-C4' energy: -74.682
flat angles P-C4'-P energy: -48.582
tors. eta vs tors. theta energy: -67.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 130
Temperature: 1.200000
Total energy: -942.663642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -942.663642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -942.663642 (E_RNA)
where:
Base-Base interactions energy: -636.303
where: short stacking energy: -273.115
Base-Backbone interact. energy: -1.266
local terms energy: -305.094235
where:
bonds (distance) C4'-P energy: -60.195
bonds (distance) P-C4' energy: -71.518
flat angles C4'-P-C4' energy: -67.924
flat angles P-C4'-P energy: -41.654
tors. eta vs tors. theta energy: -63.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 130
Temperature: 1.250000
Total energy: -608.698812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -608.698812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -608.698812 (E_RNA)
where:
Base-Base interactions energy: -346.497
where: short stacking energy: -168.359
Base-Backbone interact. energy: 2.126
local terms energy: -264.327793
where:
bonds (distance) C4'-P energy: -66.617
bonds (distance) P-C4' energy: -68.395
flat angles C4'-P-C4' energy: -63.860
flat angles P-C4'-P energy: -38.982
tors. eta vs tors. theta energy: -26.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 130
Temperature: 1.300000
Total energy: -595.177770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -595.177770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -595.177770 (E_RNA)
where:
Base-Base interactions energy: -346.663
where: short stacking energy: -161.446
Base-Backbone interact. energy: -0.328
local terms energy: -248.187442
where:
bonds (distance) C4'-P energy: -62.623
bonds (distance) P-C4' energy: -71.860
flat angles C4'-P-C4' energy: -63.314
flat angles P-C4'-P energy: -34.793
tors. eta vs tors. theta energy: -15.598
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: 130
Temperature: 1.350000
Total energy: -428.197723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.197723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.197723 (E_RNA)
where:
Base-Base interactions energy: -194.551
where: short stacking energy: -124.098
Base-Backbone interact. energy: 1.304
local terms energy: -234.951010
where:
bonds (distance) C4'-P energy: -56.001
bonds (distance) P-C4' energy: -74.185
flat angles C4'-P-C4' energy: -61.721
flat angles P-C4'-P energy: -33.191
tors. eta vs tors. theta energy: -9.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 131
Temperature: 0.900000
Total energy: -1418.827288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1418.827288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1418.827288 (E_RNA)
where:
Base-Base interactions energy: -994.331
where: short stacking energy: -425.129
Base-Backbone interact. energy: -1.900
local terms energy: -422.595552
where:
bonds (distance) C4'-P energy: -69.885
bonds (distance) P-C4' energy: -81.430
flat angles C4'-P-C4' energy: -87.780
flat angles P-C4'-P energy: -66.032
tors. eta vs tors. theta energy: -117.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 131
Temperature: 0.950000
Total energy: -1292.545220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1292.545220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1292.545220 (E_RNA)
where:
Base-Base interactions energy: -879.838
where: short stacking energy: -370.079
Base-Backbone interact. energy: 1.051
local terms energy: -413.758031
where:
bonds (distance) C4'-P energy: -85.867
bonds (distance) P-C4' energy: -81.692
flat angles C4'-P-C4' energy: -83.888
flat angles P-C4'-P energy: -58.745
tors. eta vs tors. theta energy: -103.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 131
Temperature: 1.000000
Total energy: -1278.484250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1278.484250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1278.484250 (E_RNA)
where:
Base-Base interactions energy: -869.137
where: short stacking energy: -376.798
Base-Backbone interact. energy: -0.042
local terms energy: -409.305117
where:
bonds (distance) C4'-P energy: -72.030
bonds (distance) P-C4' energy: -80.990
flat angles C4'-P-C4' energy: -90.456
flat angles P-C4'-P energy: -49.186
tors. eta vs tors. theta energy: -116.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 131
Temperature: 1.050000
Total energy: -1141.140601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1141.140601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1141.140601 (E_RNA)
where:
Base-Base interactions energy: -761.644
where: short stacking energy: -339.420
Base-Backbone interact. energy: 2.346
local terms energy: -381.842389
where:
bonds (distance) C4'-P energy: -76.685
bonds (distance) P-C4' energy: -70.594
flat angles C4'-P-C4' energy: -85.555
flat angles P-C4'-P energy: -54.215
tors. eta vs tors. theta energy: -94.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 131
Temperature: 1.100000
Total energy: -1079.862443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1079.862443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1079.862443 (E_RNA)
where:
Base-Base interactions energy: -706.960
where: short stacking energy: -324.246
Base-Backbone interact. energy: -1.946
local terms energy: -370.955692
where:
bonds (distance) C4'-P energy: -74.862
bonds (distance) P-C4' energy: -71.983
flat angles C4'-P-C4' energy: -73.260
flat angles P-C4'-P energy: -58.278
tors. eta vs tors. theta energy: -92.572
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: 6, replica: 10
=====================================
Write number: 131
Temperature: 1.150000
Total energy: -1015.766663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1015.766663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1015.766663 (E_RNA)
where:
Base-Base interactions energy: -692.187
where: short stacking energy: -310.629
Base-Backbone interact. energy: -1.025
local terms energy: -322.555013
where:
bonds (distance) C4'-P energy: -56.981
bonds (distance) P-C4' energy: -75.004
flat angles C4'-P-C4' energy: -74.705
flat angles P-C4'-P energy: -48.928
tors. eta vs tors. theta energy: -66.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 131
Temperature: 1.200000
Total energy: -1016.892289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1016.892289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1016.892289 (E_RNA)
where:
Base-Base interactions energy: -679.182
where: short stacking energy: -303.709
Base-Backbone interact. energy: -1.695
local terms energy: -336.015808
where:
bonds (distance) C4'-P energy: -74.309
bonds (distance) P-C4' energy: -64.964
flat angles C4'-P-C4' energy: -77.819
flat angles P-C4'-P energy: -45.563
tors. eta vs tors. theta energy: -73.360
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: 2
=====================================
Write number: 131
Temperature: 1.250000
Total energy: -634.418848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -634.418848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -634.418848 (E_RNA)
where:
Base-Base interactions energy: -373.564
where: short stacking energy: -197.618
Base-Backbone interact. energy: -1.538
local terms energy: -259.316643
where:
bonds (distance) C4'-P energy: -51.103
bonds (distance) P-C4' energy: -79.377
flat angles C4'-P-C4' energy: -48.128
flat angles P-C4'-P energy: -45.903
tors. eta vs tors. theta energy: -34.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 131
Temperature: 1.300000
Total energy: -576.369215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -576.369215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -576.369215 (E_RNA)
where:
Base-Base interactions energy: -325.019
where: short stacking energy: -163.720
Base-Backbone interact. energy: 1.170
local terms energy: -252.520284
where:
bonds (distance) C4'-P energy: -70.102
bonds (distance) P-C4' energy: -63.226
flat angles C4'-P-C4' energy: -59.428
flat angles P-C4'-P energy: -41.601
tors. eta vs tors. theta energy: -18.164
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: 131
Temperature: 1.350000
Total energy: -442.797777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.797777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.797777 (E_RNA)
where:
Base-Base interactions energy: -235.176
where: short stacking energy: -123.419
Base-Backbone interact. energy: -1.489
local terms energy: -206.132937
where:
bonds (distance) C4'-P energy: -60.291
bonds (distance) P-C4' energy: -59.836
flat angles C4'-P-C4' energy: -55.291
flat angles P-C4'-P energy: -36.380
tors. eta vs tors. theta energy: 5.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 132
Temperature: 0.900000
Total energy: -1430.051927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1430.051927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1430.051927 (E_RNA)
where:
Base-Base interactions energy: -988.905
where: short stacking energy: -413.671
Base-Backbone interact. energy: -1.591
local terms energy: -439.555221
where:
bonds (distance) C4'-P energy: -77.677
bonds (distance) P-C4' energy: -80.755
flat angles C4'-P-C4' energy: -93.868
flat angles P-C4'-P energy: -66.808
tors. eta vs tors. theta energy: -120.447
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: 9
=====================================
Write number: 132
Temperature: 0.950000
Total energy: -1282.021763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1282.021763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1282.021763 (E_RNA)
where:
Base-Base interactions energy: -876.192
where: short stacking energy: -389.952
Base-Backbone interact. energy: 2.505
local terms energy: -408.334352
where:
bonds (distance) C4'-P energy: -74.465
bonds (distance) P-C4' energy: -78.705
flat angles C4'-P-C4' energy: -90.906
flat angles P-C4'-P energy: -65.421
tors. eta vs tors. theta energy: -98.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 132
Temperature: 1.000000
Total energy: -1272.426701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1272.426701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1272.426701 (E_RNA)
where:
Base-Base interactions energy: -861.981
where: short stacking energy: -406.182
Base-Backbone interact. energy: -2.832
local terms energy: -407.612869
where:
bonds (distance) C4'-P energy: -75.574
bonds (distance) P-C4' energy: -68.771
flat angles C4'-P-C4' energy: -88.594
flat angles P-C4'-P energy: -56.450
tors. eta vs tors. theta energy: -118.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 132
Temperature: 1.050000
Total energy: -1143.571336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1143.571336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1143.571336 (E_RNA)
where:
Base-Base interactions energy: -769.984
where: short stacking energy: -332.823
Base-Backbone interact. energy: -1.790
local terms energy: -371.798037
where:
bonds (distance) C4'-P energy: -80.040
bonds (distance) P-C4' energy: -75.093
flat angles C4'-P-C4' energy: -70.282
flat angles P-C4'-P energy: -48.440
tors. eta vs tors. theta energy: -97.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 132
Temperature: 1.100000
Total energy: -1067.310362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1067.310362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1067.310362 (E_RNA)
where:
Base-Base interactions energy: -722.876
where: short stacking energy: -313.767
Base-Backbone interact. energy: 4.514
local terms energy: -348.948381
where:
bonds (distance) C4'-P energy: -61.134
bonds (distance) P-C4' energy: -81.037
flat angles C4'-P-C4' energy: -75.767
flat angles P-C4'-P energy: -49.433
tors. eta vs tors. theta energy: -81.577
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: 6, replica: 8
=====================================
Write number: 132
Temperature: 1.150000
Total energy: -1008.442767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1008.442767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1008.442767 (E_RNA)
where:
Base-Base interactions energy: -676.255
where: short stacking energy: -314.422
Base-Backbone interact. energy: -0.775
local terms energy: -331.413624
where:
bonds (distance) C4'-P energy: -66.036
bonds (distance) P-C4' energy: -62.909
flat angles C4'-P-C4' energy: -71.525
flat angles P-C4'-P energy: -49.480
tors. eta vs tors. theta energy: -81.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 132
Temperature: 1.200000
Total energy: -978.516650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -978.516650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -978.516650 (E_RNA)
where:
Base-Base interactions energy: -667.620
where: short stacking energy: -292.176
Base-Backbone interact. energy: 0.915
local terms energy: -311.811556
where:
bonds (distance) C4'-P energy: -57.318
bonds (distance) P-C4' energy: -49.961
flat angles C4'-P-C4' energy: -73.618
flat angles P-C4'-P energy: -51.880
tors. eta vs tors. theta energy: -79.035
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: 2
=====================================
Write number: 132
Temperature: 1.250000
Total energy: -616.246685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -616.246685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -616.246685 (E_RNA)
where:
Base-Base interactions energy: -363.579
where: short stacking energy: -183.265
Base-Backbone interact. energy: -0.888
local terms energy: -251.779196
where:
bonds (distance) C4'-P energy: -60.432
bonds (distance) P-C4' energy: -70.852
flat angles C4'-P-C4' energy: -63.738
flat angles P-C4'-P energy: -36.842
tors. eta vs tors. theta energy: -19.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 132
Temperature: 1.300000
Total energy: -597.759469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -597.759469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -597.759469 (E_RNA)
where:
Base-Base interactions energy: -337.646
where: short stacking energy: -181.731
Base-Backbone interact. energy: 1.186
local terms energy: -261.299472
where:
bonds (distance) C4'-P energy: -75.657
bonds (distance) P-C4' energy: -59.312
flat angles C4'-P-C4' energy: -52.170
flat angles P-C4'-P energy: -41.604
tors. eta vs tors. theta energy: -32.556
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: 10, replica: 4
=====================================
Write number: 132
Temperature: 1.350000
Total energy: -426.349900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.349900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.349900 (E_RNA)
where:
Base-Base interactions energy: -211.675
where: short stacking energy: -116.428
Base-Backbone interact. energy: -1.863
local terms energy: -212.811614
where:
bonds (distance) C4'-P energy: -62.688
bonds (distance) P-C4' energy: -65.537
flat angles C4'-P-C4' energy: -53.137
flat angles P-C4'-P energy: -32.883
tors. eta vs tors. theta energy: 1.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 133
Temperature: 0.900000
Total energy: -1418.259563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1418.259563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1418.259563 (E_RNA)
where:
Base-Base interactions energy: -1005.367
where: short stacking energy: -417.420
Base-Backbone interact. energy: -1.713
local terms energy: -411.179662
where:
bonds (distance) C4'-P energy: -78.660
bonds (distance) P-C4' energy: -72.636
flat angles C4'-P-C4' energy: -85.045
flat angles P-C4'-P energy: -60.686
tors. eta vs tors. theta energy: -114.152
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: 2, replica: 9
=====================================
Write number: 133
Temperature: 0.950000
Total energy: -1285.514704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1285.514704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1285.514704 (E_RNA)
where:
Base-Base interactions energy: -887.785
where: short stacking energy: -387.464
Base-Backbone interact. energy: 0.446
local terms energy: -398.175181
where:
bonds (distance) C4'-P energy: -76.098
bonds (distance) P-C4' energy: -74.320
flat angles C4'-P-C4' energy: -84.094
flat angles P-C4'-P energy: -58.443
tors. eta vs tors. theta energy: -105.219
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: 3
=====================================
Write number: 133
Temperature: 1.000000
Total energy: -1290.392174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1290.392174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1290.392174 (E_RNA)
where:
Base-Base interactions energy: -865.877
where: short stacking energy: -379.082
Base-Backbone interact. energy: -1.392
local terms energy: -423.123358
where:
bonds (distance) C4'-P energy: -80.779
bonds (distance) P-C4' energy: -84.209
flat angles C4'-P-C4' energy: -88.560
flat angles P-C4'-P energy: -50.760
tors. eta vs tors. theta energy: -118.816
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: 1
=====================================
Write number: 133
Temperature: 1.050000
Total energy: -1160.372398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1160.372398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1160.372398 (E_RNA)
where:
Base-Base interactions energy: -789.337
where: short stacking energy: -327.553
Base-Backbone interact. energy: -1.251
local terms energy: -369.784738
where:
bonds (distance) C4'-P energy: -63.260
bonds (distance) P-C4' energy: -78.401
flat angles C4'-P-C4' energy: -86.164
flat angles P-C4'-P energy: -54.174
tors. eta vs tors. theta energy: -87.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 133
Temperature: 1.100000
Total energy: -1015.269339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1015.269339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1015.269339 (E_RNA)
where:
Base-Base interactions energy: -691.960
where: short stacking energy: -301.298
Base-Backbone interact. energy: -0.205
local terms energy: -323.104377
where:
bonds (distance) C4'-P energy: -64.973
bonds (distance) P-C4' energy: -70.127
flat angles C4'-P-C4' energy: -68.947
flat angles P-C4'-P energy: -55.547
tors. eta vs tors. theta energy: -63.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 133
Temperature: 1.150000
Total energy: -1042.401141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1042.401141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1042.401141 (E_RNA)
where:
Base-Base interactions energy: -707.813
where: short stacking energy: -308.108
Base-Backbone interact. energy: -1.199
local terms energy: -333.388476
where:
bonds (distance) C4'-P energy: -62.677
bonds (distance) P-C4' energy: -66.721
flat angles C4'-P-C4' energy: -78.354
flat angles P-C4'-P energy: -44.139
tors. eta vs tors. theta energy: -81.498
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: 8
=====================================
Write number: 133
Temperature: 1.200000
Total energy: -962.840646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -962.840646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -962.840646 (E_RNA)
where:
Base-Base interactions energy: -651.111
where: short stacking energy: -295.411
Base-Backbone interact. energy: -0.818
local terms energy: -310.910868
where:
bonds (distance) C4'-P energy: -62.144
bonds (distance) P-C4' energy: -66.492
flat angles C4'-P-C4' energy: -69.526
flat angles P-C4'-P energy: -47.269
tors. eta vs tors. theta energy: -65.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 133
Temperature: 1.250000
Total energy: -603.796545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -603.796545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -603.796545 (E_RNA)
where:
Base-Base interactions energy: -345.127
where: short stacking energy: -188.994
Base-Backbone interact. energy: -1.169
local terms energy: -257.500679
where:
bonds (distance) C4'-P energy: -63.869
bonds (distance) P-C4' energy: -58.243
flat angles C4'-P-C4' energy: -58.027
flat angles P-C4'-P energy: -48.225
tors. eta vs tors. theta energy: -29.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 133
Temperature: 1.300000
Total energy: -567.802836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -567.802836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -567.802836 (E_RNA)
where:
Base-Base interactions energy: -350.299
where: short stacking energy: -169.779
Base-Backbone interact. energy: 0.780
local terms energy: -218.284503
where:
bonds (distance) C4'-P energy: -59.116
bonds (distance) P-C4' energy: -56.545
flat angles C4'-P-C4' energy: -57.278
flat angles P-C4'-P energy: -31.379
tors. eta vs tors. theta energy: -13.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 133
Temperature: 1.350000
Total energy: -450.082949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.082949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.082949 (E_RNA)
where:
Base-Base interactions energy: -227.297
where: short stacking energy: -130.928
Base-Backbone interact. energy: -0.287
local terms energy: -222.498789
where:
bonds (distance) C4'-P energy: -64.983
bonds (distance) P-C4' energy: -67.676
flat angles C4'-P-C4' energy: -58.846
flat angles P-C4'-P energy: -30.652
tors. eta vs tors. theta energy: -0.343
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: 7
=====================================
Write number: 134
Temperature: 0.900000
Total energy: -1415.403059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1415.403059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1415.403059 (E_RNA)
where:
Base-Base interactions energy: -986.968
where: short stacking energy: -405.928
Base-Backbone interact. energy: 0.787
local terms energy: -429.222044
where:
bonds (distance) C4'-P energy: -72.283
bonds (distance) P-C4' energy: -81.868
flat angles C4'-P-C4' energy: -91.068
flat angles P-C4'-P energy: -66.565
tors. eta vs tors. theta energy: -117.438
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: 9
=====================================
Write number: 134
Temperature: 0.950000
Total energy: -1256.184582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1256.184582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1256.184582 (E_RNA)
where:
Base-Base interactions energy: -855.371
where: short stacking energy: -366.385
Base-Backbone interact. energy: -1.068
local terms energy: -399.745262
where:
bonds (distance) C4'-P energy: -76.072
bonds (distance) P-C4' energy: -76.160
flat angles C4'-P-C4' energy: -79.821
flat angles P-C4'-P energy: -60.635
tors. eta vs tors. theta energy: -107.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 134
Temperature: 1.000000
Total energy: -1251.293748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1251.293748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1251.293748 (E_RNA)
where:
Base-Base interactions energy: -858.570
where: short stacking energy: -385.383
Base-Backbone interact. energy: -1.252
local terms energy: -391.472379
where:
bonds (distance) C4'-P energy: -78.455
bonds (distance) P-C4' energy: -69.014
flat angles C4'-P-C4' energy: -78.619
flat angles P-C4'-P energy: -53.466
tors. eta vs tors. theta energy: -111.919
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: 1
=====================================
Write number: 134
Temperature: 1.050000
Total energy: -1163.811665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1163.811665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1163.811665 (E_RNA)
where:
Base-Base interactions energy: -806.207
where: short stacking energy: -319.310
Base-Backbone interact. energy: -0.472
local terms energy: -358.089078
where:
bonds (distance) C4'-P energy: -79.744
bonds (distance) P-C4' energy: -73.530
flat angles C4'-P-C4' energy: -65.310
flat angles P-C4'-P energy: -54.618
tors. eta vs tors. theta energy: -84.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.957 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 134
Temperature: 1.100000
Total energy: -1060.030731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1060.030731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1060.030731 (E_RNA)
where:
Base-Base interactions energy: -701.496
where: short stacking energy: -304.261
Base-Backbone interact. energy: 0.927
local terms energy: -359.460827
where:
bonds (distance) C4'-P energy: -72.354
bonds (distance) P-C4' energy: -74.301
flat angles C4'-P-C4' energy: -78.346
flat angles P-C4'-P energy: -51.041
tors. eta vs tors. theta energy: -83.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 134
Temperature: 1.150000
Total energy: -947.678744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -947.678744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -947.678744 (E_RNA)
where:
Base-Base interactions energy: -626.975
where: short stacking energy: -266.980
Base-Backbone interact. energy: -2.041
local terms energy: -319.145601
where:
bonds (distance) C4'-P energy: -70.675
bonds (distance) P-C4' energy: -76.899
flat angles C4'-P-C4' energy: -72.987
flat angles P-C4'-P energy: -42.569
tors. eta vs tors. theta energy: -56.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.483 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 134
Temperature: 1.200000
Total energy: -969.566314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -969.566314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -969.566314 (E_RNA)
where:
Base-Base interactions energy: -632.002
where: short stacking energy: -275.500
Base-Backbone interact. energy: -1.821
local terms energy: -335.743058
where:
bonds (distance) C4'-P energy: -67.902
bonds (distance) P-C4' energy: -82.683
flat angles C4'-P-C4' energy: -70.723
flat angles P-C4'-P energy: -44.980
tors. eta vs tors. theta energy: -69.454
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: 2
=====================================
Write number: 134
Temperature: 1.250000
Total energy: -602.255567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -602.255567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -602.255567 (E_RNA)
where:
Base-Base interactions energy: -345.653
where: short stacking energy: -183.330
Base-Backbone interact. energy: 0.806
local terms energy: -257.408585
where:
bonds (distance) C4'-P energy: -58.843
bonds (distance) P-C4' energy: -60.021
flat angles C4'-P-C4' energy: -71.150
flat angles P-C4'-P energy: -45.081
tors. eta vs tors. theta energy: -22.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 134
Temperature: 1.300000
Total energy: -532.006337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.006337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.006337 (E_RNA)
where:
Base-Base interactions energy: -293.755
where: short stacking energy: -134.296
Base-Backbone interact. energy: -0.511
local terms energy: -237.740605
where:
bonds (distance) C4'-P energy: -50.962
bonds (distance) P-C4' energy: -68.737
flat angles C4'-P-C4' energy: -65.082
flat angles P-C4'-P energy: -37.361
tors. eta vs tors. theta energy: -15.599
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: 134
Temperature: 1.350000
Total energy: -426.399056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.399056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.399056 (E_RNA)
where:
Base-Base interactions energy: -202.473
where: short stacking energy: -124.056
Base-Backbone interact. energy: -1.042
local terms energy: -222.884602
where:
bonds (distance) C4'-P energy: -69.253
bonds (distance) P-C4' energy: -62.454
flat angles C4'-P-C4' energy: -52.229
flat angles P-C4'-P energy: -29.670
tors. eta vs tors. theta energy: -9.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 135
Temperature: 0.900000
Total energy: -1430.823456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1430.823456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1430.823456 (E_RNA)
where:
Base-Base interactions energy: -1009.901
where: short stacking energy: -395.984
Base-Backbone interact. energy: -1.348
local terms energy: -419.574546
where:
bonds (distance) C4'-P energy: -79.544
bonds (distance) P-C4' energy: -80.382
flat angles C4'-P-C4' energy: -83.517
flat angles P-C4'-P energy: -63.930
tors. eta vs tors. theta energy: -112.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 135
Temperature: 0.950000
Total energy: -1298.213175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1298.213175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1298.213175 (E_RNA)
where:
Base-Base interactions energy: -884.003
where: short stacking energy: -390.594
Base-Backbone interact. energy: -0.477
local terms energy: -413.733260
where:
bonds (distance) C4'-P energy: -74.645
bonds (distance) P-C4' energy: -80.171
flat angles C4'-P-C4' energy: -87.130
flat angles P-C4'-P energy: -57.631
tors. eta vs tors. theta energy: -114.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 135
Temperature: 1.000000
Total energy: -1244.880526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1244.880526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1244.880526 (E_RNA)
where:
Base-Base interactions energy: -837.482
where: short stacking energy: -374.213
Base-Backbone interact. energy: -0.824
local terms energy: -406.574410
where:
bonds (distance) C4'-P energy: -84.058
bonds (distance) P-C4' energy: -74.218
flat angles C4'-P-C4' energy: -87.653
flat angles P-C4'-P energy: -58.446
tors. eta vs tors. theta energy: -102.200
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: 1
=====================================
Write number: 135
Temperature: 1.050000
Total energy: -1153.201836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1153.201836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1153.201836 (E_RNA)
where:
Base-Base interactions energy: -774.878
where: short stacking energy: -335.078
Base-Backbone interact. energy: -0.251
local terms energy: -378.073320
where:
bonds (distance) C4'-P energy: -66.036
bonds (distance) P-C4' energy: -79.450
flat angles C4'-P-C4' energy: -83.970
flat angles P-C4'-P energy: -58.491
tors. eta vs tors. theta energy: -90.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 135
Temperature: 1.100000
Total energy: -1103.329560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1103.329560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1103.329560 (E_RNA)
where:
Base-Base interactions energy: -779.016
where: short stacking energy: -326.102
Base-Backbone interact. energy: 2.222
local terms energy: -326.535423
where:
bonds (distance) C4'-P energy: -63.923
bonds (distance) P-C4' energy: -60.569
flat angles C4'-P-C4' energy: -74.965
flat angles P-C4'-P energy: -48.356
tors. eta vs tors. theta energy: -78.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 135
Temperature: 1.150000
Total energy: -1016.640759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1016.640759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1016.640759 (E_RNA)
where:
Base-Base interactions energy: -685.696
where: short stacking energy: -305.551
Base-Backbone interact. energy: -2.437
local terms energy: -328.507395
where:
bonds (distance) C4'-P energy: -57.546
bonds (distance) P-C4' energy: -70.058
flat angles C4'-P-C4' energy: -75.738
flat angles P-C4'-P energy: -51.022
tors. eta vs tors. theta energy: -74.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 135
Temperature: 1.200000
Total energy: -962.049088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -962.049088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -962.049088 (E_RNA)
where:
Base-Base interactions energy: -645.982
where: short stacking energy: -283.643
Base-Backbone interact. energy: -0.829
local terms energy: -315.237635
where:
bonds (distance) C4'-P energy: -65.263
bonds (distance) P-C4' energy: -71.669
flat angles C4'-P-C4' energy: -75.135
flat angles P-C4'-P energy: -36.008
tors. eta vs tors. theta energy: -67.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 135
Temperature: 1.250000
Total energy: -634.450290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -634.450290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -634.450290 (E_RNA)
where:
Base-Base interactions energy: -398.611
where: short stacking energy: -184.915
Base-Backbone interact. energy: -2.316
local terms energy: -233.522945
where:
bonds (distance) C4'-P energy: -63.309
bonds (distance) P-C4' energy: -52.703
flat angles C4'-P-C4' energy: -59.127
flat angles P-C4'-P energy: -30.384
tors. eta vs tors. theta energy: -27.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 135
Temperature: 1.300000
Total energy: -537.144607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.144607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.144607 (E_RNA)
where:
Base-Base interactions energy: -287.297
where: short stacking energy: -159.021
Base-Backbone interact. energy: -1.945
local terms energy: -247.903018
where:
bonds (distance) C4'-P energy: -67.188
bonds (distance) P-C4' energy: -63.138
flat angles C4'-P-C4' energy: -56.208
flat angles P-C4'-P energy: -48.663
tors. eta vs tors. theta energy: -12.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 135
Temperature: 1.350000
Total energy: -425.494382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.494382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.494382 (E_RNA)
where:
Base-Base interactions energy: -217.003
where: short stacking energy: -116.923
Base-Backbone interact. energy: 4.642
local terms energy: -213.132938
where:
bonds (distance) C4'-P energy: -60.818
bonds (distance) P-C4' energy: -69.611
flat angles C4'-P-C4' energy: -49.375
flat angles P-C4'-P energy: -34.784
tors. eta vs tors. theta energy: 1.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 136
Temperature: 0.900000
Total energy: -1402.257684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1402.257684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1402.257684 (E_RNA)
where:
Base-Base interactions energy: -991.256
where: short stacking energy: -414.457
Base-Backbone interact. energy: -2.245
local terms energy: -408.755827
where:
bonds (distance) C4'-P energy: -67.999
bonds (distance) P-C4' energy: -74.290
flat angles C4'-P-C4' energy: -84.225
flat angles P-C4'-P energy: -58.751
tors. eta vs tors. theta energy: -123.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 136
Temperature: 0.950000
Total energy: -1326.104341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1326.104341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1326.104341 (E_RNA)
where:
Base-Base interactions energy: -902.209
where: short stacking energy: -397.989
Base-Backbone interact. energy: -1.623
local terms energy: -422.271774
where:
bonds (distance) C4'-P energy: -83.354
bonds (distance) P-C4' energy: -72.129
flat angles C4'-P-C4' energy: -81.660
flat angles P-C4'-P energy: -61.658
tors. eta vs tors. theta energy: -123.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 136
Temperature: 1.000000
Total energy: -1247.432680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1247.432680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1247.432680 (E_RNA)
where:
Base-Base interactions energy: -855.143
where: short stacking energy: -362.556
Base-Backbone interact. energy: -2.692
local terms energy: -389.597953
where:
bonds (distance) C4'-P energy: -67.038
bonds (distance) P-C4' energy: -71.793
flat angles C4'-P-C4' energy: -88.131
flat angles P-C4'-P energy: -65.742
tors. eta vs tors. theta energy: -96.895
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: 4, replica: 1
=====================================
Write number: 136
Temperature: 1.050000
Total energy: -1121.717802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1121.717802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1121.717802 (E_RNA)
where:
Base-Base interactions energy: -763.562
where: short stacking energy: -326.929
Base-Backbone interact. energy: -0.398
local terms energy: -357.757205
where:
bonds (distance) C4'-P energy: -64.843
bonds (distance) P-C4' energy: -79.715
flat angles C4'-P-C4' energy: -81.460
flat angles P-C4'-P energy: -47.524
tors. eta vs tors. theta energy: -84.215
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: 5
=====================================
Write number: 136
Temperature: 1.100000
Total energy: -1146.578668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1146.578668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1146.578668 (E_RNA)
where:
Base-Base interactions energy: -785.662
where: short stacking energy: -317.652
Base-Backbone interact. energy: -0.761
local terms energy: -360.155753
where:
bonds (distance) C4'-P energy: -61.949
bonds (distance) P-C4' energy: -70.253
flat angles C4'-P-C4' energy: -80.900
flat angles P-C4'-P energy: -59.401
tors. eta vs tors. theta energy: -87.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 136
Temperature: 1.150000
Total energy: -960.039969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -960.039969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -960.039969 (E_RNA)
where:
Base-Base interactions energy: -640.803
where: short stacking energy: -273.218
Base-Backbone interact. energy: -2.575
local terms energy: -316.661995
where:
bonds (distance) C4'-P energy: -61.024
bonds (distance) P-C4' energy: -72.977
flat angles C4'-P-C4' energy: -73.589
flat angles P-C4'-P energy: -48.116
tors. eta vs tors. theta energy: -60.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 136
Temperature: 1.200000
Total energy: -914.431571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -914.431571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -914.431571 (E_RNA)
where:
Base-Base interactions energy: -607.414
where: short stacking energy: -251.780
Base-Backbone interact. energy: -1.291
local terms energy: -305.726737
where:
bonds (distance) C4'-P energy: -56.523
bonds (distance) P-C4' energy: -76.564
flat angles C4'-P-C4' energy: -72.754
flat angles P-C4'-P energy: -47.361
tors. eta vs tors. theta energy: -52.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 136
Temperature: 1.250000
Total energy: -592.862646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -592.862646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -592.862646 (E_RNA)
where:
Base-Base interactions energy: -361.497
where: short stacking energy: -172.670
Base-Backbone interact. energy: -0.855
local terms energy: -230.510491
where:
bonds (distance) C4'-P energy: -58.782
bonds (distance) P-C4' energy: -64.154
flat angles C4'-P-C4' energy: -47.194
flat angles P-C4'-P energy: -38.401
tors. eta vs tors. theta energy: -21.980
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: 4
=====================================
Write number: 136
Temperature: 1.300000
Total energy: -492.020589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.020589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.020589 (E_RNA)
where:
Base-Base interactions energy: -276.057
where: short stacking energy: -114.019
Base-Backbone interact. energy: 1.324
local terms energy: -217.287173
where:
bonds (distance) C4'-P energy: -62.332
bonds (distance) P-C4' energy: -65.279
flat angles C4'-P-C4' energy: -50.108
flat angles P-C4'-P energy: -46.282
tors. eta vs tors. theta energy: 6.713
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: 6
=====================================
Write number: 136
Temperature: 1.350000
Total energy: -471.628777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.628777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.628777 (E_RNA)
where:
Base-Base interactions energy: -238.824
where: short stacking energy: -124.274
Base-Backbone interact. energy: -1.644
local terms energy: -231.161249
where:
bonds (distance) C4'-P energy: -64.511
bonds (distance) P-C4' energy: -60.970
flat angles C4'-P-C4' energy: -70.349
flat angles P-C4'-P energy: -39.258
tors. eta vs tors. theta energy: 3.927
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: 1, replica: 7
=====================================
Write number: 137
Temperature: 0.900000
Total energy: -1419.254516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1419.254516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1419.254516 (E_RNA)
where:
Base-Base interactions energy: -988.316
where: short stacking energy: -414.146
Base-Backbone interact. energy: -0.967
local terms energy: -429.971920
where:
bonds (distance) C4'-P energy: -83.234
bonds (distance) P-C4' energy: -75.001
flat angles C4'-P-C4' energy: -84.982
flat angles P-C4'-P energy: -65.653
tors. eta vs tors. theta energy: -121.102
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: 2, replica: 3
=====================================
Write number: 137
Temperature: 0.950000
Total energy: -1322.728339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1322.728339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1322.728339 (E_RNA)
where:
Base-Base interactions energy: -901.979
where: short stacking energy: -404.019
Base-Backbone interact. energy: -1.640
local terms energy: -419.109073
where:
bonds (distance) C4'-P energy: -80.045
bonds (distance) P-C4' energy: -75.448
flat angles C4'-P-C4' energy: -81.160
flat angles P-C4'-P energy: -66.899
tors. eta vs tors. theta energy: -115.557
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: 3, replica: 9
=====================================
Write number: 137
Temperature: 1.000000
Total energy: -1234.703186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1234.703186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1234.703186 (E_RNA)
where:
Base-Base interactions energy: -850.363
where: short stacking energy: -356.078
Base-Backbone interact. energy: -3.954
local terms energy: -380.385592
where:
bonds (distance) C4'-P energy: -74.354
bonds (distance) P-C4' energy: -70.993
flat angles C4'-P-C4' energy: -87.458
flat angles P-C4'-P energy: -54.663
tors. eta vs tors. theta energy: -92.917
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: 137
Temperature: 1.050000
Total energy: -1178.339592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1178.339592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1178.339592 (E_RNA)
where:
Base-Base interactions energy: -825.567
where: short stacking energy: -348.613
Base-Backbone interact. energy: -2.438
local terms energy: -350.334771
where:
bonds (distance) C4'-P energy: -71.599
bonds (distance) P-C4' energy: -63.105
flat angles C4'-P-C4' energy: -73.835
flat angles P-C4'-P energy: -50.800
tors. eta vs tors. theta energy: -90.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 137
Temperature: 1.100000
Total energy: -1062.814075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1062.814075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1062.814075 (E_RNA)
where:
Base-Base interactions energy: -745.526
where: short stacking energy: -314.978
Base-Backbone interact. energy: 1.882
local terms energy: -319.170531
where:
bonds (distance) C4'-P energy: -62.745
bonds (distance) P-C4' energy: -64.477
flat angles C4'-P-C4' energy: -71.140
flat angles P-C4'-P energy: -43.375
tors. eta vs tors. theta energy: -77.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 137
Temperature: 1.150000
Total energy: -963.151147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -963.151147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -963.151147 (E_RNA)
where:
Base-Base interactions energy: -619.823
where: short stacking energy: -293.551
Base-Backbone interact. energy: 2.201
local terms energy: -345.528779
where:
bonds (distance) C4'-P energy: -74.042
bonds (distance) P-C4' energy: -66.498
flat angles C4'-P-C4' energy: -67.789
flat angles P-C4'-P energy: -59.237
tors. eta vs tors. theta energy: -77.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 137
Temperature: 1.200000
Total energy: -936.876463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -936.876463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -936.876463 (E_RNA)
where:
Base-Base interactions energy: -622.549
where: short stacking energy: -264.173
Base-Backbone interact. energy: -3.794
local terms energy: -310.533430
where:
bonds (distance) C4'-P energy: -66.059
bonds (distance) P-C4' energy: -65.933
flat angles C4'-P-C4' energy: -78.844
flat angles P-C4'-P energy: -36.959
tors. eta vs tors. theta energy: -62.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 137
Temperature: 1.250000
Total energy: -579.681876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -579.681876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -579.681876 (E_RNA)
where:
Base-Base interactions energy: -333.959
where: short stacking energy: -166.877
Base-Backbone interact. energy: -0.951
local terms energy: -244.771990
where:
bonds (distance) C4'-P energy: -70.372
bonds (distance) P-C4' energy: -65.133
flat angles C4'-P-C4' energy: -59.353
flat angles P-C4'-P energy: -39.891
tors. eta vs tors. theta energy: -10.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 137
Temperature: 1.300000
Total energy: -536.687647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.687647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.687647 (E_RNA)
where:
Base-Base interactions energy: -293.982
where: short stacking energy: -144.200
Base-Backbone interact. energy: 0.649
local terms energy: -243.354919
where:
bonds (distance) C4'-P energy: -58.134
bonds (distance) P-C4' energy: -65.479
flat angles C4'-P-C4' energy: -64.867
flat angles P-C4'-P energy: -44.646
tors. eta vs tors. theta energy: -10.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 137
Temperature: 1.350000
Total energy: -410.020220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.020220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.020220 (E_RNA)
where:
Base-Base interactions energy: -211.484
where: short stacking energy: -122.193
Base-Backbone interact. energy: 0.431
local terms energy: -198.967520
where:
bonds (distance) C4'-P energy: -70.487
bonds (distance) P-C4' energy: -61.133
flat angles C4'-P-C4' energy: -46.747
flat angles P-C4'-P energy: -22.955
tors. eta vs tors. theta energy: 2.354
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: 1, replica: 7
=====================================
Write number: 138
Temperature: 0.900000
Total energy: -1412.899388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1412.899388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1412.899388 (E_RNA)
where:
Base-Base interactions energy: -1000.933
where: short stacking energy: -425.972
Base-Backbone interact. energy: -2.784
local terms energy: -409.182271
where:
bonds (distance) C4'-P energy: -69.402
bonds (distance) P-C4' energy: -82.136
flat angles C4'-P-C4' energy: -89.151
flat angles P-C4'-P energy: -47.854
tors. eta vs tors. theta energy: -120.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 138
Temperature: 0.950000
Total energy: -1327.242307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1327.242307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1327.242307 (E_RNA)
where:
Base-Base interactions energy: -907.615
where: short stacking energy: -405.192
Base-Backbone interact. energy: -1.121
local terms energy: -418.506128
where:
bonds (distance) C4'-P energy: -71.404
bonds (distance) P-C4' energy: -77.806
flat angles C4'-P-C4' energy: -88.481
flat angles P-C4'-P energy: -57.595
tors. eta vs tors. theta energy: -123.220
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: 3, replica: 9
=====================================
Write number: 138
Temperature: 1.000000
Total energy: -1231.265249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1231.265249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1231.265249 (E_RNA)
where:
Base-Base interactions energy: -843.887
where: short stacking energy: -352.250
Base-Backbone interact. energy: -1.327
local terms energy: -386.051285
where:
bonds (distance) C4'-P energy: -76.795
bonds (distance) P-C4' energy: -80.599
flat angles C4'-P-C4' energy: -78.447
flat angles P-C4'-P energy: -54.699
tors. eta vs tors. theta energy: -95.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 138
Temperature: 1.050000
Total energy: -1183.104288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1183.104288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1183.104288 (E_RNA)
where:
Base-Base interactions energy: -792.806
where: short stacking energy: -341.922
Base-Backbone interact. energy: 3.430
local terms energy: -393.727887
where:
bonds (distance) C4'-P energy: -81.889
bonds (distance) P-C4' energy: -79.506
flat angles C4'-P-C4' energy: -77.099
flat angles P-C4'-P energy: -60.368
tors. eta vs tors. theta energy: -94.866
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: 5, replica: 1
=====================================
Write number: 138
Temperature: 1.100000
Total energy: -1064.694359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1064.694359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1064.694359 (E_RNA)
where:
Base-Base interactions energy: -694.708
where: short stacking energy: -316.812
Base-Backbone interact. energy: -1.468
local terms energy: -368.518089
where:
bonds (distance) C4'-P energy: -64.619
bonds (distance) P-C4' energy: -85.529
flat angles C4'-P-C4' energy: -73.325
flat angles P-C4'-P energy: -54.807
tors. eta vs tors. theta energy: -90.238
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: 8
=====================================
Write number: 138
Temperature: 1.150000
Total energy: -988.830843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -988.830843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -988.830843 (E_RNA)
where:
Base-Base interactions energy: -648.961
where: short stacking energy: -294.261
Base-Backbone interact. energy: 1.259
local terms energy: -341.128653
where:
bonds (distance) C4'-P energy: -67.961
bonds (distance) P-C4' energy: -70.679
flat angles C4'-P-C4' energy: -70.996
flat angles P-C4'-P energy: -53.410
tors. eta vs tors. theta energy: -78.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 138
Temperature: 1.200000
Total energy: -874.622195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -874.622195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -874.622195 (E_RNA)
where:
Base-Base interactions energy: -571.352
where: short stacking energy: -268.045
Base-Backbone interact. energy: -2.045
local terms energy: -301.932384
where:
bonds (distance) C4'-P energy: -59.498
bonds (distance) P-C4' energy: -66.501
flat angles C4'-P-C4' energy: -67.885
flat angles P-C4'-P energy: -45.591
tors. eta vs tors. theta energy: -62.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.708 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 138
Temperature: 1.250000
Total energy: -602.089956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -602.089956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -602.089956 (E_RNA)
where:
Base-Base interactions energy: -339.270
where: short stacking energy: -207.610
Base-Backbone interact. energy: 1.078
local terms energy: -263.897581
where:
bonds (distance) C4'-P energy: -54.213
bonds (distance) P-C4' energy: -65.861
flat angles C4'-P-C4' energy: -64.542
flat angles P-C4'-P energy: -39.136
tors. eta vs tors. theta energy: -40.145
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: 138
Temperature: 1.300000
Total energy: -531.395810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.395810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.395810 (E_RNA)
where:
Base-Base interactions energy: -296.502
where: short stacking energy: -145.396
Base-Backbone interact. energy: -0.286
local terms energy: -234.608244
where:
bonds (distance) C4'-P energy: -66.831
bonds (distance) P-C4' energy: -68.135
flat angles C4'-P-C4' energy: -60.962
flat angles P-C4'-P energy: -30.443
tors. eta vs tors. theta energy: -8.237
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: 6
=====================================
Write number: 138
Temperature: 1.350000
Total energy: -430.672079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.672079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.672079 (E_RNA)
where:
Base-Base interactions energy: -222.679
where: short stacking energy: -131.956
Base-Backbone interact. energy: -2.634
local terms energy: -205.359423
where:
bonds (distance) C4'-P energy: -59.299
bonds (distance) P-C4' energy: -65.697
flat angles C4'-P-C4' energy: -48.515
flat angles P-C4'-P energy: -26.610
tors. eta vs tors. theta energy: -5.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 139
Temperature: 0.900000
Total energy: -1433.281741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1433.281741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1433.281741 (E_RNA)
where:
Base-Base interactions energy: -1001.929
where: short stacking energy: -405.051
Base-Backbone interact. energy: -1.033
local terms energy: -430.320354
where:
bonds (distance) C4'-P energy: -76.617
bonds (distance) P-C4' energy: -79.151
flat angles C4'-P-C4' energy: -94.091
flat angles P-C4'-P energy: -66.884
tors. eta vs tors. theta energy: -113.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 139
Temperature: 0.950000
Total energy: -1312.299096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1312.299096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1312.299096 (E_RNA)
where:
Base-Base interactions energy: -874.276
where: short stacking energy: -399.212
Base-Backbone interact. energy: -0.064
local terms energy: -437.958640
where:
bonds (distance) C4'-P energy: -82.301
bonds (distance) P-C4' energy: -74.585
flat angles C4'-P-C4' energy: -90.703
flat angles P-C4'-P energy: -70.248
tors. eta vs tors. theta energy: -120.123
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: 9
=====================================
Write number: 139
Temperature: 1.000000
Total energy: -1249.614437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1249.614437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1249.614437 (E_RNA)
where:
Base-Base interactions energy: -871.682
where: short stacking energy: -389.142
Base-Backbone interact. energy: -0.415
local terms energy: -377.517909
where:
bonds (distance) C4'-P energy: -61.733
bonds (distance) P-C4' energy: -77.330
flat angles C4'-P-C4' energy: -80.974
flat angles P-C4'-P energy: -54.041
tors. eta vs tors. theta energy: -103.440
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: 4, replica: 5
=====================================
Write number: 139
Temperature: 1.050000
Total energy: -1162.543374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1162.543374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1162.543374 (E_RNA)
where:
Base-Base interactions energy: -780.981
where: short stacking energy: -329.076
Base-Backbone interact. energy: -1.597
local terms energy: -379.965674
where:
bonds (distance) C4'-P energy: -82.914
bonds (distance) P-C4' energy: -74.838
flat angles C4'-P-C4' energy: -80.243
flat angles P-C4'-P energy: -52.225
tors. eta vs tors. theta energy: -89.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 139
Temperature: 1.100000
Total energy: -1047.344088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1047.344088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1047.344088 (E_RNA)
where:
Base-Base interactions energy: -691.748
where: short stacking energy: -309.349
Base-Backbone interact. energy: -0.686
local terms energy: -354.910164
where:
bonds (distance) C4'-P energy: -76.200
bonds (distance) P-C4' energy: -73.068
flat angles C4'-P-C4' energy: -90.005
flat angles P-C4'-P energy: -37.869
tors. eta vs tors. theta energy: -77.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 139
Temperature: 1.150000
Total energy: -1052.374733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1052.374733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1052.374733 (E_RNA)
where:
Base-Base interactions energy: -697.507
where: short stacking energy: -317.555
Base-Backbone interact. energy: 2.302
local terms energy: -357.170155
where:
bonds (distance) C4'-P energy: -63.846
bonds (distance) P-C4' energy: -75.588
flat angles C4'-P-C4' energy: -75.767
flat angles P-C4'-P energy: -60.591
tors. eta vs tors. theta energy: -81.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 139
Temperature: 1.200000
Total energy: -864.721210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -864.721210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -864.721210 (E_RNA)
where:
Base-Base interactions energy: -594.161
where: short stacking energy: -256.771
Base-Backbone interact. energy: 0.163
local terms energy: -270.723137
where:
bonds (distance) C4'-P energy: -55.105
bonds (distance) P-C4' energy: -54.248
flat angles C4'-P-C4' energy: -70.699
flat angles P-C4'-P energy: -38.962
tors. eta vs tors. theta energy: -51.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 139
Temperature: 1.250000
Total energy: -586.959176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -586.959176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -586.959176 (E_RNA)
where:
Base-Base interactions energy: -332.396
where: short stacking energy: -163.201
Base-Backbone interact. energy: 1.478
local terms energy: -256.041879
where:
bonds (distance) C4'-P energy: -67.247
bonds (distance) P-C4' energy: -64.814
flat angles C4'-P-C4' energy: -60.165
flat angles P-C4'-P energy: -42.295
tors. eta vs tors. theta energy: -21.520
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: 4
=====================================
Write number: 139
Temperature: 1.300000
Total energy: -504.283163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.283163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.283163 (E_RNA)
where:
Base-Base interactions energy: -275.117
where: short stacking energy: -136.476
Base-Backbone interact. energy: -3.080
local terms energy: -226.425774
where:
bonds (distance) C4'-P energy: -65.292
bonds (distance) P-C4' energy: -57.480
flat angles C4'-P-C4' energy: -64.727
flat angles P-C4'-P energy: -34.593
tors. eta vs tors. theta energy: -4.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.340 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 139
Temperature: 1.350000
Total energy: -440.721998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.721998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.721998 (E_RNA)
where:
Base-Base interactions energy: -233.295
where: short stacking energy: -150.318
Base-Backbone interact. energy: -1.895
local terms energy: -205.531931
where:
bonds (distance) C4'-P energy: -58.521
bonds (distance) P-C4' energy: -56.038
flat angles C4'-P-C4' energy: -46.022
flat angles P-C4'-P energy: -39.309
tors. eta vs tors. theta energy: -5.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 140
Temperature: 0.900000
Total energy: -1430.382122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1430.382122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1430.382122 (E_RNA)
where:
Base-Base interactions energy: -1005.063
where: short stacking energy: -411.450
Base-Backbone interact. energy: -0.275
local terms energy: -425.044903
where:
bonds (distance) C4'-P energy: -81.159
bonds (distance) P-C4' energy: -76.582
flat angles C4'-P-C4' energy: -92.161
flat angles P-C4'-P energy: -65.745
tors. eta vs tors. theta energy: -109.397
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: 3
=====================================
Write number: 140
Temperature: 0.950000
Total energy: -1318.542899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1318.542899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1318.542899 (E_RNA)
where:
Base-Base interactions energy: -887.409
where: short stacking energy: -399.296
Base-Backbone interact. energy: -0.261
local terms energy: -430.873326
where:
bonds (distance) C4'-P energy: -74.576
bonds (distance) P-C4' energy: -80.138
flat angles C4'-P-C4' energy: -86.524
flat angles P-C4'-P energy: -60.008
tors. eta vs tors. theta energy: -129.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 140
Temperature: 1.000000
Total energy: -1259.391478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1259.391478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1259.391478 (E_RNA)
where:
Base-Base interactions energy: -868.381
where: short stacking energy: -370.442
Base-Backbone interact. energy: 0.066
local terms energy: -391.076496
where:
bonds (distance) C4'-P energy: -66.076
bonds (distance) P-C4' energy: -71.705
flat angles C4'-P-C4' energy: -84.494
flat angles P-C4'-P energy: -63.098
tors. eta vs tors. theta energy: -105.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 140
Temperature: 1.050000
Total energy: -1166.948189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1166.948189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1166.948189 (E_RNA)
where:
Base-Base interactions energy: -789.385
where: short stacking energy: -349.752
Base-Backbone interact. energy: -2.805
local terms energy: -374.758390
where:
bonds (distance) C4'-P energy: -79.957
bonds (distance) P-C4' energy: -65.150
flat angles C4'-P-C4' energy: -85.349
flat angles P-C4'-P energy: -47.578
tors. eta vs tors. theta energy: -96.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 140
Temperature: 1.100000
Total energy: -1055.874632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1055.874632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1055.874632 (E_RNA)
where:
Base-Base interactions energy: -718.789
where: short stacking energy: -332.730
Base-Backbone interact. energy: -1.005
local terms energy: -336.081117
where:
bonds (distance) C4'-P energy: -74.023
bonds (distance) P-C4' energy: -61.080
flat angles C4'-P-C4' energy: -73.896
flat angles P-C4'-P energy: -35.288
tors. eta vs tors. theta energy: -91.794
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: 1
=====================================
Write number: 140
Temperature: 1.150000
Total energy: -964.276202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -964.276202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -964.276202 (E_RNA)
where:
Base-Base interactions energy: -624.459
where: short stacking energy: -296.658
Base-Backbone interact. energy: -2.038
local terms energy: -337.779226
where:
bonds (distance) C4'-P energy: -56.810
bonds (distance) P-C4' energy: -67.411
flat angles C4'-P-C4' energy: -81.753
flat angles P-C4'-P energy: -56.420
tors. eta vs tors. theta energy: -75.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 140
Temperature: 1.200000
Total energy: -894.911697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -894.911697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -894.911697 (E_RNA)
where:
Base-Base interactions energy: -580.175
where: short stacking energy: -248.705
Base-Backbone interact. energy: -1.242
local terms energy: -313.494650
where:
bonds (distance) C4'-P energy: -69.049
bonds (distance) P-C4' energy: -76.125
flat angles C4'-P-C4' energy: -67.000
flat angles P-C4'-P energy: -55.478
tors. eta vs tors. theta energy: -45.843
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: 8, replica: 2
=====================================
Write number: 140
Temperature: 1.250000
Total energy: -642.818754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -642.818754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -642.818754 (E_RNA)
where:
Base-Base interactions energy: -366.996
where: short stacking energy: -178.266
Base-Backbone interact. energy: -2.352
local terms energy: -273.471074
where:
bonds (distance) C4'-P energy: -66.088
bonds (distance) P-C4' energy: -52.787
flat angles C4'-P-C4' energy: -73.328
flat angles P-C4'-P energy: -51.074
tors. eta vs tors. theta energy: -30.194
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: 4
=====================================
Write number: 140
Temperature: 1.300000
Total energy: -488.007640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.007640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.007640 (E_RNA)
where:
Base-Base interactions energy: -277.832
where: short stacking energy: -129.308
Base-Backbone interact. energy: 2.438
local terms energy: -212.613548
where:
bonds (distance) C4'-P energy: -65.149
bonds (distance) P-C4' energy: -61.647
flat angles C4'-P-C4' energy: -55.761
flat angles P-C4'-P energy: -34.321
tors. eta vs tors. theta energy: 4.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 140
Temperature: 1.350000
Total energy: -388.786524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.786524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.786524 (E_RNA)
where:
Base-Base interactions energy: -170.207
where: short stacking energy: -101.960
Base-Backbone interact. energy: 3.256
local terms energy: -221.835342
where:
bonds (distance) C4'-P energy: -67.666
bonds (distance) P-C4' energy: -78.368
flat angles C4'-P-C4' energy: -49.317
flat angles P-C4'-P energy: -37.262
tors. eta vs tors. theta energy: 10.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 141
Temperature: 0.900000
Total energy: -1421.138183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1421.138183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1421.138183 (E_RNA)
where:
Base-Base interactions energy: -1021.647
where: short stacking energy: -418.170
Base-Backbone interact. energy: 4.704
local terms energy: -404.194631
where:
bonds (distance) C4'-P energy: -73.557
bonds (distance) P-C4' energy: -85.128
flat angles C4'-P-C4' energy: -83.221
flat angles P-C4'-P energy: -51.037
tors. eta vs tors. theta energy: -111.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 141
Temperature: 0.950000
Total energy: -1291.631051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1291.631051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1291.631051 (E_RNA)
where:
Base-Base interactions energy: -863.737
where: short stacking energy: -386.640
Base-Backbone interact. energy: -0.657
local terms energy: -427.236757
where:
bonds (distance) C4'-P energy: -74.544
bonds (distance) P-C4' energy: -83.574
flat angles C4'-P-C4' energy: -91.713
flat angles P-C4'-P energy: -59.786
tors. eta vs tors. theta energy: -117.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 141
Temperature: 1.000000
Total energy: -1262.673448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1262.673448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1262.673448 (E_RNA)
where:
Base-Base interactions energy: -866.886
where: short stacking energy: -352.419
Base-Backbone interact. energy: -3.397
local terms energy: -392.390399
where:
bonds (distance) C4'-P energy: -67.124
bonds (distance) P-C4' energy: -72.072
flat angles C4'-P-C4' energy: -90.723
flat angles P-C4'-P energy: -57.943
tors. eta vs tors. theta energy: -104.528
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: 5
=====================================
Write number: 141
Temperature: 1.050000
Total energy: -1174.642133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1174.642133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1174.642133 (E_RNA)
where:
Base-Base interactions energy: -807.935
where: short stacking energy: -352.821
Base-Backbone interact. energy: 1.136
local terms energy: -367.842854
where:
bonds (distance) C4'-P energy: -64.105
bonds (distance) P-C4' energy: -71.911
flat angles C4'-P-C4' energy: -78.272
flat angles P-C4'-P energy: -57.200
tors. eta vs tors. theta energy: -96.355
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: 5, replica: 8
=====================================
Write number: 141
Temperature: 1.100000
Total energy: -1070.932738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1070.932738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1070.932738 (E_RNA)
where:
Base-Base interactions energy: -731.537
where: short stacking energy: -336.605
Base-Backbone interact. energy: -3.311
local terms energy: -336.084264
where:
bonds (distance) C4'-P energy: -55.059
bonds (distance) P-C4' energy: -60.096
flat angles C4'-P-C4' energy: -76.024
flat angles P-C4'-P energy: -55.310
tors. eta vs tors. theta energy: -89.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 141
Temperature: 1.150000
Total energy: -972.906523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -972.906523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -972.906523 (E_RNA)
where:
Base-Base interactions energy: -655.586
where: short stacking energy: -290.020
Base-Backbone interact. energy: -2.143
local terms energy: -315.177571
where:
bonds (distance) C4'-P energy: -55.483
bonds (distance) P-C4' energy: -71.163
flat angles C4'-P-C4' energy: -69.831
flat angles P-C4'-P energy: -44.644
tors. eta vs tors. theta energy: -74.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 141
Temperature: 1.200000
Total energy: -905.492701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -905.492701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -905.492701 (E_RNA)
where:
Base-Base interactions energy: -615.672
where: short stacking energy: -255.282
Base-Backbone interact. energy: -0.978
local terms energy: -288.842425
where:
bonds (distance) C4'-P energy: -64.566
bonds (distance) P-C4' energy: -60.380
flat angles C4'-P-C4' energy: -65.059
flat angles P-C4'-P energy: -44.892
tors. eta vs tors. theta energy: -53.946
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: 141
Temperature: 1.250000
Total energy: -651.819114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -651.819114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -651.819114 (E_RNA)
where:
Base-Base interactions energy: -377.825
where: short stacking energy: -179.744
Base-Backbone interact. energy: -1.366
local terms energy: -272.627709
where:
bonds (distance) C4'-P energy: -63.457
bonds (distance) P-C4' energy: -71.464
flat angles C4'-P-C4' energy: -64.664
flat angles P-C4'-P energy: -47.903
tors. eta vs tors. theta energy: -25.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 141
Temperature: 1.300000
Total energy: -485.156910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.156910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.156910 (E_RNA)
where:
Base-Base interactions energy: -251.089
where: short stacking energy: -153.033
Base-Backbone interact. energy: -0.205
local terms energy: -233.862729
where:
bonds (distance) C4'-P energy: -63.308
bonds (distance) P-C4' energy: -64.832
flat angles C4'-P-C4' energy: -68.623
flat angles P-C4'-P energy: -24.417
tors. eta vs tors. theta energy: -12.683
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: 6
=====================================
Write number: 141
Temperature: 1.350000
Total energy: -373.426563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.426563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.426563 (E_RNA)
where:
Base-Base interactions energy: -161.375
where: short stacking energy: -104.916
Base-Backbone interact. energy: -1.759
local terms energy: -210.292680
where:
bonds (distance) C4'-P energy: -63.238
bonds (distance) P-C4' energy: -61.502
flat angles C4'-P-C4' energy: -57.413
flat angles P-C4'-P energy: -33.667
tors. eta vs tors. theta energy: 5.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 142
Temperature: 0.900000
Total energy: -1420.188420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1420.188420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1420.188420 (E_RNA)
where:
Base-Base interactions energy: -1000.763
where: short stacking energy: -400.187
Base-Backbone interact. energy: -2.174
local terms energy: -417.250908
where:
bonds (distance) C4'-P energy: -77.602
bonds (distance) P-C4' energy: -80.814
flat angles C4'-P-C4' energy: -84.528
flat angles P-C4'-P energy: -61.211
tors. eta vs tors. theta energy: -113.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 142
Temperature: 0.950000
Total energy: -1310.899739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1310.899739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1310.899739 (E_RNA)
where:
Base-Base interactions energy: -893.991
where: short stacking energy: -404.868
Base-Backbone interact. energy: -1.182
local terms energy: -415.726763
where:
bonds (distance) C4'-P energy: -72.538
bonds (distance) P-C4' energy: -79.504
flat angles C4'-P-C4' energy: -90.429
flat angles P-C4'-P energy: -54.481
tors. eta vs tors. theta energy: -118.775
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: 9
=====================================
Write number: 142
Temperature: 1.000000
Total energy: -1262.236512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1262.236512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1262.236512 (E_RNA)
where:
Base-Base interactions energy: -863.002
where: short stacking energy: -362.837
Base-Backbone interact. energy: -1.370
local terms energy: -397.864597
where:
bonds (distance) C4'-P energy: -67.161
bonds (distance) P-C4' energy: -73.948
flat angles C4'-P-C4' energy: -86.885
flat angles P-C4'-P energy: -60.620
tors. eta vs tors. theta energy: -109.250
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: 4, replica: 5
=====================================
Write number: 142
Temperature: 1.050000
Total energy: -1192.445295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1192.445295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1192.445295 (E_RNA)
where:
Base-Base interactions energy: -814.322
where: short stacking energy: -354.779
Base-Backbone interact. energy: -1.305
local terms energy: -376.817812
where:
bonds (distance) C4'-P energy: -74.470
bonds (distance) P-C4' energy: -78.292
flat angles C4'-P-C4' energy: -75.012
flat angles P-C4'-P energy: -54.058
tors. eta vs tors. theta energy: -94.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 142
Temperature: 1.100000
Total energy: -1060.078786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1060.078786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1060.078786 (E_RNA)
where:
Base-Base interactions energy: -689.489
where: short stacking energy: -317.346
Base-Backbone interact. energy: -2.283
local terms energy: -368.306597
where:
bonds (distance) C4'-P energy: -75.404
bonds (distance) P-C4' energy: -82.245
flat angles C4'-P-C4' energy: -72.845
flat angles P-C4'-P energy: -48.894
tors. eta vs tors. theta energy: -88.919
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: 1
=====================================
Write number: 142
Temperature: 1.150000
Total energy: -937.798524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -937.798524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -937.798524 (E_RNA)
where:
Base-Base interactions energy: -620.949
where: short stacking energy: -264.064
Base-Backbone interact. energy: -1.275
local terms energy: -315.573841
where:
bonds (distance) C4'-P energy: -61.852
bonds (distance) P-C4' energy: -76.597
flat angles C4'-P-C4' energy: -73.059
flat angles P-C4'-P energy: -40.809
tors. eta vs tors. theta energy: -63.256
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: 10
=====================================
Write number: 142
Temperature: 1.200000
Total energy: -972.983728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -972.983728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -972.983728 (E_RNA)
where:
Base-Base interactions energy: -638.459
where: short stacking energy: -273.689
Base-Backbone interact. energy: -2.679
local terms energy: -331.845253
where:
bonds (distance) C4'-P energy: -76.885
bonds (distance) P-C4' energy: -66.800
flat angles C4'-P-C4' energy: -72.317
flat angles P-C4'-P energy: -54.961
tors. eta vs tors. theta energy: -60.884
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: 2
=====================================
Write number: 142
Temperature: 1.250000
Total energy: -575.033098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -575.033098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -575.033098 (E_RNA)
where:
Base-Base interactions energy: -323.050
where: short stacking energy: -161.534
Base-Backbone interact. energy: -1.343
local terms energy: -250.640035
where:
bonds (distance) C4'-P energy: -63.296
bonds (distance) P-C4' energy: -63.137
flat angles C4'-P-C4' energy: -61.892
flat angles P-C4'-P energy: -43.327
tors. eta vs tors. theta energy: -18.988
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: 9, replica: 4
=====================================
Write number: 142
Temperature: 1.300000
Total energy: -471.988029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.988029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.988029 (E_RNA)
where:
Base-Base interactions energy: -216.939
where: short stacking energy: -128.922
Base-Backbone interact. energy: -0.766
local terms energy: -254.282912
where:
bonds (distance) C4'-P energy: -69.689
bonds (distance) P-C4' energy: -70.512
flat angles C4'-P-C4' energy: -63.367
flat angles P-C4'-P energy: -40.603
tors. eta vs tors. theta energy: -10.113
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: 6
=====================================
Write number: 142
Temperature: 1.350000
Total energy: -387.000658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.000658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.000658 (E_RNA)
where:
Base-Base interactions energy: -192.960
where: short stacking energy: -110.385
Base-Backbone interact. energy: -1.769
local terms energy: -192.271853
where:
bonds (distance) C4'-P energy: -52.665
bonds (distance) P-C4' energy: -71.061
flat angles C4'-P-C4' energy: -54.712
flat angles P-C4'-P energy: -33.247
tors. eta vs tors. theta energy: 19.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 143
Temperature: 0.900000
Total energy: -1455.454050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1455.454050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1455.454050 (E_RNA)
where:
Base-Base interactions energy: -1042.987
where: short stacking energy: -415.001
Base-Backbone interact. energy: -1.226
local terms energy: -411.240684
where:
bonds (distance) C4'-P energy: -85.927
bonds (distance) P-C4' energy: -69.979
flat angles C4'-P-C4' energy: -84.970
flat angles P-C4'-P energy: -63.878
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: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 143
Temperature: 0.950000
Total energy: -1281.020730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1281.020730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1281.020730 (E_RNA)
where:
Base-Base interactions energy: -879.784
where: short stacking energy: -408.594
Base-Backbone interact. energy: 1.622
local terms energy: -402.859258
where:
bonds (distance) C4'-P energy: -70.439
bonds (distance) P-C4' energy: -78.197
flat angles C4'-P-C4' energy: -82.831
flat angles P-C4'-P energy: -58.946
tors. eta vs tors. theta energy: -112.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 143
Temperature: 1.000000
Total energy: -1271.548536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1271.548536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1271.548536 (E_RNA)
where:
Base-Base interactions energy: -882.694
where: short stacking energy: -368.629
Base-Backbone interact. energy: 0.337
local terms energy: -389.191875
where:
bonds (distance) C4'-P energy: -75.436
bonds (distance) P-C4' energy: -75.783
flat angles C4'-P-C4' energy: -69.621
flat angles P-C4'-P energy: -60.288
tors. eta vs tors. theta energy: -108.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 143
Temperature: 1.050000
Total energy: -1147.334734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1147.334734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1147.334734 (E_RNA)
where:
Base-Base interactions energy: -771.133
where: short stacking energy: -343.867
Base-Backbone interact. energy: 0.464
local terms energy: -376.665587
where:
bonds (distance) C4'-P energy: -75.736
bonds (distance) P-C4' energy: -73.443
flat angles C4'-P-C4' energy: -75.775
flat angles P-C4'-P energy: -55.715
tors. eta vs tors. theta energy: -95.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 143
Temperature: 1.100000
Total energy: -1105.028270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1105.028270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1105.028270 (E_RNA)
where:
Base-Base interactions energy: -749.454
where: short stacking energy: -327.221
Base-Backbone interact. energy: -1.125
local terms energy: -354.449779
where:
bonds (distance) C4'-P energy: -66.117
bonds (distance) P-C4' energy: -77.135
flat angles C4'-P-C4' energy: -74.071
flat angles P-C4'-P energy: -46.654
tors. eta vs tors. theta energy: -90.473
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: 10
=====================================
Write number: 143
Temperature: 1.150000
Total energy: -974.858416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -974.858416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -974.858416 (E_RNA)
where:
Base-Base interactions energy: -633.938
where: short stacking energy: -272.951
Base-Backbone interact. energy: 0.729
local terms energy: -341.648858
where:
bonds (distance) C4'-P energy: -83.434
bonds (distance) P-C4' energy: -69.393
flat angles C4'-P-C4' energy: -79.262
flat angles P-C4'-P energy: -46.501
tors. eta vs tors. theta energy: -63.058
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: 1
=====================================
Write number: 143
Temperature: 1.200000
Total energy: -931.604435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -931.604435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -931.604435 (E_RNA)
where:
Base-Base interactions energy: -618.496
where: short stacking energy: -273.691
Base-Backbone interact. energy: -0.468
local terms energy: -312.640858
where:
bonds (distance) C4'-P energy: -54.367
bonds (distance) P-C4' energy: -70.084
flat angles C4'-P-C4' energy: -76.753
flat angles P-C4'-P energy: -38.306
tors. eta vs tors. theta energy: -73.130
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: 2
=====================================
Write number: 143
Temperature: 1.250000
Total energy: -604.738059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -604.738059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -604.738059 (E_RNA)
where:
Base-Base interactions energy: -336.809
where: short stacking energy: -167.770
Base-Backbone interact. energy: 3.215
local terms energy: -271.144129
where:
bonds (distance) C4'-P energy: -73.955
bonds (distance) P-C4' energy: -64.088
flat angles C4'-P-C4' energy: -76.548
flat angles P-C4'-P energy: -38.712
tors. eta vs tors. theta energy: -17.841
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: 9, replica: 4
=====================================
Write number: 143
Temperature: 1.300000
Total energy: -501.786269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.786269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.786269 (E_RNA)
where:
Base-Base interactions energy: -264.627
where: short stacking energy: -133.917
Base-Backbone interact. energy: -0.836
local terms energy: -236.322581
where:
bonds (distance) C4'-P energy: -68.453
bonds (distance) P-C4' energy: -66.346
flat angles C4'-P-C4' energy: -56.274
flat angles P-C4'-P energy: -30.519
tors. eta vs tors. theta energy: -14.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 143
Temperature: 1.350000
Total energy: -415.899786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.899786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.899786 (E_RNA)
where:
Base-Base interactions energy: -207.431
where: short stacking energy: -136.616
Base-Backbone interact. energy: -0.618
local terms energy: -207.850961
where:
bonds (distance) C4'-P energy: -48.216
bonds (distance) P-C4' energy: -55.386
flat angles C4'-P-C4' energy: -55.704
flat angles P-C4'-P energy: -40.944
tors. eta vs tors. theta energy: -7.600
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: 1, replica: 7
=====================================
Write number: 144
Temperature: 0.900000
Total energy: -1437.450262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1437.450262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1437.450262 (E_RNA)
where:
Base-Base interactions energy: -1014.133
where: short stacking energy: -411.230
Base-Backbone interact. energy: -1.813
local terms energy: -421.503304
where:
bonds (distance) C4'-P energy: -86.966
bonds (distance) P-C4' energy: -75.907
flat angles C4'-P-C4' energy: -85.407
flat angles P-C4'-P energy: -62.994
tors. eta vs tors. theta energy: -110.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 144
Temperature: 0.950000
Total energy: -1271.689197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1271.689197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1271.689197 (E_RNA)
where:
Base-Base interactions energy: -865.481
where: short stacking energy: -384.266
Base-Backbone interact. energy: -0.074
local terms energy: -406.134610
where:
bonds (distance) C4'-P energy: -68.644
bonds (distance) P-C4' energy: -70.846
flat angles C4'-P-C4' energy: -90.229
flat angles P-C4'-P energy: -61.040
tors. eta vs tors. theta energy: -115.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 144
Temperature: 1.000000
Total energy: -1259.598836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1259.598836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1259.598836 (E_RNA)
where:
Base-Base interactions energy: -866.064
where: short stacking energy: -363.313
Base-Backbone interact. energy: -0.917
local terms energy: -392.617140
where:
bonds (distance) C4'-P energy: -75.097
bonds (distance) P-C4' energy: -71.751
flat angles C4'-P-C4' energy: -89.314
flat angles P-C4'-P energy: -51.056
tors. eta vs tors. theta energy: -105.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 144
Temperature: 1.050000
Total energy: -1162.193262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1162.193262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1162.193262 (E_RNA)
where:
Base-Base interactions energy: -775.918
where: short stacking energy: -345.540
Base-Backbone interact. energy: -2.641
local terms energy: -383.634167
where:
bonds (distance) C4'-P energy: -76.644
bonds (distance) P-C4' energy: -75.789
flat angles C4'-P-C4' energy: -80.793
flat angles P-C4'-P energy: -57.365
tors. eta vs tors. theta energy: -93.044
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: 8
=====================================
Write number: 144
Temperature: 1.100000
Total energy: -1097.972555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1097.972555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1097.972555 (E_RNA)
where:
Base-Base interactions energy: -743.901
where: short stacking energy: -325.820
Base-Backbone interact. energy: -2.589
local terms energy: -351.482417
where:
bonds (distance) C4'-P energy: -66.933
bonds (distance) P-C4' energy: -69.197
flat angles C4'-P-C4' energy: -77.416
flat angles P-C4'-P energy: -44.940
tors. eta vs tors. theta energy: -92.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 144
Temperature: 1.150000
Total energy: -990.133899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -990.133899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -990.133899 (E_RNA)
where:
Base-Base interactions energy: -655.371
where: short stacking energy: -291.460
Base-Backbone interact. energy: -2.167
local terms energy: -332.595467
where:
bonds (distance) C4'-P energy: -66.249
bonds (distance) P-C4' energy: -76.488
flat angles C4'-P-C4' energy: -73.918
flat angles P-C4'-P energy: -48.230
tors. eta vs tors. theta energy: -67.710
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: 7, replica: 1
=====================================
Write number: 144
Temperature: 1.200000
Total energy: -824.568599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -824.568599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -824.568599 (E_RNA)
where:
Base-Base interactions energy: -534.696
where: short stacking energy: -231.521
Base-Backbone interact. energy: -0.911
local terms energy: -288.960652
where:
bonds (distance) C4'-P energy: -54.285
bonds (distance) P-C4' energy: -64.065
flat angles C4'-P-C4' energy: -68.366
flat angles P-C4'-P energy: -51.628
tors. eta vs tors. theta energy: -50.616
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: 2
=====================================
Write number: 144
Temperature: 1.250000
Total energy: -581.976592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -581.976592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -581.976592 (E_RNA)
where:
Base-Base interactions energy: -324.463
where: short stacking energy: -171.813
Base-Backbone interact. energy: -0.178
local terms energy: -257.336137
where:
bonds (distance) C4'-P energy: -62.492
bonds (distance) P-C4' energy: -83.258
flat angles C4'-P-C4' energy: -58.070
flat angles P-C4'-P energy: -30.613
tors. eta vs tors. theta energy: -22.902
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: 4
=====================================
Write number: 144
Temperature: 1.300000
Total energy: -525.146171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.146171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.146171 (E_RNA)
where:
Base-Base interactions energy: -286.656
where: short stacking energy: -171.078
Base-Backbone interact. energy: -0.629
local terms energy: -237.861189
where:
bonds (distance) C4'-P energy: -62.793
bonds (distance) P-C4' energy: -57.356
flat angles C4'-P-C4' energy: -57.251
flat angles P-C4'-P energy: -39.980
tors. eta vs tors. theta energy: -20.481
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: 10, replica: 6
=====================================
Write number: 144
Temperature: 1.350000
Total energy: -373.559947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.559947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.559947 (E_RNA)
where:
Base-Base interactions energy: -175.515
where: short stacking energy: -108.159
Base-Backbone interact. energy: 0.916
local terms energy: -198.960448
where:
bonds (distance) C4'-P energy: -68.124
bonds (distance) P-C4' energy: -60.435
flat angles C4'-P-C4' energy: -62.588
flat angles P-C4'-P energy: -25.797
tors. eta vs tors. theta energy: 17.984
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: 1, replica: 7
=====================================
Write number: 145
Temperature: 0.900000
Total energy: -1429.658632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1429.658632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1429.658632 (E_RNA)
where:
Base-Base interactions energy: -1017.100
where: short stacking energy: -405.644
Base-Backbone interact. energy: -1.112
local terms energy: -411.446022
where:
bonds (distance) C4'-P energy: -71.882
bonds (distance) P-C4' energy: -74.995
flat angles C4'-P-C4' energy: -90.951
flat angles P-C4'-P energy: -65.000
tors. eta vs tors. theta energy: -108.617
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: 9
=====================================
Write number: 145
Temperature: 0.950000
Total energy: -1290.618573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1290.618573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1290.618573 (E_RNA)
where:
Base-Base interactions energy: -881.629
where: short stacking energy: -380.645
Base-Backbone interact. energy: 0.051
local terms energy: -409.407105
where:
bonds (distance) C4'-P energy: -81.527
bonds (distance) P-C4' energy: -76.522
flat angles C4'-P-C4' energy: -93.818
flat angles P-C4'-P energy: -50.101
tors. eta vs tors. theta energy: -107.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.366 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 145
Temperature: 1.000000
Total energy: -1266.347645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1266.347645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1266.347645 (E_RNA)
where:
Base-Base interactions energy: -856.467
where: short stacking energy: -367.859
Base-Backbone interact. energy: -0.825
local terms energy: -409.055506
where:
bonds (distance) C4'-P energy: -81.351
bonds (distance) P-C4' energy: -71.703
flat angles C4'-P-C4' energy: -81.983
flat angles P-C4'-P energy: -58.125
tors. eta vs tors. theta energy: -115.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 145
Temperature: 1.050000
Total energy: -1205.660902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1205.660902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1205.660902 (E_RNA)
where:
Base-Base interactions energy: -823.069
where: short stacking energy: -349.156
Base-Backbone interact. energy: 0.076
local terms energy: -382.667786
where:
bonds (distance) C4'-P energy: -75.642
bonds (distance) P-C4' energy: -79.504
flat angles C4'-P-C4' energy: -74.835
flat angles P-C4'-P energy: -52.316
tors. eta vs tors. theta energy: -100.371
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: 5, replica: 8
=====================================
Write number: 145
Temperature: 1.100000
Total energy: -1085.509694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1085.509694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1085.509694 (E_RNA)
where:
Base-Base interactions energy: -732.493
where: short stacking energy: -335.805
Base-Backbone interact. energy: -1.584
local terms energy: -351.433117
where:
bonds (distance) C4'-P energy: -72.430
bonds (distance) P-C4' energy: -68.743
flat angles C4'-P-C4' energy: -73.085
flat angles P-C4'-P energy: -51.845
tors. eta vs tors. theta energy: -85.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 145
Temperature: 1.150000
Total energy: -985.958754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -985.958754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -985.958754 (E_RNA)
where:
Base-Base interactions energy: -676.629
where: short stacking energy: -282.341
Base-Backbone interact. energy: -1.400
local terms energy: -307.928859
where:
bonds (distance) C4'-P energy: -63.090
bonds (distance) P-C4' energy: -70.499
flat angles C4'-P-C4' energy: -73.286
flat angles P-C4'-P energy: -43.616
tors. eta vs tors. theta energy: -57.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 145
Temperature: 1.200000
Total energy: -853.439173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -853.439173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -853.439173 (E_RNA)
where:
Base-Base interactions energy: -538.686
where: short stacking energy: -241.394
Base-Backbone interact. energy: 2.849
local terms energy: -317.601708
where:
bonds (distance) C4'-P energy: -72.754
bonds (distance) P-C4' energy: -77.003
flat angles C4'-P-C4' energy: -66.740
flat angles P-C4'-P energy: -44.234
tors. eta vs tors. theta energy: -56.871
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: 4
=====================================
Write number: 145
Temperature: 1.250000
Total energy: -507.484390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.484390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.484390 (E_RNA)
where:
Base-Base interactions energy: -296.781
where: short stacking energy: -134.099
Base-Backbone interact. energy: 1.797
local terms energy: -212.501081
where:
bonds (distance) C4'-P energy: -59.178
bonds (distance) P-C4' energy: -70.767
flat angles C4'-P-C4' energy: -58.053
flat angles P-C4'-P energy: -31.391
tors. eta vs tors. theta energy: 6.888
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: 2
=====================================
Write number: 145
Temperature: 1.300000
Total energy: -529.720961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.720961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.720961 (E_RNA)
where:
Base-Base interactions energy: -277.447
where: short stacking energy: -156.696
Base-Backbone interact. energy: -0.901
local terms energy: -251.372866
where:
bonds (distance) C4'-P energy: -70.935
bonds (distance) P-C4' energy: -67.901
flat angles C4'-P-C4' energy: -57.850
flat angles P-C4'-P energy: -29.920
tors. eta vs tors. theta energy: -24.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 145
Temperature: 1.350000
Total energy: -372.510826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.510826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.510826 (E_RNA)
where:
Base-Base interactions energy: -161.982
where: short stacking energy: -113.232
Base-Backbone interact. energy: -1.327
local terms energy: -209.201972
where:
bonds (distance) C4'-P energy: -49.708
bonds (distance) P-C4' energy: -76.950
flat angles C4'-P-C4' energy: -58.139
flat angles P-C4'-P energy: -33.370
tors. eta vs tors. theta energy: 8.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 146
Temperature: 0.900000
Total energy: -1416.142318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1416.142318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1416.142318 (E_RNA)
where:
Base-Base interactions energy: -1006.783
where: short stacking energy: -404.315
Base-Backbone interact. energy: -1.171
local terms energy: -408.188594
where:
bonds (distance) C4'-P energy: -67.624
bonds (distance) P-C4' energy: -76.848
flat angles C4'-P-C4' energy: -87.309
flat angles P-C4'-P energy: -59.620
tors. eta vs tors. theta energy: -116.788
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: 9
=====================================
Write number: 146
Temperature: 0.950000
Total energy: -1287.042539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1287.042539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1287.042539 (E_RNA)
where:
Base-Base interactions energy: -876.945
where: short stacking energy: -377.231
Base-Backbone interact. energy: 0.220
local terms energy: -410.317546
where:
bonds (distance) C4'-P energy: -76.322
bonds (distance) P-C4' energy: -83.002
flat angles C4'-P-C4' energy: -92.093
flat angles P-C4'-P energy: -54.600
tors. eta vs tors. theta energy: -104.300
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: 5
=====================================
Write number: 146
Temperature: 1.000000
Total energy: -1213.463397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1213.463397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1213.463397 (E_RNA)
where:
Base-Base interactions energy: -840.891
where: short stacking energy: -343.441
Base-Backbone interact. energy: -0.525
local terms energy: -372.047904
where:
bonds (distance) C4'-P energy: -63.647
bonds (distance) P-C4' energy: -70.228
flat angles C4'-P-C4' energy: -80.562
flat angles P-C4'-P energy: -56.531
tors. eta vs tors. theta energy: -101.080
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: 146
Temperature: 1.050000
Total energy: -1218.259173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1218.259173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1218.259173 (E_RNA)
where:
Base-Base interactions energy: -841.827
where: short stacking energy: -367.483
Base-Backbone interact. energy: -0.786
local terms energy: -375.646661
where:
bonds (distance) C4'-P energy: -67.814
bonds (distance) P-C4' energy: -73.403
flat angles C4'-P-C4' energy: -67.988
flat angles P-C4'-P energy: -53.072
tors. eta vs tors. theta energy: -113.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 146
Temperature: 1.100000
Total energy: -1064.485446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1064.485446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1064.485446 (E_RNA)
where:
Base-Base interactions energy: -726.069
where: short stacking energy: -331.961
Base-Backbone interact. energy: 1.119
local terms energy: -339.536023
where:
bonds (distance) C4'-P energy: -53.882
bonds (distance) P-C4' energy: -63.873
flat angles C4'-P-C4' energy: -84.517
flat angles P-C4'-P energy: -44.418
tors. eta vs tors. theta energy: -92.846
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: 10
=====================================
Write number: 146
Temperature: 1.150000
Total energy: -1009.025564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1009.025564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1009.025564 (E_RNA)
where:
Base-Base interactions energy: -680.816
where: short stacking energy: -285.993
Base-Backbone interact. energy: -1.288
local terms energy: -327.568107
where:
bonds (distance) C4'-P energy: -70.078
bonds (distance) P-C4' energy: -77.711
flat angles C4'-P-C4' energy: -69.973
flat angles P-C4'-P energy: -46.369
tors. eta vs tors. theta energy: -63.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.647 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 146
Temperature: 1.200000
Total energy: -858.093487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -858.093487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -858.093487 (E_RNA)
where:
Base-Base interactions energy: -542.055
where: short stacking energy: -243.380
Base-Backbone interact. energy: -4.627
local terms energy: -311.411521
where:
bonds (distance) C4'-P energy: -64.373
bonds (distance) P-C4' energy: -72.580
flat angles C4'-P-C4' energy: -72.555
flat angles P-C4'-P energy: -49.286
tors. eta vs tors. theta energy: -52.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 146
Temperature: 1.250000
Total energy: -476.761856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.761856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.761856 (E_RNA)
where:
Base-Base interactions energy: -213.852
where: short stacking energy: -136.344
Base-Backbone interact. energy: -0.710
local terms energy: -262.199528
where:
bonds (distance) C4'-P energy: -67.103
bonds (distance) P-C4' energy: -70.336
flat angles C4'-P-C4' energy: -73.584
flat angles P-C4'-P energy: -37.979
tors. eta vs tors. theta energy: -13.198
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: 9, replica: 2
=====================================
Write number: 146
Temperature: 1.300000
Total energy: -507.472546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.472546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.472546 (E_RNA)
where:
Base-Base interactions energy: -273.090
where: short stacking energy: -150.818
Base-Backbone interact. energy: -1.945
local terms energy: -232.437213
where:
bonds (distance) C4'-P energy: -56.839
bonds (distance) P-C4' energy: -67.827
flat angles C4'-P-C4' energy: -50.861
flat angles P-C4'-P energy: -35.516
tors. eta vs tors. theta energy: -21.394
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: 10, replica: 6
=====================================
Write number: 146
Temperature: 1.350000
Total energy: -394.166924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.166924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -394.166924 (E_RNA)
where:
Base-Base interactions energy: -198.581
where: short stacking energy: -122.348
Base-Backbone interact. energy: 0.810
local terms energy: -196.396440
where:
bonds (distance) C4'-P energy: -64.928
bonds (distance) P-C4' energy: -54.622
flat angles C4'-P-C4' energy: -61.680
flat angles P-C4'-P energy: -9.397
tors. eta vs tors. theta energy: -5.769
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: 7
=====================================
Write number: 147
Temperature: 0.900000
Total energy: -1410.476587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1410.476587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1410.476587 (E_RNA)
where:
Base-Base interactions energy: -992.496
where: short stacking energy: -410.854
Base-Backbone interact. energy: -0.960
local terms energy: -417.019978
where:
bonds (distance) C4'-P energy: -78.615
bonds (distance) P-C4' energy: -69.967
flat angles C4'-P-C4' energy: -89.797
flat angles P-C4'-P energy: -60.013
tors. eta vs tors. theta energy: -118.628
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: 9
=====================================
Write number: 147
Temperature: 0.950000
Total energy: -1283.389238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1283.389238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1283.389238 (E_RNA)
where:
Base-Base interactions energy: -872.030
where: short stacking energy: -389.296
Base-Backbone interact. energy: 0.864
local terms energy: -412.223391
where:
bonds (distance) C4'-P energy: -77.473
bonds (distance) P-C4' energy: -84.316
flat angles C4'-P-C4' energy: -86.706
flat angles P-C4'-P energy: -60.575
tors. eta vs tors. theta energy: -103.153
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: 5
=====================================
Write number: 147
Temperature: 1.000000
Total energy: -1258.998134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1258.998134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1258.998134 (E_RNA)
where:
Base-Base interactions energy: -868.545
where: short stacking energy: -382.633
Base-Backbone interact. energy: -4.318
local terms energy: -386.134818
where:
bonds (distance) C4'-P energy: -73.670
bonds (distance) P-C4' energy: -66.877
flat angles C4'-P-C4' energy: -89.137
flat angles P-C4'-P energy: -50.603
tors. eta vs tors. theta energy: -105.848
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: 147
Temperature: 1.050000
Total energy: -1236.871045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1236.871045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1236.871045 (E_RNA)
where:
Base-Base interactions energy: -844.053
where: short stacking energy: -373.211
Base-Backbone interact. energy: -1.219
local terms energy: -391.598626
where:
bonds (distance) C4'-P energy: -63.150
bonds (distance) P-C4' energy: -77.631
flat angles C4'-P-C4' energy: -86.015
flat angles P-C4'-P energy: -55.027
tors. eta vs tors. theta energy: -109.776
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: 5, replica: 8
=====================================
Write number: 147
Temperature: 1.100000
Total energy: -1094.356491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1094.356491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1094.356491 (E_RNA)
where:
Base-Base interactions energy: -740.678
where: short stacking energy: -321.270
Base-Backbone interact. energy: -0.619
local terms energy: -353.058868
where:
bonds (distance) C4'-P energy: -65.761
bonds (distance) P-C4' energy: -70.987
flat angles C4'-P-C4' energy: -81.165
flat angles P-C4'-P energy: -52.236
tors. eta vs tors. theta energy: -82.909
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: 10
=====================================
Write number: 147
Temperature: 1.150000
Total energy: -967.895460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -967.895460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -967.895460 (E_RNA)
where:
Base-Base interactions energy: -659.339
where: short stacking energy: -290.551
Base-Backbone interact. energy: -1.556
local terms energy: -307.001051
where:
bonds (distance) C4'-P energy: -65.143
bonds (distance) P-C4' energy: -59.014
flat angles C4'-P-C4' energy: -77.074
flat angles P-C4'-P energy: -46.769
tors. eta vs tors. theta energy: -59.001
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: 147
Temperature: 1.200000
Total energy: -876.959243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -876.959243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -876.959243 (E_RNA)
where:
Base-Base interactions energy: -575.185
where: short stacking energy: -270.862
Base-Backbone interact. energy: -0.125
local terms energy: -301.649116
where:
bonds (distance) C4'-P energy: -56.966
bonds (distance) P-C4' energy: -69.175
flat angles C4'-P-C4' energy: -65.284
flat angles P-C4'-P energy: -50.022
tors. eta vs tors. theta energy: -60.203
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: 8, replica: 2
=====================================
Write number: 147
Temperature: 1.250000
Total energy: -521.203866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.203866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.203866 (E_RNA)
where:
Base-Base interactions energy: -281.063
where: short stacking energy: -164.673
Base-Backbone interact. energy: 1.978
local terms energy: -242.118758
where:
bonds (distance) C4'-P energy: -61.575
bonds (distance) P-C4' energy: -67.733
flat angles C4'-P-C4' energy: -59.156
flat angles P-C4'-P energy: -39.212
tors. eta vs tors. theta energy: -14.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 147
Temperature: 1.300000
Total energy: -528.501733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.501733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.501733 (E_RNA)
where:
Base-Base interactions energy: -291.712
where: short stacking energy: -143.149
Base-Backbone interact. energy: 0.410
local terms energy: -237.200162
where:
bonds (distance) C4'-P energy: -70.913
bonds (distance) P-C4' energy: -76.710
flat angles C4'-P-C4' energy: -36.892
flat angles P-C4'-P energy: -36.303
tors. eta vs tors. theta energy: -16.382
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: 6
=====================================
Write number: 147
Temperature: 1.350000
Total energy: -314.590025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.590025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.590025 (E_RNA)
where:
Base-Base interactions energy: -92.856
where: short stacking energy: -80.010
Base-Backbone interact. energy: -0.733
local terms energy: -221.001508
where:
bonds (distance) C4'-P energy: -65.061
bonds (distance) P-C4' energy: -73.679
flat angles C4'-P-C4' energy: -59.079
flat angles P-C4'-P energy: -42.336
tors. eta vs tors. theta energy: 19.153
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: 1, replica: 7
=====================================
Write number: 148
Temperature: 0.900000
Total energy: -1448.178298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1448.178298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1448.178298 (E_RNA)
where:
Base-Base interactions energy: -1025.517
where: short stacking energy: -421.234
Base-Backbone interact. energy: -0.877
local terms energy: -421.784612
where:
bonds (distance) C4'-P energy: -76.350
bonds (distance) P-C4' energy: -71.450
flat angles C4'-P-C4' energy: -93.168
flat angles P-C4'-P energy: -64.330
tors. eta vs tors. theta energy: -116.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 148
Temperature: 0.950000
Total energy: -1280.201369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1280.201369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1280.201369 (E_RNA)
where:
Base-Base interactions energy: -879.206
where: short stacking energy: -386.901
Base-Backbone interact. energy: -2.774
local terms energy: -398.221566
where:
bonds (distance) C4'-P energy: -70.397
bonds (distance) P-C4' energy: -74.255
flat angles C4'-P-C4' energy: -94.118
flat angles P-C4'-P energy: -49.265
tors. eta vs tors. theta energy: -110.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 148
Temperature: 1.000000
Total energy: -1270.045509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1270.045509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1270.045509 (E_RNA)
where:
Base-Base interactions energy: -863.772
where: short stacking energy: -376.261
Base-Backbone interact. energy: -0.567
local terms energy: -405.705966
where:
bonds (distance) C4'-P energy: -67.818
bonds (distance) P-C4' energy: -82.150
flat angles C4'-P-C4' energy: -82.215
flat angles P-C4'-P energy: -62.340
tors. eta vs tors. theta energy: -111.183
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: 5
=====================================
Write number: 148
Temperature: 1.050000
Total energy: -1230.786679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1230.786679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1230.786679 (E_RNA)
where:
Base-Base interactions energy: -839.578
where: short stacking energy: -359.677
Base-Backbone interact. energy: -1.950
local terms energy: -389.258027
where:
bonds (distance) C4'-P energy: -81.397
bonds (distance) P-C4' energy: -72.438
flat angles C4'-P-C4' energy: -84.598
flat angles P-C4'-P energy: -45.905
tors. eta vs tors. theta energy: -104.921
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: 8
=====================================
Write number: 148
Temperature: 1.100000
Total energy: -1118.091452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1118.091452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1118.091452 (E_RNA)
where:
Base-Base interactions energy: -767.225
where: short stacking energy: -332.162
Base-Backbone interact. energy: -2.220
local terms energy: -348.646727
where:
bonds (distance) C4'-P energy: -67.984
bonds (distance) P-C4' energy: -77.194
flat angles C4'-P-C4' energy: -72.960
flat angles P-C4'-P energy: -45.856
tors. eta vs tors. theta energy: -84.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 148
Temperature: 1.150000
Total energy: -980.730590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -980.730590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -980.730590 (E_RNA)
where:
Base-Base interactions energy: -661.013
where: short stacking energy: -263.553
Base-Backbone interact. energy: -2.585
local terms energy: -317.132784
where:
bonds (distance) C4'-P energy: -67.041
bonds (distance) P-C4' energy: -68.249
flat angles C4'-P-C4' energy: -71.488
flat angles P-C4'-P energy: -53.987
tors. eta vs tors. theta energy: -56.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 148
Temperature: 1.200000
Total energy: -861.134728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -861.134728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -861.134728 (E_RNA)
where:
Base-Base interactions energy: -572.991
where: short stacking energy: -238.150
Base-Backbone interact. energy: 5.397
local terms energy: -293.540876
where:
bonds (distance) C4'-P energy: -62.145
bonds (distance) P-C4' energy: -72.780
flat angles C4'-P-C4' energy: -51.456
flat angles P-C4'-P energy: -46.507
tors. eta vs tors. theta energy: -60.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 148
Temperature: 1.250000
Total energy: -544.417369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.417369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.417369 (E_RNA)
where:
Base-Base interactions energy: -311.623
where: short stacking energy: -166.801
Base-Backbone interact. energy: 4.415
local terms energy: -237.208946
where:
bonds (distance) C4'-P energy: -60.574
bonds (distance) P-C4' energy: -58.472
flat angles C4'-P-C4' energy: -64.036
flat angles P-C4'-P energy: -39.464
tors. eta vs tors. theta energy: -14.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 148
Temperature: 1.300000
Total energy: -452.487364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.487364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.487364 (E_RNA)
where:
Base-Base interactions energy: -209.780
where: short stacking energy: -134.206
Base-Backbone interact. energy: 3.032
local terms energy: -245.740142
where:
bonds (distance) C4'-P energy: -64.431
bonds (distance) P-C4' energy: -62.416
flat angles C4'-P-C4' energy: -65.981
flat angles P-C4'-P energy: -54.431
tors. eta vs tors. theta energy: 1.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 148
Temperature: 1.350000
Total energy: -353.302843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.302843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.302843 (E_RNA)
where:
Base-Base interactions energy: -144.758
where: short stacking energy: -89.893
Base-Backbone interact. energy: 2.346
local terms energy: -210.891089
where:
bonds (distance) C4'-P energy: -63.294
bonds (distance) P-C4' energy: -59.556
flat angles C4'-P-C4' energy: -66.999
flat angles P-C4'-P energy: -33.882
tors. eta vs tors. theta energy: 12.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 149
Temperature: 0.900000
Total energy: -1415.694984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1415.694984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1415.694984 (E_RNA)
where:
Base-Base interactions energy: -992.926
where: short stacking energy: -401.314
Base-Backbone interact. energy: 0.411
local terms energy: -423.179983
where:
bonds (distance) C4'-P energy: -74.067
bonds (distance) P-C4' energy: -79.128
flat angles C4'-P-C4' energy: -92.271
flat angles P-C4'-P energy: -59.414
tors. eta vs tors. theta energy: -118.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 149
Temperature: 0.950000
Total energy: -1286.160015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1286.160015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1286.160015 (E_RNA)
where:
Base-Base interactions energy: -873.031
where: short stacking energy: -372.007
Base-Backbone interact. energy: -0.855
local terms energy: -412.273354
where:
bonds (distance) C4'-P energy: -75.375
bonds (distance) P-C4' energy: -77.406
flat angles C4'-P-C4' energy: -85.716
flat angles P-C4'-P energy: -57.964
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: 3, replica: 3
=====================================
Write number: 149
Temperature: 1.000000
Total energy: -1266.525789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1266.525789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1266.525789 (E_RNA)
where:
Base-Base interactions energy: -861.921
where: short stacking energy: -368.982
Base-Backbone interact. energy: -1.569
local terms energy: -403.035134
where:
bonds (distance) C4'-P energy: -70.509
bonds (distance) P-C4' energy: -79.923
flat angles C4'-P-C4' energy: -90.240
flat angles P-C4'-P energy: -55.473
tors. eta vs tors. theta energy: -106.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 149
Temperature: 1.050000
Total energy: -1212.126086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1212.126086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1212.126086 (E_RNA)
where:
Base-Base interactions energy: -833.075
where: short stacking energy: -366.676
Base-Backbone interact. energy: -2.591
local terms energy: -376.460629
where:
bonds (distance) C4'-P energy: -71.559
bonds (distance) P-C4' energy: -68.717
flat angles C4'-P-C4' energy: -76.297
flat angles P-C4'-P energy: -58.183
tors. eta vs tors. theta energy: -101.705
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: 8
=====================================
Write number: 149
Temperature: 1.100000
Total energy: -1132.151468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1132.151468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1132.151468 (E_RNA)
where:
Base-Base interactions energy: -773.695
where: short stacking energy: -360.400
Base-Backbone interact. energy: 1.474
local terms energy: -359.931088
where:
bonds (distance) C4'-P energy: -61.344
bonds (distance) P-C4' energy: -69.667
flat angles C4'-P-C4' energy: -77.844
flat angles P-C4'-P energy: -56.652
tors. eta vs tors. theta energy: -94.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 149
Temperature: 1.150000
Total energy: -997.145180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -997.145180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -997.145180 (E_RNA)
where:
Base-Base interactions energy: -667.449
where: short stacking energy: -276.140
Base-Backbone interact. energy: -1.494
local terms energy: -328.201586
where:
bonds (distance) C4'-P energy: -72.267
bonds (distance) P-C4' energy: -77.400
flat angles C4'-P-C4' energy: -77.481
flat angles P-C4'-P energy: -39.589
tors. eta vs tors. theta energy: -61.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 149
Temperature: 1.200000
Total energy: -791.515957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -791.515957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -791.515957 (E_RNA)
where:
Base-Base interactions energy: -503.931
where: short stacking energy: -243.337
Base-Backbone interact. energy: -2.211
local terms energy: -285.374261
where:
bonds (distance) C4'-P energy: -47.858
bonds (distance) P-C4' energy: -69.482
flat angles C4'-P-C4' energy: -75.986
flat angles P-C4'-P energy: -46.704
tors. eta vs tors. theta energy: -45.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 149
Temperature: 1.250000
Total energy: -555.885110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.885110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.885110 (E_RNA)
where:
Base-Base interactions energy: -322.792
where: short stacking energy: -173.461
Base-Backbone interact. energy: 1.700
local terms energy: -234.792939
where:
bonds (distance) C4'-P energy: -51.863
bonds (distance) P-C4' energy: -56.611
flat angles C4'-P-C4' energy: -71.282
flat angles P-C4'-P energy: -33.004
tors. eta vs tors. theta energy: -22.033
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: 4
=====================================
Write number: 149
Temperature: 1.300000
Total energy: -476.522612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.522612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.522612 (E_RNA)
where:
Base-Base interactions energy: -246.052
where: short stacking energy: -128.903
Base-Backbone interact. energy: -2.314
local terms energy: -228.157183
where:
bonds (distance) C4'-P energy: -63.025
bonds (distance) P-C4' energy: -63.543
flat angles C4'-P-C4' energy: -77.134
flat angles P-C4'-P energy: -29.254
tors. eta vs tors. theta energy: 4.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 149
Temperature: 1.350000
Total energy: -344.616137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.616137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.616137 (E_RNA)
where:
Base-Base interactions energy: -127.267
where: short stacking energy: -81.045
Base-Backbone interact. energy: 0.169
local terms energy: -217.517556
where:
bonds (distance) C4'-P energy: -66.427
bonds (distance) P-C4' energy: -60.482
flat angles C4'-P-C4' energy: -59.059
flat angles P-C4'-P energy: -39.969
tors. eta vs tors. theta energy: 8.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 150
Temperature: 0.900000
Total energy: -1406.474754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1406.474754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1406.474754 (E_RNA)
where:
Base-Base interactions energy: -993.528
where: short stacking energy: -415.674
Base-Backbone interact. energy: -0.047
local terms energy: -412.899655
where:
bonds (distance) C4'-P energy: -73.864
bonds (distance) P-C4' energy: -78.506
flat angles C4'-P-C4' energy: -84.210
flat angles P-C4'-P energy: -58.692
tors. eta vs tors. theta energy: -117.627
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: 9
=====================================
Write number: 150
Temperature: 0.950000
Total energy: -1293.897539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1293.897539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1293.897539 (E_RNA)
where:
Base-Base interactions energy: -868.616
where: short stacking energy: -388.650
Base-Backbone interact. energy: -1.753
local terms energy: -423.528742
where:
bonds (distance) C4'-P energy: -70.000
bonds (distance) P-C4' energy: -86.159
flat angles C4'-P-C4' energy: -95.459
flat angles P-C4'-P energy: -56.604
tors. eta vs tors. theta energy: -115.308
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: 150
Temperature: 1.000000
Total energy: -1270.329458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1270.329458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1270.329458 (E_RNA)
where:
Base-Base interactions energy: -867.000
where: short stacking energy: -394.018
Base-Backbone interact. energy: -2.973
local terms energy: -400.356582
where:
bonds (distance) C4'-P energy: -72.651
bonds (distance) P-C4' energy: -73.394
flat angles C4'-P-C4' energy: -80.891
flat angles P-C4'-P energy: -59.282
tors. eta vs tors. theta energy: -114.138
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: 150
Temperature: 1.050000
Total energy: -1187.447524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1187.447524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1187.447524 (E_RNA)
where:
Base-Base interactions energy: -807.879
where: short stacking energy: -345.508
Base-Backbone interact. energy: -3.256
local terms energy: -376.312926
where:
bonds (distance) C4'-P energy: -71.237
bonds (distance) P-C4' energy: -68.701
flat angles C4'-P-C4' energy: -85.927
flat angles P-C4'-P energy: -55.151
tors. eta vs tors. theta energy: -95.298
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: 5, replica: 8
=====================================
Write number: 150
Temperature: 1.100000
Total energy: -1114.396091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1114.396091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1114.396091 (E_RNA)
where:
Base-Base interactions energy: -743.288
where: short stacking energy: -334.272
Base-Backbone interact. energy: -1.476
local terms energy: -369.632079
where:
bonds (distance) C4'-P energy: -70.491
bonds (distance) P-C4' energy: -72.910
flat angles C4'-P-C4' energy: -79.055
flat angles P-C4'-P energy: -60.662
tors. eta vs tors. theta energy: -86.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 150
Temperature: 1.150000
Total energy: -1009.479615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1009.479615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1009.479615 (E_RNA)
where:
Base-Base interactions energy: -669.865
where: short stacking energy: -295.236
Base-Backbone interact. energy: -0.790
local terms energy: -338.824461
where:
bonds (distance) C4'-P energy: -60.918
bonds (distance) P-C4' energy: -70.691
flat angles C4'-P-C4' energy: -78.708
flat angles P-C4'-P energy: -52.773
tors. eta vs tors. theta energy: -75.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 150
Temperature: 1.200000
Total energy: -808.687101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -808.687101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -808.687101 (E_RNA)
where:
Base-Base interactions energy: -502.903
where: short stacking energy: -245.764
Base-Backbone interact. energy: -1.583
local terms energy: -304.200761
where:
bonds (distance) C4'-P energy: -73.734
bonds (distance) P-C4' energy: -76.082
flat angles C4'-P-C4' energy: -69.724
flat angles P-C4'-P energy: -32.742
tors. eta vs tors. theta energy: -51.919
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: 8, replica: 2
=====================================
Write number: 150
Temperature: 1.250000
Total energy: -636.467109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -636.467109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -636.467109 (E_RNA)
where:
Base-Base interactions energy: -380.612
where: short stacking energy: -172.781
Base-Backbone interact. energy: -2.020
local terms energy: -253.835443
where:
bonds (distance) C4'-P energy: -70.498
bonds (distance) P-C4' energy: -74.312
flat angles C4'-P-C4' energy: -59.716
flat angles P-C4'-P energy: -32.894
tors. eta vs tors. theta energy: -16.416
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: 150
Temperature: 1.300000
Total energy: -458.557116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.557116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.557116 (E_RNA)
where:
Base-Base interactions energy: -246.416
where: short stacking energy: -125.697
Base-Backbone interact. energy: -0.715
local terms energy: -211.425760
where:
bonds (distance) C4'-P energy: -56.018
bonds (distance) P-C4' energy: -69.349
flat angles C4'-P-C4' energy: -69.779
flat angles P-C4'-P energy: -20.948
tors. eta vs tors. theta energy: 4.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 150
Temperature: 1.350000
Total energy: -333.338280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.338280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.338280 (E_RNA)
where:
Base-Base interactions energy: -129.416
where: short stacking energy: -92.550
Base-Backbone interact. energy: -1.555
local terms energy: -202.367418
where:
bonds (distance) C4'-P energy: -57.548
bonds (distance) P-C4' energy: -57.351
flat angles C4'-P-C4' energy: -60.829
flat angles P-C4'-P energy: -27.384
tors. eta vs tors. theta energy: 0.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 151
Temperature: 0.900000
Total energy: -1411.872639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1411.872639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1411.872639 (E_RNA)
where:
Base-Base interactions energy: -990.728
where: short stacking energy: -410.603
Base-Backbone interact. energy: -1.931
local terms energy: -419.213335
where:
bonds (distance) C4'-P energy: -80.166
bonds (distance) P-C4' energy: -84.807
flat angles C4'-P-C4' energy: -84.646
flat angles P-C4'-P energy: -60.914
tors. eta vs tors. theta energy: -108.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 151
Temperature: 0.950000
Total energy: -1291.575861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1291.575861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1291.575861 (E_RNA)
where:
Base-Base interactions energy: -899.623
where: short stacking energy: -392.212
Base-Backbone interact. energy: -1.080
local terms energy: -390.873221
where:
bonds (distance) C4'-P energy: -66.968
bonds (distance) P-C4' energy: -78.310
flat angles C4'-P-C4' energy: -81.832
flat angles P-C4'-P energy: -51.657
tors. eta vs tors. theta energy: -112.106
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: 3, replica: 3
=====================================
Write number: 151
Temperature: 1.000000
Total energy: -1250.655609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1250.655609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1250.655609 (E_RNA)
where:
Base-Base interactions energy: -857.347
where: short stacking energy: -388.840
Base-Backbone interact. energy: -0.998
local terms energy: -392.311054
where:
bonds (distance) C4'-P energy: -67.841
bonds (distance) P-C4' energy: -80.616
flat angles C4'-P-C4' energy: -81.772
flat angles P-C4'-P energy: -59.098
tors. eta vs tors. theta energy: -102.984
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: 4, replica: 5
=====================================
Write number: 151
Temperature: 1.050000
Total energy: -1184.507056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1184.507056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1184.507056 (E_RNA)
where:
Base-Base interactions energy: -796.833
where: short stacking energy: -332.605
Base-Backbone interact. energy: -3.025
local terms energy: -384.648584
where:
bonds (distance) C4'-P energy: -62.083
bonds (distance) P-C4' energy: -87.724
flat angles C4'-P-C4' energy: -82.044
flat angles P-C4'-P energy: -58.281
tors. eta vs tors. theta energy: -94.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 151
Temperature: 1.100000
Total energy: -1073.914709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1073.914709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1073.914709 (E_RNA)
where:
Base-Base interactions energy: -696.797
where: short stacking energy: -306.020
Base-Backbone interact. energy: -0.554
local terms energy: -376.563708
where:
bonds (distance) C4'-P energy: -78.611
bonds (distance) P-C4' energy: -73.200
flat angles C4'-P-C4' energy: -85.900
flat angles P-C4'-P energy: -54.641
tors. eta vs tors. theta energy: -84.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 151
Temperature: 1.150000
Total energy: -986.742098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -986.742098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -986.742098 (E_RNA)
where:
Base-Base interactions energy: -671.572
where: short stacking energy: -294.080
Base-Backbone interact. energy: -0.896
local terms energy: -314.273836
where:
bonds (distance) C4'-P energy: -71.215
bonds (distance) P-C4' energy: -63.480
flat angles C4'-P-C4' energy: -73.717
flat angles P-C4'-P energy: -46.433
tors. eta vs tors. theta energy: -59.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 151
Temperature: 1.200000
Total energy: -865.586197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -865.586197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -865.586197 (E_RNA)
where:
Base-Base interactions energy: -568.562
where: short stacking energy: -258.472
Base-Backbone interact. energy: -1.578
local terms energy: -295.447009
where:
bonds (distance) C4'-P energy: -67.256
bonds (distance) P-C4' energy: -67.173
flat angles C4'-P-C4' energy: -61.464
flat angles P-C4'-P energy: -31.713
tors. eta vs tors. theta energy: -67.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 151
Temperature: 1.250000
Total energy: -656.682568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -656.682568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -656.682568 (E_RNA)
where:
Base-Base interactions energy: -408.143
where: short stacking energy: -192.850
Base-Backbone interact. energy: -1.131
local terms energy: -247.409355
where:
bonds (distance) C4'-P energy: -60.327
bonds (distance) P-C4' energy: -68.072
flat angles C4'-P-C4' energy: -73.280
flat angles P-C4'-P energy: -28.487
tors. eta vs tors. theta energy: -17.244
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: 9, replica: 4
=====================================
Write number: 151
Temperature: 1.300000
Total energy: -500.635590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.635590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.635590 (E_RNA)
where:
Base-Base interactions energy: -255.255
where: short stacking energy: -144.615
Base-Backbone interact. energy: 0.185
local terms energy: -245.565981
where:
bonds (distance) C4'-P energy: -70.754
bonds (distance) P-C4' energy: -64.798
flat angles C4'-P-C4' energy: -71.449
flat angles P-C4'-P energy: -37.468
tors. eta vs tors. theta energy: -1.098
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: 6
=====================================
Write number: 151
Temperature: 1.350000
Total energy: -348.502256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.502256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.502256 (E_RNA)
where:
Base-Base interactions energy: -139.537
where: short stacking energy: -86.782
Base-Backbone interact. energy: -0.774
local terms energy: -208.191002
where:
bonds (distance) C4'-P energy: -60.683
bonds (distance) P-C4' energy: -70.957
flat angles C4'-P-C4' energy: -55.956
flat angles P-C4'-P energy: -34.041
tors. eta vs tors. theta energy: 13.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 152
Temperature: 0.900000
Total energy: -1416.261089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1416.261089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1416.261089 (E_RNA)
where:
Base-Base interactions energy: -999.023
where: short stacking energy: -412.042
Base-Backbone interact. energy: -1.700
local terms energy: -415.538401
where:
bonds (distance) C4'-P energy: -66.527
bonds (distance) P-C4' energy: -78.580
flat angles C4'-P-C4' energy: -88.932
flat angles P-C4'-P energy: -65.753
tors. eta vs tors. theta energy: -115.745
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: 9
=====================================
Write number: 152
Temperature: 0.950000
Total energy: -1299.553890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1299.553890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1299.553890 (E_RNA)
where:
Base-Base interactions energy: -899.380
where: short stacking energy: -385.802
Base-Backbone interact. energy: -1.540
local terms energy: -398.633854
where:
bonds (distance) C4'-P energy: -77.153
bonds (distance) P-C4' energy: -77.748
flat angles C4'-P-C4' energy: -84.754
flat angles P-C4'-P energy: -51.437
tors. eta vs tors. theta energy: -107.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 152
Temperature: 1.000000
Total energy: -1261.245175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1261.245175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1261.245175 (E_RNA)
where:
Base-Base interactions energy: -868.784
where: short stacking energy: -367.983
Base-Backbone interact. energy: -3.086
local terms energy: -389.375920
where:
bonds (distance) C4'-P energy: -73.934
bonds (distance) P-C4' energy: -88.215
flat angles C4'-P-C4' energy: -77.310
flat angles P-C4'-P energy: -50.225
tors. eta vs tors. theta energy: -99.692
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: 152
Temperature: 1.050000
Total energy: -1190.705771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1190.705771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1190.705771 (E_RNA)
where:
Base-Base interactions energy: -820.316
where: short stacking energy: -347.100
Base-Backbone interact. energy: 0.818
local terms energy: -371.207558
where:
bonds (distance) C4'-P energy: -71.512
bonds (distance) P-C4' energy: -83.042
flat angles C4'-P-C4' energy: -80.146
flat angles P-C4'-P energy: -41.393
tors. eta vs tors. theta energy: -95.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 152
Temperature: 1.100000
Total energy: -1099.268320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1099.268320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1099.268320 (E_RNA)
where:
Base-Base interactions energy: -753.893
where: short stacking energy: -334.267
Base-Backbone interact. energy: -1.956
local terms energy: -343.419574
where:
bonds (distance) C4'-P energy: -68.227
bonds (distance) P-C4' energy: -67.269
flat angles C4'-P-C4' energy: -77.110
flat angles P-C4'-P energy: -48.244
tors. eta vs tors. theta energy: -82.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 152
Temperature: 1.150000
Total energy: -978.042505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -978.042505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -978.042505 (E_RNA)
where:
Base-Base interactions energy: -654.660
where: short stacking energy: -270.221
Base-Backbone interact. energy: -2.472
local terms energy: -320.910219
where:
bonds (distance) C4'-P energy: -62.388
bonds (distance) P-C4' energy: -86.055
flat angles C4'-P-C4' energy: -62.392
flat angles P-C4'-P energy: -43.531
tors. eta vs tors. theta energy: -66.545
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: 152
Temperature: 1.200000
Total energy: -809.044863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -809.044863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -809.044863 (E_RNA)
where:
Base-Base interactions energy: -509.641
where: short stacking energy: -243.783
Base-Backbone interact. energy: -0.595
local terms energy: -298.808133
where:
bonds (distance) C4'-P energy: -68.933
bonds (distance) P-C4' energy: -67.700
flat angles C4'-P-C4' energy: -65.626
flat angles P-C4'-P energy: -42.898
tors. eta vs tors. theta energy: -53.651
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: 8, replica: 2
=====================================
Write number: 152
Temperature: 1.250000
Total energy: -659.824663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -659.824663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -659.824663 (E_RNA)
where:
Base-Base interactions energy: -399.116
where: short stacking energy: -185.841
Base-Backbone interact. energy: 0.844
local terms energy: -261.552754
where:
bonds (distance) C4'-P energy: -68.475
bonds (distance) P-C4' energy: -70.396
flat angles C4'-P-C4' energy: -55.916
flat angles P-C4'-P energy: -43.706
tors. eta vs tors. theta energy: -23.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 152
Temperature: 1.300000
Total energy: -451.796015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.796015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.796015 (E_RNA)
where:
Base-Base interactions energy: -219.242
where: short stacking energy: -118.890
Base-Backbone interact. energy: 6.008
local terms energy: -238.561945
where:
bonds (distance) C4'-P energy: -61.518
bonds (distance) P-C4' energy: -76.525
flat angles C4'-P-C4' energy: -66.247
flat angles P-C4'-P energy: -29.733
tors. eta vs tors. theta energy: -4.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 152
Temperature: 1.350000
Total energy: -384.016951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.016951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.016951 (E_RNA)
where:
Base-Base interactions energy: -168.734
where: short stacking energy: -113.674
Base-Backbone interact. energy: -0.335
local terms energy: -214.948061
where:
bonds (distance) C4'-P energy: -70.253
bonds (distance) P-C4' energy: -66.659
flat angles C4'-P-C4' energy: -52.804
flat angles P-C4'-P energy: -33.986
tors. eta vs tors. theta energy: 8.753
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: 7
=====================================
Write number: 153
Temperature: 0.900000
Total energy: -1406.458170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1406.458170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1406.458170 (E_RNA)
where:
Base-Base interactions energy: -999.448
where: short stacking energy: -416.975
Base-Backbone interact. energy: -0.377
local terms energy: -406.633007
where:
bonds (distance) C4'-P energy: -77.728
bonds (distance) P-C4' energy: -69.140
flat angles C4'-P-C4' energy: -90.885
flat angles P-C4'-P energy: -57.743
tors. eta vs tors. theta energy: -111.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 153
Temperature: 0.950000
Total energy: -1298.248684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1298.248684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1298.248684 (E_RNA)
where:
Base-Base interactions energy: -900.017
where: short stacking energy: -364.828
Base-Backbone interact. energy: -1.829
local terms energy: -396.403119
where:
bonds (distance) C4'-P energy: -79.520
bonds (distance) P-C4' energy: -75.132
flat angles C4'-P-C4' energy: -74.446
flat angles P-C4'-P energy: -57.197
tors. eta vs tors. theta energy: -110.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 153
Temperature: 1.000000
Total energy: -1250.150467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1250.150467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1250.150467 (E_RNA)
where:
Base-Base interactions energy: -861.570
where: short stacking energy: -365.960
Base-Backbone interact. energy: -2.804
local terms energy: -385.776378
where:
bonds (distance) C4'-P energy: -64.113
bonds (distance) P-C4' energy: -72.198
flat angles C4'-P-C4' energy: -84.531
flat angles P-C4'-P energy: -56.117
tors. eta vs tors. theta energy: -108.816
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: 153
Temperature: 1.050000
Total energy: -1165.510130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1165.510130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1165.510130 (E_RNA)
where:
Base-Base interactions energy: -805.273
where: short stacking energy: -355.419
Base-Backbone interact. energy: -1.845
local terms energy: -358.391696
where:
bonds (distance) C4'-P energy: -66.425
bonds (distance) P-C4' energy: -69.136
flat angles C4'-P-C4' energy: -82.878
flat angles P-C4'-P energy: -39.741
tors. eta vs tors. theta energy: -100.210
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: 8
=====================================
Write number: 153
Temperature: 1.100000
Total energy: -1088.379759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1088.379759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1088.379759 (E_RNA)
where:
Base-Base interactions energy: -719.614
where: short stacking energy: -332.238
Base-Backbone interact. energy: -2.212
local terms energy: -366.553651
where:
bonds (distance) C4'-P energy: -71.837
bonds (distance) P-C4' energy: -67.344
flat angles C4'-P-C4' energy: -83.174
flat angles P-C4'-P energy: -57.191
tors. eta vs tors. theta energy: -87.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 153
Temperature: 1.150000
Total energy: -990.988534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -990.988534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -990.988534 (E_RNA)
where:
Base-Base interactions energy: -664.576
where: short stacking energy: -284.005
Base-Backbone interact. energy: -0.809
local terms energy: -325.603997
where:
bonds (distance) C4'-P energy: -63.548
bonds (distance) P-C4' energy: -79.460
flat angles C4'-P-C4' energy: -65.999
flat angles P-C4'-P energy: -54.091
tors. eta vs tors. theta energy: -62.507
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: 153
Temperature: 1.200000
Total energy: -808.242189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -808.242189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -808.242189 (E_RNA)
where:
Base-Base interactions energy: -538.676
where: short stacking energy: -258.694
Base-Backbone interact. energy: 6.942
local terms energy: -276.508068
where:
bonds (distance) C4'-P energy: -35.973
bonds (distance) P-C4' energy: -66.821
flat angles C4'-P-C4' energy: -70.673
flat angles P-C4'-P energy: -36.773
tors. eta vs tors. theta energy: -66.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 153
Temperature: 1.250000
Total energy: -652.753782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -652.753782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -652.753782 (E_RNA)
where:
Base-Base interactions energy: -399.371
where: short stacking energy: -187.202
Base-Backbone interact. energy: -2.383
local terms energy: -250.999727
where:
bonds (distance) C4'-P energy: -65.764
bonds (distance) P-C4' energy: -49.643
flat angles C4'-P-C4' energy: -67.435
flat angles P-C4'-P energy: -41.984
tors. eta vs tors. theta energy: -26.173
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: 9, replica: 4
=====================================
Write number: 153
Temperature: 1.300000
Total energy: -458.968399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.968399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.968399 (E_RNA)
where:
Base-Base interactions energy: -227.360
where: short stacking energy: -127.997
Base-Backbone interact. energy: 0.640
local terms energy: -232.248761
where:
bonds (distance) C4'-P energy: -56.109
bonds (distance) P-C4' energy: -64.381
flat angles C4'-P-C4' energy: -60.211
flat angles P-C4'-P energy: -46.892
tors. eta vs tors. theta energy: -4.656
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: 10, replica: 6
=====================================
Write number: 153
Temperature: 1.350000
Total energy: -405.968517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.968517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.968517 (E_RNA)
where:
Base-Base interactions energy: -201.437
where: short stacking energy: -134.809
Base-Backbone interact. energy: -1.373
local terms energy: -203.159510
where:
bonds (distance) C4'-P energy: -31.601
bonds (distance) P-C4' energy: -68.096
flat angles C4'-P-C4' energy: -62.666
flat angles P-C4'-P energy: -26.536
tors. eta vs tors. theta energy: -14.260
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: 7
=====================================
Write number: 154
Temperature: 0.900000
Total energy: -1419.743240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1419.743240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1419.743240 (E_RNA)
where:
Base-Base interactions energy: -1001.982
where: short stacking energy: -403.172
Base-Backbone interact. energy: -2.910
local terms energy: -414.851660
where:
bonds (distance) C4'-P energy: -72.017
bonds (distance) P-C4' energy: -80.356
flat angles C4'-P-C4' energy: -86.489
flat angles P-C4'-P energy: -63.666
tors. eta vs tors. theta energy: -112.323
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: 3
=====================================
Write number: 154
Temperature: 0.950000
Total energy: -1309.351397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1309.351397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1309.351397 (E_RNA)
where:
Base-Base interactions energy: -889.687
where: short stacking energy: -380.158
Base-Backbone interact. energy: 0.721
local terms energy: -420.386044
where:
bonds (distance) C4'-P energy: -70.369
bonds (distance) P-C4' energy: -79.841
flat angles C4'-P-C4' energy: -86.159
flat angles P-C4'-P energy: -59.797
tors. eta vs tors. theta energy: -124.220
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: 3, replica: 5
=====================================
Write number: 154
Temperature: 1.000000
Total energy: -1201.454357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1201.454357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1201.454357 (E_RNA)
where:
Base-Base interactions energy: -830.764
where: short stacking energy: -347.213
Base-Backbone interact. energy: 1.771
local terms energy: -372.461044
where:
bonds (distance) C4'-P energy: -72.071
bonds (distance) P-C4' energy: -73.147
flat angles C4'-P-C4' energy: -81.300
flat angles P-C4'-P energy: -50.693
tors. eta vs tors. theta energy: -95.250
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: 4, replica: 9
=====================================
Write number: 154
Temperature: 1.050000
Total energy: -1211.475876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1211.475876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1211.475876 (E_RNA)
where:
Base-Base interactions energy: -857.498
where: short stacking energy: -359.592
Base-Backbone interact. energy: -0.935
local terms energy: -353.042789
where:
bonds (distance) C4'-P energy: -66.796
bonds (distance) P-C4' energy: -70.606
flat angles C4'-P-C4' energy: -69.638
flat angles P-C4'-P energy: -53.523
tors. eta vs tors. theta energy: -92.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 154
Temperature: 1.100000
Total energy: -1097.518749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1097.518749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1097.518749 (E_RNA)
where:
Base-Base interactions energy: -722.668
where: short stacking energy: -318.795
Base-Backbone interact. energy: -1.210
local terms energy: -373.640148
where:
bonds (distance) C4'-P energy: -79.973
bonds (distance) P-C4' energy: -67.681
flat angles C4'-P-C4' energy: -77.553
flat angles P-C4'-P energy: -53.177
tors. eta vs tors. theta energy: -95.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 154
Temperature: 1.150000
Total energy: -1004.179094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1004.179094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1004.179094 (E_RNA)
where:
Base-Base interactions energy: -658.192
where: short stacking energy: -298.586
Base-Backbone interact. energy: 0.162
local terms energy: -346.149035
where:
bonds (distance) C4'-P energy: -75.376
bonds (distance) P-C4' energy: -64.119
flat angles C4'-P-C4' energy: -80.668
flat angles P-C4'-P energy: -50.741
tors. eta vs tors. theta energy: -75.245
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: 1
=====================================
Write number: 154
Temperature: 1.200000
Total energy: -768.689111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -768.689111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -768.689111 (E_RNA)
where:
Base-Base interactions energy: -486.676
where: short stacking energy: -226.786
Base-Backbone interact. energy: -1.290
local terms energy: -280.723570
where:
bonds (distance) C4'-P energy: -61.222
bonds (distance) P-C4' energy: -65.852
flat angles C4'-P-C4' energy: -69.716
flat angles P-C4'-P energy: -38.648
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: 2
=====================================
Write number: 154
Temperature: 1.250000
Total energy: -647.215784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -647.215784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -647.215784 (E_RNA)
where:
Base-Base interactions energy: -405.436
where: short stacking energy: -200.092
Base-Backbone interact. energy: -1.739
local terms energy: -240.041607
where:
bonds (distance) C4'-P energy: -61.768
bonds (distance) P-C4' energy: -68.620
flat angles C4'-P-C4' energy: -49.016
flat angles P-C4'-P energy: -36.140
tors. eta vs tors. theta energy: -24.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 154
Temperature: 1.300000
Total energy: -461.387927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.387927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.387927 (E_RNA)
where:
Base-Base interactions energy: -230.932
where: short stacking energy: -141.817
Base-Backbone interact. energy: 2.117
local terms energy: -232.572409
where:
bonds (distance) C4'-P energy: -66.947
bonds (distance) P-C4' energy: -70.963
flat angles C4'-P-C4' energy: -47.946
flat angles P-C4'-P energy: -36.014
tors. eta vs tors. theta energy: -10.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 154
Temperature: 1.350000
Total energy: -404.756749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.756749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.756749 (E_RNA)
where:
Base-Base interactions energy: -191.308
where: short stacking energy: -120.204
Base-Backbone interact. energy: 0.071
local terms energy: -213.520515
where:
bonds (distance) C4'-P energy: -65.680
bonds (distance) P-C4' energy: -63.180
flat angles C4'-P-C4' energy: -50.046
flat angles P-C4'-P energy: -31.629
tors. eta vs tors. theta energy: -2.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 155
Temperature: 0.900000
Total energy: -1421.118609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1421.118609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1421.118609 (E_RNA)
where:
Base-Base interactions energy: -1002.701
where: short stacking energy: -401.562
Base-Backbone interact. energy: -4.023
local terms energy: -414.394649
where:
bonds (distance) C4'-P energy: -81.788
bonds (distance) P-C4' energy: -66.611
flat angles C4'-P-C4' energy: -87.273
flat angles P-C4'-P energy: -66.082
tors. eta vs tors. theta energy: -112.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 155
Temperature: 0.950000
Total energy: -1298.287891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1298.287891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1298.287891 (E_RNA)
where:
Base-Base interactions energy: -888.926
where: short stacking energy: -386.096
Base-Backbone interact. energy: 0.215
local terms energy: -409.577086
where:
bonds (distance) C4'-P energy: -76.057
bonds (distance) P-C4' energy: -78.064
flat angles C4'-P-C4' energy: -86.189
flat angles P-C4'-P energy: -50.845
tors. eta vs tors. theta energy: -118.422
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: 155
Temperature: 1.000000
Total energy: -1231.549366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1231.549366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1231.549366 (E_RNA)
where:
Base-Base interactions energy: -829.356
where: short stacking energy: -352.766
Base-Backbone interact. energy: -2.805
local terms energy: -399.388191
where:
bonds (distance) C4'-P energy: -73.293
bonds (distance) P-C4' energy: -75.689
flat angles C4'-P-C4' energy: -80.962
flat angles P-C4'-P energy: -64.889
tors. eta vs tors. theta energy: -104.555
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: 4, replica: 9
=====================================
Write number: 155
Temperature: 1.050000
Total energy: -1210.215501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1210.215501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1210.215501 (E_RNA)
where:
Base-Base interactions energy: -834.830
where: short stacking energy: -349.690
Base-Backbone interact. energy: -0.124
local terms energy: -375.324609
where:
bonds (distance) C4'-P energy: -72.463
bonds (distance) P-C4' energy: -75.751
flat angles C4'-P-C4' energy: -71.341
flat angles P-C4'-P energy: -48.064
tors. eta vs tors. theta energy: -107.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.063 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 155
Temperature: 1.100000
Total energy: -1070.082761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1070.082761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1070.082761 (E_RNA)
where:
Base-Base interactions energy: -718.229
where: short stacking energy: -330.813
Base-Backbone interact. energy: 1.779
local terms energy: -353.632378
where:
bonds (distance) C4'-P energy: -62.661
bonds (distance) P-C4' energy: -72.061
flat angles C4'-P-C4' energy: -72.818
flat angles P-C4'-P energy: -53.227
tors. eta vs tors. theta energy: -92.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 155
Temperature: 1.150000
Total energy: -952.812289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -952.812289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -952.812289 (E_RNA)
where:
Base-Base interactions energy: -628.604
where: short stacking energy: -256.032
Base-Backbone interact. energy: 1.578
local terms energy: -325.787078
where:
bonds (distance) C4'-P energy: -85.837
bonds (distance) P-C4' energy: -63.077
flat angles C4'-P-C4' energy: -68.587
flat angles P-C4'-P energy: -48.672
tors. eta vs tors. theta energy: -59.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 155
Temperature: 1.200000
Total energy: -801.129943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -801.129943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -801.129943 (E_RNA)
where:
Base-Base interactions energy: -490.792
where: short stacking energy: -238.334
Base-Backbone interact. energy: -0.628
local terms energy: -309.709889
where:
bonds (distance) C4'-P energy: -56.807
bonds (distance) P-C4' energy: -77.521
flat angles C4'-P-C4' energy: -69.289
flat angles P-C4'-P energy: -50.834
tors. eta vs tors. theta energy: -55.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 155
Temperature: 1.250000
Total energy: -654.384359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -654.384359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -654.384359 (E_RNA)
where:
Base-Base interactions energy: -393.081
where: short stacking energy: -184.522
Base-Backbone interact. energy: -0.817
local terms energy: -260.486433
where:
bonds (distance) C4'-P energy: -67.306
bonds (distance) P-C4' energy: -63.142
flat angles C4'-P-C4' energy: -66.884
flat angles P-C4'-P energy: -37.293
tors. eta vs tors. theta energy: -25.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 155
Temperature: 1.300000
Total energy: -448.571951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.571951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.571951 (E_RNA)
where:
Base-Base interactions energy: -245.113
where: short stacking energy: -141.806
Base-Backbone interact. energy: -2.024
local terms energy: -201.434613
where:
bonds (distance) C4'-P energy: -61.137
bonds (distance) P-C4' energy: -50.759
flat angles C4'-P-C4' energy: -60.592
flat angles P-C4'-P energy: -36.104
tors. eta vs tors. theta energy: 7.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 155
Temperature: 1.350000
Total energy: -421.743035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.743035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.743035 (E_RNA)
where:
Base-Base interactions energy: -221.442
where: short stacking energy: -113.504
Base-Backbone interact. energy: -2.748
local terms energy: -197.552908
where:
bonds (distance) C4'-P energy: -57.165
bonds (distance) P-C4' energy: -68.160
flat angles C4'-P-C4' energy: -49.576
flat angles P-C4'-P energy: -23.900
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: 7
=====================================
Write number: 156
Temperature: 0.900000
Total energy: -1434.378959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1434.378959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1434.378959 (E_RNA)
where:
Base-Base interactions energy: -998.851
where: short stacking energy: -398.739
Base-Backbone interact. energy: -2.128
local terms energy: -433.400412
where:
bonds (distance) C4'-P energy: -77.465
bonds (distance) P-C4' energy: -91.215
flat angles C4'-P-C4' energy: -83.542
flat angles P-C4'-P energy: -66.449
tors. eta vs tors. theta energy: -114.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 156
Temperature: 0.950000
Total energy: -1312.440159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1312.440159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1312.440159 (E_RNA)
where:
Base-Base interactions energy: -897.376
where: short stacking energy: -379.819
Base-Backbone interact. energy: -2.734
local terms energy: -412.330305
where:
bonds (distance) C4'-P energy: -81.348
bonds (distance) P-C4' energy: -76.645
flat angles C4'-P-C4' energy: -84.832
flat angles P-C4'-P energy: -51.738
tors. eta vs tors. theta energy: -117.768
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: 5
=====================================
Write number: 156
Temperature: 1.000000
Total energy: -1232.469751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1232.469751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1232.469751 (E_RNA)
where:
Base-Base interactions energy: -836.506
where: short stacking energy: -337.420
Base-Backbone interact. energy: -2.222
local terms energy: -393.742446
where:
bonds (distance) C4'-P energy: -72.072
bonds (distance) P-C4' energy: -76.100
flat angles C4'-P-C4' energy: -78.933
flat angles P-C4'-P energy: -59.672
tors. eta vs tors. theta energy: -106.965
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: 9
=====================================
Write number: 156
Temperature: 1.050000
Total energy: -1220.290111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1220.290111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1220.290111 (E_RNA)
where:
Base-Base interactions energy: -836.253
where: short stacking energy: -346.491
Base-Backbone interact. energy: -2.036
local terms energy: -382.227533
where:
bonds (distance) C4'-P energy: -71.407
bonds (distance) P-C4' energy: -73.423
flat angles C4'-P-C4' energy: -83.023
flat angles P-C4'-P energy: -46.177
tors. eta vs tors. theta energy: -108.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.226 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 156
Temperature: 1.100000
Total energy: -1076.464124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1076.464124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1076.464124 (E_RNA)
where:
Base-Base interactions energy: -715.094
where: short stacking energy: -337.039
Base-Backbone interact. energy: -1.568
local terms energy: -359.801961
where:
bonds (distance) C4'-P energy: -65.267
bonds (distance) P-C4' energy: -73.691
flat angles C4'-P-C4' energy: -80.103
flat angles P-C4'-P energy: -57.304
tors. eta vs tors. theta energy: -83.437
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: 10
=====================================
Write number: 156
Temperature: 1.150000
Total energy: -932.255022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -932.255022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -932.255022 (E_RNA)
where:
Base-Base interactions energy: -624.298
where: short stacking energy: -255.760
Base-Backbone interact. energy: -0.501
local terms energy: -307.456255
where:
bonds (distance) C4'-P energy: -66.820
bonds (distance) P-C4' energy: -71.063
flat angles C4'-P-C4' energy: -67.238
flat angles P-C4'-P energy: -57.639
tors. eta vs tors. theta energy: -44.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 156
Temperature: 1.200000
Total energy: -809.299814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -809.299814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -809.299814 (E_RNA)
where:
Base-Base interactions energy: -518.992
where: short stacking energy: -231.591
Base-Backbone interact. energy: -1.044
local terms energy: -289.263677
where:
bonds (distance) C4'-P energy: -78.460
bonds (distance) P-C4' energy: -59.716
flat angles C4'-P-C4' energy: -63.981
flat angles P-C4'-P energy: -46.276
tors. eta vs tors. theta energy: -40.831
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: 8, replica: 2
=====================================
Write number: 156
Temperature: 1.250000
Total energy: -664.583002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -664.583002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -664.583002 (E_RNA)
where:
Base-Base interactions energy: -395.094
where: short stacking energy: -192.281
Base-Backbone interact. energy: 1.082
local terms energy: -270.571697
where:
bonds (distance) C4'-P energy: -56.887
bonds (distance) P-C4' energy: -81.602
flat angles C4'-P-C4' energy: -72.477
flat angles P-C4'-P energy: -31.310
tors. eta vs tors. theta energy: -28.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 156
Temperature: 1.300000
Total energy: -455.368222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.368222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.368222 (E_RNA)
where:
Base-Base interactions energy: -203.653
where: short stacking energy: -117.168
Base-Backbone interact. energy: 1.348
local terms energy: -253.063377
where:
bonds (distance) C4'-P energy: -70.747
bonds (distance) P-C4' energy: -64.291
flat angles C4'-P-C4' energy: -63.100
flat angles P-C4'-P energy: -43.025
tors. eta vs tors. theta energy: -11.901
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: 156
Temperature: 1.350000
Total energy: -463.079325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.079325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.079325 (E_RNA)
where:
Base-Base interactions energy: -231.668
where: short stacking energy: -145.916
Base-Backbone interact. energy: -0.936
local terms energy: -230.474988
where:
bonds (distance) C4'-P energy: -59.525
bonds (distance) P-C4' energy: -53.539
flat angles C4'-P-C4' energy: -54.223
flat angles P-C4'-P energy: -44.080
tors. eta vs tors. theta energy: -19.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 157
Temperature: 0.900000
Total energy: -1440.563304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1440.563304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1440.563304 (E_RNA)
where:
Base-Base interactions energy: -1015.427
where: short stacking energy: -396.683
Base-Backbone interact. energy: -1.004
local terms energy: -424.132173
where:
bonds (distance) C4'-P energy: -82.407
bonds (distance) P-C4' energy: -88.061
flat angles C4'-P-C4' energy: -81.248
flat angles P-C4'-P energy: -64.107
tors. eta vs tors. theta energy: -108.310
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: 3
=====================================
Write number: 157
Temperature: 0.950000
Total energy: -1284.645231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1284.645231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1284.645231 (E_RNA)
where:
Base-Base interactions energy: -882.265
where: short stacking energy: -391.948
Base-Backbone interact. energy: -0.951
local terms energy: -401.429025
where:
bonds (distance) C4'-P energy: -70.590
bonds (distance) P-C4' energy: -80.564
flat angles C4'-P-C4' energy: -82.015
flat angles P-C4'-P energy: -56.316
tors. eta vs tors. theta energy: -111.944
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: 5
=====================================
Write number: 157
Temperature: 1.000000
Total energy: -1243.464961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1243.464961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1243.464961 (E_RNA)
where:
Base-Base interactions energy: -849.818
where: short stacking energy: -359.858
Base-Backbone interact. energy: -2.379
local terms energy: -391.268122
where:
bonds (distance) C4'-P energy: -77.630
bonds (distance) P-C4' energy: -79.245
flat angles C4'-P-C4' energy: -81.404
flat angles P-C4'-P energy: -46.232
tors. eta vs tors. theta energy: -106.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 157
Temperature: 1.050000
Total energy: -1215.078245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1215.078245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1215.078245 (E_RNA)
where:
Base-Base interactions energy: -839.584
where: short stacking energy: -362.496
Base-Backbone interact. energy: 3.076
local terms energy: -378.570374
where:
bonds (distance) C4'-P energy: -61.740
bonds (distance) P-C4' energy: -72.893
flat angles C4'-P-C4' energy: -83.060
flat angles P-C4'-P energy: -56.564
tors. eta vs tors. theta energy: -104.313
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: 8
=====================================
Write number: 157
Temperature: 1.100000
Total energy: -1098.756661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1098.756661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1098.756661 (E_RNA)
where:
Base-Base interactions energy: -742.969
where: short stacking energy: -334.628
Base-Backbone interact. energy: -2.802
local terms energy: -352.985965
where:
bonds (distance) C4'-P energy: -62.462
bonds (distance) P-C4' energy: -77.612
flat angles C4'-P-C4' energy: -79.060
flat angles P-C4'-P energy: -36.719
tors. eta vs tors. theta energy: -97.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 157
Temperature: 1.150000
Total energy: -950.388266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -950.388266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -950.388266 (E_RNA)
where:
Base-Base interactions energy: -644.486
where: short stacking energy: -278.992
Base-Backbone interact. energy: 1.974
local terms energy: -307.876235
where:
bonds (distance) C4'-P energy: -54.824
bonds (distance) P-C4' energy: -65.400
flat angles C4'-P-C4' energy: -69.220
flat angles P-C4'-P energy: -58.494
tors. eta vs tors. theta energy: -59.937
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: 157
Temperature: 1.200000
Total energy: -812.800333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -812.800333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -812.800333 (E_RNA)
where:
Base-Base interactions energy: -532.930
where: short stacking energy: -223.649
Base-Backbone interact. energy: -2.174
local terms energy: -277.696473
where:
bonds (distance) C4'-P energy: -73.187
bonds (distance) P-C4' energy: -72.590
flat angles C4'-P-C4' energy: -75.285
flat angles P-C4'-P energy: -31.452
tors. eta vs tors. theta energy: -25.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 157
Temperature: 1.250000
Total energy: -633.820671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -633.820671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -633.820671 (E_RNA)
where:
Base-Base interactions energy: -374.595
where: short stacking energy: -172.159
Base-Backbone interact. energy: -2.179
local terms energy: -257.046525
where:
bonds (distance) C4'-P energy: -61.444
bonds (distance) P-C4' energy: -78.976
flat angles C4'-P-C4' energy: -61.065
flat angles P-C4'-P energy: -35.050
tors. eta vs tors. theta energy: -20.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 157
Temperature: 1.300000
Total energy: -449.973068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.973068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.973068 (E_RNA)
where:
Base-Base interactions energy: -223.055
where: short stacking energy: -130.519
Base-Backbone interact. energy: -0.289
local terms energy: -226.628477
where:
bonds (distance) C4'-P energy: -63.854
bonds (distance) P-C4' energy: -54.922
flat angles C4'-P-C4' energy: -63.158
flat angles P-C4'-P energy: -40.430
tors. eta vs tors. theta energy: -4.265
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: 157
Temperature: 1.350000
Total energy: -431.352310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.352310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.352310 (E_RNA)
where:
Base-Base interactions energy: -207.539
where: short stacking energy: -101.072
Base-Backbone interact. energy: -1.126
local terms energy: -222.687565
where:
bonds (distance) C4'-P energy: -56.402
bonds (distance) P-C4' energy: -66.272
flat angles C4'-P-C4' energy: -57.749
flat angles P-C4'-P energy: -52.190
tors. eta vs tors. theta energy: 9.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 158
Temperature: 0.900000
Total energy: -1441.785499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1441.785499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1441.785499 (E_RNA)
where:
Base-Base interactions energy: -1020.849
where: short stacking energy: -416.513
Base-Backbone interact. energy: -2.753
local terms energy: -418.183416
where:
bonds (distance) C4'-P energy: -80.606
bonds (distance) P-C4' energy: -71.194
flat angles C4'-P-C4' energy: -91.790
flat angles P-C4'-P energy: -61.920
tors. eta vs tors. theta energy: -112.674
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: 2, replica: 3
=====================================
Write number: 158
Temperature: 0.950000
Total energy: -1323.188319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1323.188319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1323.188319 (E_RNA)
where:
Base-Base interactions energy: -901.498
where: short stacking energy: -398.669
Base-Backbone interact. energy: -1.377
local terms energy: -420.313335
where:
bonds (distance) C4'-P energy: -86.634
bonds (distance) P-C4' energy: -66.725
flat angles C4'-P-C4' energy: -81.894
flat angles P-C4'-P energy: -61.449
tors. eta vs tors. theta energy: -123.612
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: 9
=====================================
Write number: 158
Temperature: 1.000000
Total energy: -1231.497021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1231.497021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1231.497021 (E_RNA)
where:
Base-Base interactions energy: -849.349
where: short stacking energy: -367.091
Base-Backbone interact. energy: 6.237
local terms energy: -388.385058
where:
bonds (distance) C4'-P energy: -65.139
bonds (distance) P-C4' energy: -68.391
flat angles C4'-P-C4' energy: -87.436
flat angles P-C4'-P energy: -62.645
tors. eta vs tors. theta energy: -104.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 158
Temperature: 1.050000
Total energy: -1189.141455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1189.141455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1189.141455 (E_RNA)
where:
Base-Base interactions energy: -821.012
where: short stacking energy: -364.302
Base-Backbone interact. energy: -2.929
local terms energy: -365.201187
where:
bonds (distance) C4'-P energy: -68.801
bonds (distance) P-C4' energy: -55.328
flat angles C4'-P-C4' energy: -87.369
flat angles P-C4'-P energy: -49.788
tors. eta vs tors. theta energy: -103.916
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: 8
=====================================
Write number: 158
Temperature: 1.100000
Total energy: -1097.476044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1097.476044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1097.476044 (E_RNA)
where:
Base-Base interactions energy: -742.495
where: short stacking energy: -330.062
Base-Backbone interact. energy: -2.560
local terms energy: -352.420906
where:
bonds (distance) C4'-P energy: -74.544
bonds (distance) P-C4' energy: -72.294
flat angles C4'-P-C4' energy: -74.754
flat angles P-C4'-P energy: -46.224
tors. eta vs tors. theta energy: -84.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 158
Temperature: 1.150000
Total energy: -973.798678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -973.798678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -973.798678 (E_RNA)
where:
Base-Base interactions energy: -652.079
where: short stacking energy: -277.938
Base-Backbone interact. energy: -0.866
local terms energy: -320.852743
where:
bonds (distance) C4'-P energy: -62.720
bonds (distance) P-C4' energy: -75.305
flat angles C4'-P-C4' energy: -67.777
flat angles P-C4'-P energy: -47.418
tors. eta vs tors. theta energy: -67.633
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: 1
=====================================
Write number: 158
Temperature: 1.200000
Total energy: -789.539240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -789.539240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -789.539240 (E_RNA)
where:
Base-Base interactions energy: -503.158
where: short stacking energy: -226.689
Base-Backbone interact. energy: 0.548
local terms energy: -286.929191
where:
bonds (distance) C4'-P energy: -58.404
bonds (distance) P-C4' energy: -69.070
flat angles C4'-P-C4' energy: -68.656
flat angles P-C4'-P energy: -45.297
tors. eta vs tors. theta energy: -45.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 158
Temperature: 1.250000
Total energy: -649.016246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -649.016246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -649.016246 (E_RNA)
where:
Base-Base interactions energy: -402.409
where: short stacking energy: -202.415
Base-Backbone interact. energy: -1.589
local terms energy: -245.018427
where:
bonds (distance) C4'-P energy: -42.440
bonds (distance) P-C4' energy: -71.754
flat angles C4'-P-C4' energy: -65.098
flat angles P-C4'-P energy: -36.096
tors. eta vs tors. theta energy: -29.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 158
Temperature: 1.300000
Total energy: -452.796812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.796812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.796812 (E_RNA)
where:
Base-Base interactions energy: -216.113
where: short stacking energy: -140.865
Base-Backbone interact. energy: 0.044
local terms energy: -236.727936
where:
bonds (distance) C4'-P energy: -62.902
bonds (distance) P-C4' energy: -74.234
flat angles C4'-P-C4' energy: -59.371
flat angles P-C4'-P energy: -35.647
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: 158
Temperature: 1.350000
Total energy: -471.305036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.305036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.305036 (E_RNA)
where:
Base-Base interactions energy: -251.278
where: short stacking energy: -137.063
Base-Backbone interact. energy: -2.192
local terms energy: -217.835846
where:
bonds (distance) C4'-P energy: -79.874
bonds (distance) P-C4' energy: -39.867
flat angles C4'-P-C4' energy: -51.424
flat angles P-C4'-P energy: -28.036
tors. eta vs tors. theta energy: -18.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 159
Temperature: 0.900000
Total energy: -1434.125999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1434.125999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1434.125999 (E_RNA)
where:
Base-Base interactions energy: -1022.935
where: short stacking energy: -406.911
Base-Backbone interact. energy: -1.938
local terms energy: -409.252368
where:
bonds (distance) C4'-P energy: -78.979
bonds (distance) P-C4' energy: -75.212
flat angles C4'-P-C4' energy: -86.641
flat angles P-C4'-P energy: -51.868
tors. eta vs tors. theta energy: -116.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 159
Temperature: 0.950000
Total energy: -1281.225653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1281.225653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1281.225653 (E_RNA)
where:
Base-Base interactions energy: -881.417
where: short stacking energy: -353.361
Base-Backbone interact. energy: -1.305
local terms energy: -398.504008
where:
bonds (distance) C4'-P energy: -73.435
bonds (distance) P-C4' energy: -73.764
flat angles C4'-P-C4' energy: -88.858
flat angles P-C4'-P energy: -58.970
tors. eta vs tors. theta energy: -103.476
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: 159
Temperature: 1.000000
Total energy: -1308.153989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1308.153989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1308.153989 (E_RNA)
where:
Base-Base interactions energy: -883.126
where: short stacking energy: -388.587
Base-Backbone interact. energy: -1.796
local terms energy: -423.231991
where:
bonds (distance) C4'-P energy: -85.361
bonds (distance) P-C4' energy: -78.774
flat angles C4'-P-C4' energy: -88.438
flat angles P-C4'-P energy: -57.630
tors. eta vs tors. theta energy: -113.028
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: 5
=====================================
Write number: 159
Temperature: 1.050000
Total energy: -1182.982504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1182.982504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1182.982504 (E_RNA)
where:
Base-Base interactions energy: -797.075
where: short stacking energy: -340.281
Base-Backbone interact. energy: -0.460
local terms energy: -385.447508
where:
bonds (distance) C4'-P energy: -68.301
bonds (distance) P-C4' energy: -79.388
flat angles C4'-P-C4' energy: -75.949
flat angles P-C4'-P energy: -54.701
tors. eta vs tors. theta energy: -107.108
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: 8
=====================================
Write number: 159
Temperature: 1.100000
Total energy: -1085.758123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1085.758123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1085.758123 (E_RNA)
where:
Base-Base interactions energy: -720.623
where: short stacking energy: -316.235
Base-Backbone interact. energy: -1.739
local terms energy: -363.395689
where:
bonds (distance) C4'-P energy: -66.471
bonds (distance) P-C4' energy: -72.254
flat angles C4'-P-C4' energy: -81.226
flat angles P-C4'-P energy: -46.444
tors. eta vs tors. theta energy: -97.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 159
Temperature: 1.150000
Total energy: -948.463267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -948.463267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -948.463267 (E_RNA)
where:
Base-Base interactions energy: -632.515
where: short stacking energy: -249.893
Base-Backbone interact. energy: 0.170
local terms energy: -316.118662
where:
bonds (distance) C4'-P energy: -64.425
bonds (distance) P-C4' energy: -66.325
flat angles C4'-P-C4' energy: -81.982
flat angles P-C4'-P energy: -47.851
tors. eta vs tors. theta energy: -55.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 159
Temperature: 1.200000
Total energy: -792.988059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -792.988059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -792.988059 (E_RNA)
where:
Base-Base interactions energy: -509.907
where: short stacking energy: -242.522
Base-Backbone interact. energy: -1.377
local terms energy: -281.703990
where:
bonds (distance) C4'-P energy: -60.632
bonds (distance) P-C4' energy: -60.553
flat angles C4'-P-C4' energy: -75.417
flat angles P-C4'-P energy: -36.083
tors. eta vs tors. theta energy: -49.019
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: 2
=====================================
Write number: 159
Temperature: 1.250000
Total energy: -659.996778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -659.996778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -659.996778 (E_RNA)
where:
Base-Base interactions energy: -386.055
where: short stacking energy: -196.070
Base-Backbone interact. energy: -0.869
local terms energy: -273.072406
where:
bonds (distance) C4'-P energy: -56.350
bonds (distance) P-C4' energy: -54.928
flat angles C4'-P-C4' energy: -78.428
flat angles P-C4'-P energy: -44.132
tors. eta vs tors. theta energy: -39.234
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: 6
=====================================
Write number: 159
Temperature: 1.300000
Total energy: -473.400044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.400044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.400044 (E_RNA)
where:
Base-Base interactions energy: -260.356
where: short stacking energy: -143.702
Base-Backbone interact. energy: -1.416
local terms energy: -211.628570
where:
bonds (distance) C4'-P energy: -45.869
bonds (distance) P-C4' energy: -70.157
flat angles C4'-P-C4' energy: -68.629
flat angles P-C4'-P energy: -22.710
tors. eta vs tors. theta energy: -4.263
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: 159
Temperature: 1.350000
Total energy: -504.922214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.922214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.922214 (E_RNA)
where:
Base-Base interactions energy: -272.658
where: short stacking energy: -133.687
Base-Backbone interact. energy: -0.266
local terms energy: -231.998676
where:
bonds (distance) C4'-P energy: -77.295
bonds (distance) P-C4' energy: -62.342
flat angles C4'-P-C4' energy: -57.094
flat angles P-C4'-P energy: -30.130
tors. eta vs tors. theta energy: -5.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 160
Temperature: 0.900000
Total energy: -1445.397821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1445.397821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1445.397821 (E_RNA)
where:
Base-Base interactions energy: -1023.918
where: short stacking energy: -412.910
Base-Backbone interact. energy: -3.493
local terms energy: -417.987171
where:
bonds (distance) C4'-P energy: -79.506
bonds (distance) P-C4' energy: -84.984
flat angles C4'-P-C4' energy: -82.867
flat angles P-C4'-P energy: -53.991
tors. eta vs tors. theta energy: -116.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 160
Temperature: 0.950000
Total energy: -1261.014553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1261.014553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1261.014553 (E_RNA)
where:
Base-Base interactions energy: -866.872
where: short stacking energy: -357.254
Base-Backbone interact. energy: -1.147
local terms energy: -392.995502
where:
bonds (distance) C4'-P energy: -68.122
bonds (distance) P-C4' energy: -79.261
flat angles C4'-P-C4' energy: -79.738
flat angles P-C4'-P energy: -55.105
tors. eta vs tors. theta energy: -110.769
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: 160
Temperature: 1.000000
Total energy: -1286.096655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1286.096655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1286.096655 (E_RNA)
where:
Base-Base interactions energy: -878.249
where: short stacking energy: -383.413
Base-Backbone interact. energy: -0.402
local terms energy: -407.445388
where:
bonds (distance) C4'-P energy: -74.433
bonds (distance) P-C4' energy: -78.509
flat angles C4'-P-C4' energy: -82.321
flat angles P-C4'-P energy: -58.439
tors. eta vs tors. theta energy: -113.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 160
Temperature: 1.050000
Total energy: -1181.613079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1181.613079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1181.613079 (E_RNA)
where:
Base-Base interactions energy: -806.461
where: short stacking energy: -365.452
Base-Backbone interact. energy: -2.868
local terms energy: -372.283675
where:
bonds (distance) C4'-P energy: -69.039
bonds (distance) P-C4' energy: -73.433
flat angles C4'-P-C4' energy: -73.206
flat angles P-C4'-P energy: -58.263
tors. eta vs tors. theta energy: -98.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 160
Temperature: 1.100000
Total energy: -1056.933940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1056.933940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1056.933940 (E_RNA)
where:
Base-Base interactions energy: -704.124
where: short stacking energy: -322.381
Base-Backbone interact. energy: -1.796
local terms energy: -351.014271
where:
bonds (distance) C4'-P energy: -65.486
bonds (distance) P-C4' energy: -65.990
flat angles C4'-P-C4' energy: -83.477
flat angles P-C4'-P energy: -50.538
tors. eta vs tors. theta energy: -85.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 160
Temperature: 1.150000
Total energy: -960.669904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -960.669904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -960.669904 (E_RNA)
where:
Base-Base interactions energy: -635.404
where: short stacking energy: -269.253
Base-Backbone interact. energy: -2.137
local terms energy: -323.128571
where:
bonds (distance) C4'-P energy: -52.312
bonds (distance) P-C4' energy: -73.398
flat angles C4'-P-C4' energy: -81.234
flat angles P-C4'-P energy: -57.056
tors. eta vs tors. theta energy: -59.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 160
Temperature: 1.200000
Total energy: -725.453926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -725.453926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -725.453926 (E_RNA)
where:
Base-Base interactions energy: -452.869
where: short stacking energy: -220.840
Base-Backbone interact. energy: -2.049
local terms energy: -270.535463
where:
bonds (distance) C4'-P energy: -62.194
bonds (distance) P-C4' energy: -65.705
flat angles C4'-P-C4' energy: -59.404
flat angles P-C4'-P energy: -41.519
tors. eta vs tors. theta energy: -41.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 160
Temperature: 1.250000
Total energy: -618.130532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -618.130532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -618.130532 (E_RNA)
where:
Base-Base interactions energy: -372.907
where: short stacking energy: -175.837
Base-Backbone interact. energy: -1.579
local terms energy: -243.643900
where:
bonds (distance) C4'-P energy: -65.977
bonds (distance) P-C4' energy: -67.935
flat angles C4'-P-C4' energy: -58.479
flat angles P-C4'-P energy: -34.440
tors. eta vs tors. theta energy: -16.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 160
Temperature: 1.300000
Total energy: -514.405439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.405439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.405439 (E_RNA)
where:
Base-Base interactions energy: -267.940
where: short stacking energy: -130.245
Base-Backbone interact. energy: -1.221
local terms energy: -245.243948
where:
bonds (distance) C4'-P energy: -73.634
bonds (distance) P-C4' energy: -55.398
flat angles C4'-P-C4' energy: -50.414
flat angles P-C4'-P energy: -43.020
tors. eta vs tors. theta energy: -22.778
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: 6
=====================================
Write number: 160
Temperature: 1.350000
Total energy: -504.363626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.363626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.363626 (E_RNA)
where:
Base-Base interactions energy: -277.542
where: short stacking energy: -146.548
Base-Backbone interact. energy: 0.041
local terms energy: -226.863353
where:
bonds (distance) C4'-P energy: -72.682
bonds (distance) P-C4' energy: -51.396
flat angles C4'-P-C4' energy: -75.578
flat angles P-C4'-P energy: -28.147
tors. eta vs tors. theta energy: 0.939
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: 1, replica: 7
=====================================
Write number: 161
Temperature: 0.900000
Total energy: -1412.637841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1412.637841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1412.637841 (E_RNA)
where:
Base-Base interactions energy: -986.008
where: short stacking energy: -406.590
Base-Backbone interact. energy: -2.046
local terms energy: -424.583949
where:
bonds (distance) C4'-P energy: -81.908
bonds (distance) P-C4' energy: -86.586
flat angles C4'-P-C4' energy: -85.098
flat angles P-C4'-P energy: -59.747
tors. eta vs tors. theta energy: -111.245
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: 3
=====================================
Write number: 161
Temperature: 0.950000
Total energy: -1317.588809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1317.588809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1317.588809 (E_RNA)
where:
Base-Base interactions energy: -894.699
where: short stacking energy: -394.885
Base-Backbone interact. energy: -1.158
local terms energy: -421.731283
where:
bonds (distance) C4'-P energy: -72.884
bonds (distance) P-C4' energy: -76.643
flat angles C4'-P-C4' energy: -89.904
flat angles P-C4'-P energy: -57.687
tors. eta vs tors. theta energy: -124.613
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: 9
=====================================
Write number: 161
Temperature: 1.000000
Total energy: -1222.195615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1222.195615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1222.195615 (E_RNA)
where:
Base-Base interactions energy: -846.940
where: short stacking energy: -344.708
Base-Backbone interact. energy: 0.840
local terms energy: -376.095502
where:
bonds (distance) C4'-P energy: -67.205
bonds (distance) P-C4' energy: -75.093
flat angles C4'-P-C4' energy: -83.301
flat angles P-C4'-P energy: -56.231
tors. eta vs tors. theta energy: -94.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 161
Temperature: 1.050000
Total energy: -1215.172860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1215.172860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1215.172860 (E_RNA)
where:
Base-Base interactions energy: -821.982
where: short stacking energy: -338.316
Base-Backbone interact. energy: -1.607
local terms energy: -391.583975
where:
bonds (distance) C4'-P energy: -76.626
bonds (distance) P-C4' energy: -77.022
flat angles C4'-P-C4' energy: -80.477
flat angles P-C4'-P energy: -55.716
tors. eta vs tors. theta energy: -101.743
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: 8
=====================================
Write number: 161
Temperature: 1.100000
Total energy: -1084.276175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1084.276175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1084.276175 (E_RNA)
where:
Base-Base interactions energy: -730.851
where: short stacking energy: -325.208
Base-Backbone interact. energy: -1.472
local terms energy: -351.953066
where:
bonds (distance) C4'-P energy: -69.907
bonds (distance) P-C4' energy: -74.475
flat angles C4'-P-C4' energy: -72.198
flat angles P-C4'-P energy: -52.380
tors. eta vs tors. theta energy: -82.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 161
Temperature: 1.150000
Total energy: -985.637954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -985.637954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -985.637954 (E_RNA)
where:
Base-Base interactions energy: -662.890
where: short stacking energy: -281.876
Base-Backbone interact. energy: 2.059
local terms energy: -324.806378
where:
bonds (distance) C4'-P energy: -72.364
bonds (distance) P-C4' energy: -70.108
flat angles C4'-P-C4' energy: -75.296
flat angles P-C4'-P energy: -45.990
tors. eta vs tors. theta energy: -61.049
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: 1
=====================================
Write number: 161
Temperature: 1.200000
Total energy: -805.392192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -805.392192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -805.392192 (E_RNA)
where:
Base-Base interactions energy: -520.739
where: short stacking energy: -240.913
Base-Backbone interact. energy: -2.230
local terms energy: -282.422582
where:
bonds (distance) C4'-P energy: -62.045
bonds (distance) P-C4' energy: -64.313
flat angles C4'-P-C4' energy: -68.842
flat angles P-C4'-P energy: -34.668
tors. eta vs tors. theta energy: -52.554
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: 2
=====================================
Write number: 161
Temperature: 1.250000
Total energy: -660.232705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -660.232705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -660.232705 (E_RNA)
where:
Base-Base interactions energy: -404.382
where: short stacking energy: -197.655
Base-Backbone interact. energy: -1.564
local terms energy: -254.286353
where:
bonds (distance) C4'-P energy: -65.489
bonds (distance) P-C4' energy: -68.978
flat angles C4'-P-C4' energy: -63.666
flat angles P-C4'-P energy: -27.191
tors. eta vs tors. theta energy: -28.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 161
Temperature: 1.300000
Total energy: -499.572204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.572204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.572204 (E_RNA)
where:
Base-Base interactions energy: -280.351
where: short stacking energy: -153.784
Base-Backbone interact. energy: 0.543
local terms energy: -219.764977
where:
bonds (distance) C4'-P energy: -62.796
bonds (distance) P-C4' energy: -61.159
flat angles C4'-P-C4' energy: -44.179
flat angles P-C4'-P energy: -37.325
tors. eta vs tors. theta energy: -14.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 161
Temperature: 1.350000
Total energy: -474.816931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.816931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.816931 (E_RNA)
where:
Base-Base interactions energy: -260.567
where: short stacking energy: -133.316
Base-Backbone interact. energy: 6.238
local terms energy: -220.487345
where:
bonds (distance) C4'-P energy: -56.855
bonds (distance) P-C4' energy: -73.314
flat angles C4'-P-C4' energy: -49.333
flat angles P-C4'-P energy: -29.501
tors. eta vs tors. theta energy: -11.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 162
Temperature: 0.900000
Total energy: -1411.021307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1411.021307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1411.021307 (E_RNA)
where:
Base-Base interactions energy: -992.971
where: short stacking energy: -421.193
Base-Backbone interact. energy: -0.428
local terms energy: -417.622372
where:
bonds (distance) C4'-P energy: -68.563
bonds (distance) P-C4' energy: -76.540
flat angles C4'-P-C4' energy: -91.523
flat angles P-C4'-P energy: -64.453
tors. eta vs tors. theta energy: -116.545
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: 2, replica: 3
=====================================
Write number: 162
Temperature: 0.950000
Total energy: -1341.062474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1341.062474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1341.062474 (E_RNA)
where:
Base-Base interactions energy: -924.417
where: short stacking energy: -387.145
Base-Backbone interact. energy: 1.921
local terms energy: -418.566888
where:
bonds (distance) C4'-P energy: -79.261
bonds (distance) P-C4' energy: -73.099
flat angles C4'-P-C4' energy: -94.249
flat angles P-C4'-P energy: -56.866
tors. eta vs tors. theta energy: -115.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 162
Temperature: 1.000000
Total energy: -1301.958098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1301.958098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1301.958098 (E_RNA)
where:
Base-Base interactions energy: -896.909
where: short stacking energy: -380.702
Base-Backbone interact. energy: -0.809
local terms energy: -404.240199
where:
bonds (distance) C4'-P energy: -70.567
bonds (distance) P-C4' energy: -79.043
flat angles C4'-P-C4' energy: -90.474
flat angles P-C4'-P energy: -55.708
tors. eta vs tors. theta energy: -108.447
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: 9
=====================================
Write number: 162
Temperature: 1.050000
Total energy: -1219.088204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1219.088204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1219.088204 (E_RNA)
where:
Base-Base interactions energy: -829.002
where: short stacking energy: -357.405
Base-Backbone interact. energy: -0.895
local terms energy: -389.535776
where:
bonds (distance) C4'-P energy: -76.238
bonds (distance) P-C4' energy: -78.769
flat angles C4'-P-C4' energy: -84.088
flat angles P-C4'-P energy: -49.173
tors. eta vs tors. theta energy: -101.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.345 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 162
Temperature: 1.100000
Total energy: -1094.302003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1094.302003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1094.302003 (E_RNA)
where:
Base-Base interactions energy: -717.763
where: short stacking energy: -314.772
Base-Backbone interact. energy: -1.934
local terms energy: -374.605341
where:
bonds (distance) C4'-P energy: -72.081
bonds (distance) P-C4' energy: -72.799
flat angles C4'-P-C4' energy: -78.245
flat angles P-C4'-P energy: -58.295
tors. eta vs tors. theta energy: -93.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 162
Temperature: 1.150000
Total energy: -981.882439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -981.882439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -981.882439 (E_RNA)
where:
Base-Base interactions energy: -654.731
where: short stacking energy: -258.145
Base-Backbone interact. energy: 2.622
local terms energy: -329.773197
where:
bonds (distance) C4'-P energy: -75.724
bonds (distance) P-C4' energy: -74.226
flat angles C4'-P-C4' energy: -84.718
flat angles P-C4'-P energy: -35.623
tors. eta vs tors. theta energy: -59.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 162
Temperature: 1.200000
Total energy: -851.096305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -851.096305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -851.096305 (E_RNA)
where:
Base-Base interactions energy: -535.658
where: short stacking energy: -245.113
Base-Backbone interact. energy: -2.533
local terms energy: -312.942517
where:
bonds (distance) C4'-P energy: -68.001
bonds (distance) P-C4' energy: -61.062
flat angles C4'-P-C4' energy: -65.298
flat angles P-C4'-P energy: -53.874
tors. eta vs tors. theta energy: -64.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.037 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 162
Temperature: 1.250000
Total energy: -667.411367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -667.411367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -667.411367 (E_RNA)
where:
Base-Base interactions energy: -385.338
where: short stacking energy: -184.994
Base-Backbone interact. energy: 4.435
local terms energy: -286.509223
where:
bonds (distance) C4'-P energy: -73.822
bonds (distance) P-C4' energy: -75.726
flat angles C4'-P-C4' energy: -55.277
flat angles P-C4'-P energy: -50.610
tors. eta vs tors. theta energy: -31.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 162
Temperature: 1.300000
Total energy: -560.880980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.880980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.880980 (E_RNA)
where:
Base-Base interactions energy: -336.106
where: short stacking energy: -140.178
Base-Backbone interact. energy: 1.765
local terms energy: -226.540388
where:
bonds (distance) C4'-P energy: -58.459
bonds (distance) P-C4' energy: -64.627
flat angles C4'-P-C4' energy: -57.005
flat angles P-C4'-P energy: -36.122
tors. eta vs tors. theta energy: -10.328
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: 4
=====================================
Write number: 162
Temperature: 1.350000
Total energy: -492.839332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.839332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.839332 (E_RNA)
where:
Base-Base interactions energy: -267.494
where: short stacking energy: -136.108
Base-Backbone interact. energy: -0.048
local terms energy: -225.297160
where:
bonds (distance) C4'-P energy: -72.060
bonds (distance) P-C4' energy: -68.104
flat angles C4'-P-C4' energy: -58.486
flat angles P-C4'-P energy: -29.322
tors. eta vs tors. theta energy: 2.675
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: 1, replica: 7
=====================================
Write number: 163
Temperature: 0.900000
Total energy: -1426.924394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1426.924394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1426.924394 (E_RNA)
where:
Base-Base interactions energy: -1002.942
where: short stacking energy: -424.871
Base-Backbone interact. energy: -0.821
local terms energy: -423.161175
where:
bonds (distance) C4'-P energy: -73.504
bonds (distance) P-C4' energy: -75.887
flat angles C4'-P-C4' energy: -93.330
flat angles P-C4'-P energy: -58.082
tors. eta vs tors. theta energy: -122.358
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: 2, replica: 5
=====================================
Write number: 163
Temperature: 0.950000
Total energy: -1323.094043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1323.094043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1323.094043 (E_RNA)
where:
Base-Base interactions energy: -922.701
where: short stacking energy: -361.364
Base-Backbone interact. energy: -4.230
local terms energy: -396.162496
where:
bonds (distance) C4'-P energy: -70.855
bonds (distance) P-C4' energy: -81.895
flat angles C4'-P-C4' energy: -80.639
flat angles P-C4'-P energy: -57.570
tors. eta vs tors. theta energy: -105.204
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: 3
=====================================
Write number: 163
Temperature: 1.000000
Total energy: -1278.873738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1278.873738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1278.873738 (E_RNA)
where:
Base-Base interactions energy: -886.274
where: short stacking energy: -365.063
Base-Backbone interact. energy: -2.654
local terms energy: -389.945730
where:
bonds (distance) C4'-P energy: -68.492
bonds (distance) P-C4' energy: -79.622
flat angles C4'-P-C4' energy: -82.414
flat angles P-C4'-P energy: -54.827
tors. eta vs tors. theta energy: -104.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 163
Temperature: 1.050000
Total energy: -1187.154034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1187.154034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1187.154034 (E_RNA)
where:
Base-Base interactions energy: -808.938
where: short stacking energy: -354.228
Base-Backbone interact. energy: -1.629
local terms energy: -376.606504
where:
bonds (distance) C4'-P energy: -70.028
bonds (distance) P-C4' energy: -75.705
flat angles C4'-P-C4' energy: -85.033
flat angles P-C4'-P energy: -47.975
tors. eta vs tors. theta energy: -97.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.019 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 163
Temperature: 1.100000
Total energy: -1089.659529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1089.659529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1089.659529 (E_RNA)
where:
Base-Base interactions energy: -740.487
where: short stacking energy: -324.735
Base-Backbone interact. energy: -1.072
local terms energy: -348.099960
where:
bonds (distance) C4'-P energy: -79.198
bonds (distance) P-C4' energy: -55.175
flat angles C4'-P-C4' energy: -79.034
flat angles P-C4'-P energy: -50.332
tors. eta vs tors. theta energy: -84.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 163
Temperature: 1.150000
Total energy: -1008.543784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1008.543784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1008.543784 (E_RNA)
where:
Base-Base interactions energy: -683.754
where: short stacking energy: -299.006
Base-Backbone interact. energy: -2.018
local terms energy: -322.772005
where:
bonds (distance) C4'-P energy: -53.638
bonds (distance) P-C4' energy: -68.945
flat angles C4'-P-C4' energy: -69.588
flat angles P-C4'-P energy: -55.324
tors. eta vs tors. theta energy: -75.276
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: 7, replica: 1
=====================================
Write number: 163
Temperature: 1.200000
Total energy: -850.469848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -850.469848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -850.469848 (E_RNA)
where:
Base-Base interactions energy: -573.836
where: short stacking energy: -258.532
Base-Backbone interact. energy: 1.903
local terms energy: -278.537069
where:
bonds (distance) C4'-P energy: -58.734
bonds (distance) P-C4' energy: -63.295
flat angles C4'-P-C4' energy: -55.853
flat angles P-C4'-P energy: -38.445
tors. eta vs tors. theta energy: -62.210
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: 2
=====================================
Write number: 163
Temperature: 1.250000
Total energy: -664.724217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -664.724217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -664.724217 (E_RNA)
where:
Base-Base interactions energy: -393.224
where: short stacking energy: -207.568
Base-Backbone interact. energy: -1.604
local terms energy: -269.895602
where:
bonds (distance) C4'-P energy: -59.298
bonds (distance) P-C4' energy: -57.908
flat angles C4'-P-C4' energy: -75.783
flat angles P-C4'-P energy: -34.793
tors. eta vs tors. theta energy: -42.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 163
Temperature: 1.300000
Total energy: -589.135367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -589.135367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -589.135367 (E_RNA)
where:
Base-Base interactions energy: -332.655
where: short stacking energy: -163.422
Base-Backbone interact. energy: -2.927
local terms energy: -253.554099
where:
bonds (distance) C4'-P energy: -75.435
bonds (distance) P-C4' energy: -69.794
flat angles C4'-P-C4' energy: -65.492
flat angles P-C4'-P energy: -26.191
tors. eta vs tors. theta energy: -16.643
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: 10, replica: 4
=====================================
Write number: 163
Temperature: 1.350000
Total energy: -489.986153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.986153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.986153 (E_RNA)
where:
Base-Base interactions energy: -272.482
where: short stacking energy: -152.747
Base-Backbone interact. energy: 5.734
local terms energy: -223.238310
where:
bonds (distance) C4'-P energy: -52.795
bonds (distance) P-C4' energy: -57.394
flat angles C4'-P-C4' energy: -66.816
flat angles P-C4'-P energy: -41.341
tors. eta vs tors. theta energy: -4.892
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: 7
=====================================
Write number: 164
Temperature: 0.900000
Total energy: -1422.341988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1422.341988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1422.341988 (E_RNA)
where:
Base-Base interactions energy: -976.977
where: short stacking energy: -410.064
Base-Backbone interact. energy: -2.516
local terms energy: -442.848375
where:
bonds (distance) C4'-P energy: -85.818
bonds (distance) P-C4' energy: -83.617
flat angles C4'-P-C4' energy: -90.971
flat angles P-C4'-P energy: -61.745
tors. eta vs tors. theta energy: -120.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 164
Temperature: 0.950000
Total energy: -1311.856463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1311.856463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1311.856463 (E_RNA)
where:
Base-Base interactions energy: -913.017
where: short stacking energy: -382.199
Base-Backbone interact. energy: -2.209
local terms energy: -396.629966
where:
bonds (distance) C4'-P energy: -72.820
bonds (distance) P-C4' energy: -80.155
flat angles C4'-P-C4' energy: -81.128
flat angles P-C4'-P energy: -54.404
tors. eta vs tors. theta energy: -108.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 164
Temperature: 1.000000
Total energy: -1295.486061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1295.486061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1295.486061 (E_RNA)
where:
Base-Base interactions energy: -899.365
where: short stacking energy: -372.170
Base-Backbone interact. energy: -1.508
local terms energy: -394.612901
where:
bonds (distance) C4'-P energy: -76.003
bonds (distance) P-C4' energy: -73.777
flat angles C4'-P-C4' energy: -79.341
flat angles P-C4'-P energy: -57.139
tors. eta vs tors. theta energy: -108.352
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: 9
=====================================
Write number: 164
Temperature: 1.050000
Total energy: -1215.053564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1215.053564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1215.053564 (E_RNA)
where:
Base-Base interactions energy: -822.372
where: short stacking energy: -354.952
Base-Backbone interact. energy: -2.663
local terms energy: -390.018514
where:
bonds (distance) C4'-P energy: -76.030
bonds (distance) P-C4' energy: -75.530
flat angles C4'-P-C4' energy: -86.473
flat angles P-C4'-P energy: -55.433
tors. eta vs tors. theta energy: -96.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 164
Temperature: 1.100000
Total energy: -1085.376647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1085.376647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1085.376647 (E_RNA)
where:
Base-Base interactions energy: -724.269
where: short stacking energy: -326.816
Base-Backbone interact. energy: -1.971
local terms energy: -359.137421
where:
bonds (distance) C4'-P energy: -77.481
bonds (distance) P-C4' energy: -71.808
flat angles C4'-P-C4' energy: -67.011
flat angles P-C4'-P energy: -56.977
tors. eta vs tors. theta energy: -85.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 164
Temperature: 1.150000
Total energy: -990.915770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -990.915770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -990.915770 (E_RNA)
where:
Base-Base interactions energy: -662.648
where: short stacking energy: -293.722
Base-Backbone interact. energy: -1.615
local terms energy: -326.653104
where:
bonds (distance) C4'-P energy: -67.119
bonds (distance) P-C4' energy: -70.286
flat angles C4'-P-C4' energy: -71.834
flat angles P-C4'-P energy: -50.737
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: 7, replica: 1
=====================================
Write number: 164
Temperature: 1.200000
Total energy: -803.559187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -803.559187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -803.559187 (E_RNA)
where:
Base-Base interactions energy: -499.852
where: short stacking energy: -211.709
Base-Backbone interact. energy: 2.060
local terms energy: -305.767826
where:
bonds (distance) C4'-P energy: -64.224
bonds (distance) P-C4' energy: -73.523
flat angles C4'-P-C4' energy: -66.360
flat angles P-C4'-P energy: -46.796
tors. eta vs tors. theta energy: -54.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 164
Temperature: 1.250000
Total energy: -711.273071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -711.273071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -711.273071 (E_RNA)
where:
Base-Base interactions energy: -436.509
where: short stacking energy: -229.399
Base-Backbone interact. energy: -1.964
local terms energy: -272.800326
where:
bonds (distance) C4'-P energy: -43.134
bonds (distance) P-C4' energy: -77.532
flat angles C4'-P-C4' energy: -59.019
flat angles P-C4'-P energy: -47.436
tors. eta vs tors. theta energy: -45.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 164
Temperature: 1.300000
Total energy: -548.924136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.924136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.924136 (E_RNA)
where:
Base-Base interactions energy: -307.522
where: short stacking energy: -153.183
Base-Backbone interact. energy: -0.582
local terms energy: -240.820342
where:
bonds (distance) C4'-P energy: -70.908
bonds (distance) P-C4' energy: -58.205
flat angles C4'-P-C4' energy: -63.846
flat angles P-C4'-P energy: -47.247
tors. eta vs tors. theta energy: -0.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 164
Temperature: 1.350000
Total energy: -464.820357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -464.820357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -464.820357 (E_RNA)
where:
Base-Base interactions energy: -242.022
where: short stacking energy: -115.760
Base-Backbone interact. energy: -1.432
local terms energy: -221.365867
where:
bonds (distance) C4'-P energy: -74.237
bonds (distance) P-C4' energy: -53.778
flat angles C4'-P-C4' energy: -64.416
flat angles P-C4'-P energy: -28.626
tors. eta vs tors. theta energy: -0.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 165
Temperature: 0.900000
Total energy: -1414.245549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1414.245549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1414.245549 (E_RNA)
where:
Base-Base interactions energy: -996.048
where: short stacking energy: -428.295
Base-Backbone interact. energy: -2.478
local terms energy: -415.719644
where:
bonds (distance) C4'-P energy: -77.638
bonds (distance) P-C4' energy: -71.759
flat angles C4'-P-C4' energy: -83.909
flat angles P-C4'-P energy: -64.693
tors. eta vs tors. theta energy: -117.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 165
Temperature: 0.950000
Total energy: -1318.808158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1318.808158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1318.808158 (E_RNA)
where:
Base-Base interactions energy: -916.363
where: short stacking energy: -396.005
Base-Backbone interact. energy: -1.249
local terms energy: -401.196352
where:
bonds (distance) C4'-P energy: -80.196
bonds (distance) P-C4' energy: -68.426
flat angles C4'-P-C4' energy: -86.202
flat angles P-C4'-P energy: -54.704
tors. eta vs tors. theta energy: -111.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 165
Temperature: 1.000000
Total energy: -1292.980270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1292.980270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1292.980270 (E_RNA)
where:
Base-Base interactions energy: -912.627
where: short stacking energy: -377.273
Base-Backbone interact. energy: -1.258
local terms energy: -379.095128
where:
bonds (distance) C4'-P energy: -67.523
bonds (distance) P-C4' energy: -68.621
flat angles C4'-P-C4' energy: -81.060
flat angles P-C4'-P energy: -54.758
tors. eta vs tors. theta energy: -107.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 165
Temperature: 1.050000
Total energy: -1220.759314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1220.759314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1220.759314 (E_RNA)
where:
Base-Base interactions energy: -842.860
where: short stacking energy: -376.168
Base-Backbone interact. energy: -0.904
local terms energy: -376.995294
where:
bonds (distance) C4'-P energy: -65.139
bonds (distance) P-C4' energy: -73.274
flat angles C4'-P-C4' energy: -85.312
flat angles P-C4'-P energy: -50.816
tors. eta vs tors. theta energy: -102.455
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: 8
=====================================
Write number: 165
Temperature: 1.100000
Total energy: -1110.993897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1110.993897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1110.993897 (E_RNA)
where:
Base-Base interactions energy: -753.798
where: short stacking energy: -327.367
Base-Backbone interact. energy: -2.157
local terms energy: -355.038581
where:
bonds (distance) C4'-P energy: -67.790
bonds (distance) P-C4' energy: -64.362
flat angles C4'-P-C4' energy: -85.712
flat angles P-C4'-P energy: -41.599
tors. eta vs tors. theta energy: -95.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 165
Temperature: 1.150000
Total energy: -1035.133372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1035.133372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1035.133372 (E_RNA)
where:
Base-Base interactions energy: -697.489
where: short stacking energy: -296.771
Base-Backbone interact. energy: -3.008
local terms energy: -334.635984
where:
bonds (distance) C4'-P energy: -67.626
bonds (distance) P-C4' energy: -66.784
flat angles C4'-P-C4' energy: -71.708
flat angles P-C4'-P energy: -55.331
tors. eta vs tors. theta energy: -73.187
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: 1
=====================================
Write number: 165
Temperature: 1.200000
Total energy: -809.320238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -809.320238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -809.320238 (E_RNA)
where:
Base-Base interactions energy: -519.185
where: short stacking energy: -230.990
Base-Backbone interact. energy: -0.627
local terms energy: -289.507551
where:
bonds (distance) C4'-P energy: -50.923
bonds (distance) P-C4' energy: -72.822
flat angles C4'-P-C4' energy: -67.603
flat angles P-C4'-P energy: -42.509
tors. eta vs tors. theta energy: -55.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 165
Temperature: 1.250000
Total energy: -665.217602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -665.217602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -665.217602 (E_RNA)
where:
Base-Base interactions energy: -410.683
where: short stacking energy: -191.871
Base-Backbone interact. energy: -0.961
local terms energy: -253.574229
where:
bonds (distance) C4'-P energy: -52.261
bonds (distance) P-C4' energy: -54.555
flat angles C4'-P-C4' energy: -61.196
flat angles P-C4'-P energy: -34.590
tors. eta vs tors. theta energy: -50.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 165
Temperature: 1.300000
Total energy: -554.305903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.305903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.305903 (E_RNA)
where:
Base-Base interactions energy: -319.621
where: short stacking energy: -144.001
Base-Backbone interact. energy: -2.727
local terms energy: -231.957670
where:
bonds (distance) C4'-P energy: -58.095
bonds (distance) P-C4' energy: -68.530
flat angles C4'-P-C4' energy: -49.418
flat angles P-C4'-P energy: -47.465
tors. eta vs tors. theta energy: -8.450
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: 165
Temperature: 1.350000
Total energy: -489.957763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.957763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.957763 (E_RNA)
where:
Base-Base interactions energy: -264.675
where: short stacking energy: -153.968
Base-Backbone interact. energy: -2.122
local terms energy: -223.161106
where:
bonds (distance) C4'-P energy: -68.094
bonds (distance) P-C4' energy: -58.802
flat angles C4'-P-C4' energy: -51.952
flat angles P-C4'-P energy: -25.449
tors. eta vs tors. theta energy: -18.864
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: 7
=====================================
Write number: 166
Temperature: 0.900000
Total energy: -1411.817272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1411.817272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1411.817272 (E_RNA)
where:
Base-Base interactions energy: -975.541
where: short stacking energy: -416.421
Base-Backbone interact. energy: -1.860
local terms energy: -434.416256
where:
bonds (distance) C4'-P energy: -81.692
bonds (distance) P-C4' energy: -77.658
flat angles C4'-P-C4' energy: -88.503
flat angles P-C4'-P energy: -69.189
tors. eta vs tors. theta energy: -117.374
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: 3
=====================================
Write number: 166
Temperature: 0.950000
Total energy: -1320.501116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1320.501116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1320.501116 (E_RNA)
where:
Base-Base interactions energy: -905.811
where: short stacking energy: -397.445
Base-Backbone interact. energy: 1.344
local terms energy: -416.034666
where:
bonds (distance) C4'-P energy: -80.065
bonds (distance) P-C4' energy: -86.279
flat angles C4'-P-C4' energy: -85.619
flat angles P-C4'-P energy: -51.774
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: 3, replica: 5
=====================================
Write number: 166
Temperature: 1.000000
Total energy: -1253.805629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1253.805629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1253.805629 (E_RNA)
where:
Base-Base interactions energy: -859.197
where: short stacking energy: -365.467
Base-Backbone interact. energy: -1.231
local terms energy: -393.378136
where:
bonds (distance) C4'-P energy: -68.026
bonds (distance) P-C4' energy: -80.568
flat angles C4'-P-C4' energy: -80.797
flat angles P-C4'-P energy: -52.958
tors. eta vs tors. theta energy: -111.028
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: 9
=====================================
Write number: 166
Temperature: 1.050000
Total energy: -1201.913195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1201.913195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1201.913195 (E_RNA)
where:
Base-Base interactions energy: -825.934
where: short stacking energy: -336.898
Base-Backbone interact. energy: 1.155
local terms energy: -377.134396
where:
bonds (distance) C4'-P energy: -73.217
bonds (distance) P-C4' energy: -79.787
flat angles C4'-P-C4' energy: -77.581
flat angles P-C4'-P energy: -52.757
tors. eta vs tors. theta energy: -93.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 166
Temperature: 1.100000
Total energy: -1105.813400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1105.813400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1105.813400 (E_RNA)
where:
Base-Base interactions energy: -760.439
where: short stacking energy: -361.163
Base-Backbone interact. energy: -1.457
local terms energy: -343.916946
where:
bonds (distance) C4'-P energy: -66.598
bonds (distance) P-C4' energy: -61.140
flat angles C4'-P-C4' energy: -71.090
flat angles P-C4'-P energy: -44.450
tors. eta vs tors. theta energy: -100.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 166
Temperature: 1.150000
Total energy: -974.459659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -974.459659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -974.459659 (E_RNA)
where:
Base-Base interactions energy: -678.330
where: short stacking energy: -278.642
Base-Backbone interact. energy: -2.895
local terms energy: -293.234657
where:
bonds (distance) C4'-P energy: -70.817
bonds (distance) P-C4' energy: -52.372
flat angles C4'-P-C4' energy: -63.590
flat angles P-C4'-P energy: -43.235
tors. eta vs tors. theta energy: -63.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 166
Temperature: 1.200000
Total energy: -827.967023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -827.967023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -827.967023 (E_RNA)
where:
Base-Base interactions energy: -541.724
where: short stacking energy: -238.698
Base-Backbone interact. energy: -0.709
local terms energy: -285.533690
where:
bonds (distance) C4'-P energy: -59.625
bonds (distance) P-C4' energy: -64.400
flat angles C4'-P-C4' energy: -77.631
flat angles P-C4'-P energy: -30.959
tors. eta vs tors. theta energy: -52.919
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: 8, replica: 2
=====================================
Write number: 166
Temperature: 1.250000
Total energy: -649.903155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -649.903155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -649.903155 (E_RNA)
where:
Base-Base interactions energy: -360.824
where: short stacking energy: -188.702
Base-Backbone interact. energy: -2.354
local terms energy: -286.725060
where:
bonds (distance) C4'-P energy: -67.851
bonds (distance) P-C4' energy: -76.831
flat angles C4'-P-C4' energy: -59.719
flat angles P-C4'-P energy: -52.725
tors. eta vs tors. theta energy: -29.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 166
Temperature: 1.300000
Total energy: -563.527226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -563.527226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -563.527226 (E_RNA)
where:
Base-Base interactions energy: -322.543
where: short stacking energy: -157.244
Base-Backbone interact. energy: -2.463
local terms energy: -238.521605
where:
bonds (distance) C4'-P energy: -68.967
bonds (distance) P-C4' energy: -58.219
flat angles C4'-P-C4' energy: -63.781
flat angles P-C4'-P energy: -29.126
tors. eta vs tors. theta energy: -18.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 166
Temperature: 1.350000
Total energy: -540.266606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.266606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.266606 (E_RNA)
where:
Base-Base interactions energy: -319.749
where: short stacking energy: -162.904
Base-Backbone interact. energy: 2.001
local terms energy: -222.518847
where:
bonds (distance) C4'-P energy: -60.687
bonds (distance) P-C4' energy: -56.005
flat angles C4'-P-C4' energy: -61.216
flat angles P-C4'-P energy: -34.735
tors. eta vs tors. theta energy: -9.876
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 167
Temperature: 0.900000
Total energy: -1392.381493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1392.381493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1392.381493 (E_RNA)
where:
Base-Base interactions energy: -978.056
where: short stacking energy: -411.507
Base-Backbone interact. energy: -1.290
local terms energy: -413.036325
where:
bonds (distance) C4'-P energy: -76.886
bonds (distance) P-C4' energy: -88.287
flat angles C4'-P-C4' energy: -78.813
flat angles P-C4'-P energy: -56.536
tors. eta vs tors. theta energy: -112.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 167
Temperature: 0.950000
Total energy: -1317.087010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1317.087010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1317.087010 (E_RNA)
where:
Base-Base interactions energy: -905.878
where: short stacking energy: -382.382
Base-Backbone interact. energy: -1.403
local terms energy: -409.805816
where:
bonds (distance) C4'-P energy: -70.475
bonds (distance) P-C4' energy: -76.766
flat angles C4'-P-C4' energy: -92.493
flat angles P-C4'-P energy: -60.010
tors. eta vs tors. theta energy: -110.060
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: 5
=====================================
Write number: 167
Temperature: 1.000000
Total energy: -1259.814604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1259.814604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1259.814604 (E_RNA)
where:
Base-Base interactions energy: -867.498
where: short stacking energy: -376.483
Base-Backbone interact. energy: 0.187
local terms energy: -392.504101
where:
bonds (distance) C4'-P energy: -70.478
bonds (distance) P-C4' energy: -75.488
flat angles C4'-P-C4' energy: -80.074
flat angles P-C4'-P energy: -58.952
tors. eta vs tors. theta energy: -107.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 167
Temperature: 1.050000
Total energy: -1199.096594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1199.096594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1199.096594 (E_RNA)
where:
Base-Base interactions energy: -831.441
where: short stacking energy: -340.897
Base-Backbone interact. energy: -0.614
local terms energy: -367.041797
where:
bonds (distance) C4'-P energy: -65.289
bonds (distance) P-C4' energy: -74.991
flat angles C4'-P-C4' energy: -88.691
flat angles P-C4'-P energy: -47.477
tors. eta vs tors. theta energy: -90.593
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: 8
=====================================
Write number: 167
Temperature: 1.100000
Total energy: -1093.206032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1093.206032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1093.206032 (E_RNA)
where:
Base-Base interactions energy: -729.204
where: short stacking energy: -321.684
Base-Backbone interact. energy: -3.496
local terms energy: -360.505209
where:
bonds (distance) C4'-P energy: -70.163
bonds (distance) P-C4' energy: -66.771
flat angles C4'-P-C4' energy: -85.026
flat angles P-C4'-P energy: -50.709
tors. eta vs tors. theta energy: -87.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 167
Temperature: 1.150000
Total energy: -1054.338632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1054.338632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1054.338632 (E_RNA)
where:
Base-Base interactions energy: -690.706
where: short stacking energy: -290.640
Base-Backbone interact. energy: 2.862
local terms energy: -366.494355
where:
bonds (distance) C4'-P energy: -77.293
bonds (distance) P-C4' energy: -73.460
flat angles C4'-P-C4' energy: -79.929
flat angles P-C4'-P energy: -57.835
tors. eta vs tors. theta energy: -77.978
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: 1
=====================================
Write number: 167
Temperature: 1.200000
Total energy: -806.517475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -806.517475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -806.517475 (E_RNA)
where:
Base-Base interactions energy: -510.613
where: short stacking energy: -210.834
Base-Backbone interact. energy: 0.845
local terms energy: -296.749590
where:
bonds (distance) C4'-P energy: -70.366
bonds (distance) P-C4' energy: -71.379
flat angles C4'-P-C4' energy: -78.283
flat angles P-C4'-P energy: -38.198
tors. eta vs tors. theta energy: -38.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 167
Temperature: 1.250000
Total energy: -681.456807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -681.456807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -681.456807 (E_RNA)
where:
Base-Base interactions energy: -404.157
where: short stacking energy: -206.087
Base-Backbone interact. energy: 0.859
local terms energy: -278.158107
where:
bonds (distance) C4'-P energy: -68.303
bonds (distance) P-C4' energy: -66.054
flat angles C4'-P-C4' energy: -65.868
flat angles P-C4'-P energy: -41.159
tors. eta vs tors. theta energy: -36.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 167
Temperature: 1.300000
Total energy: -615.101585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -615.101585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -615.101585 (E_RNA)
where:
Base-Base interactions energy: -349.960
where: short stacking energy: -186.057
Base-Backbone interact. energy: -0.338
local terms energy: -264.804094
where:
bonds (distance) C4'-P energy: -67.817
bonds (distance) P-C4' energy: -63.686
flat angles C4'-P-C4' energy: -65.282
flat angles P-C4'-P energy: -41.150
tors. eta vs tors. theta energy: -26.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 167
Temperature: 1.350000
Total energy: -482.531391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.531391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.531391 (E_RNA)
where:
Base-Base interactions energy: -264.684
where: short stacking energy: -132.946
Base-Backbone interact. energy: 2.174
local terms energy: -220.021838
where:
bonds (distance) C4'-P energy: -40.911
bonds (distance) P-C4' energy: -72.087
flat angles C4'-P-C4' energy: -61.123
flat angles P-C4'-P energy: -34.943
tors. eta vs tors. theta energy: -10.958
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: 7
=====================================
Write number: 168
Temperature: 0.900000
Total energy: -1400.966166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1400.966166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1400.966166 (E_RNA)
where:
Base-Base interactions energy: -988.837
where: short stacking energy: -407.876
Base-Backbone interact. energy: -2.926
local terms energy: -409.203061
where:
bonds (distance) C4'-P energy: -76.873
bonds (distance) P-C4' energy: -71.961
flat angles C4'-P-C4' energy: -85.287
flat angles P-C4'-P energy: -62.545
tors. eta vs tors. theta energy: -112.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 168
Temperature: 0.950000
Total energy: -1297.368163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1297.368163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1297.368163 (E_RNA)
where:
Base-Base interactions energy: -905.938
where: short stacking energy: -385.318
Base-Backbone interact. energy: -1.091
local terms energy: -390.338855
where:
bonds (distance) C4'-P energy: -73.997
bonds (distance) P-C4' energy: -74.608
flat angles C4'-P-C4' energy: -84.944
flat angles P-C4'-P energy: -53.470
tors. eta vs tors. theta energy: -103.320
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: 5
=====================================
Write number: 168
Temperature: 1.000000
Total energy: -1263.109523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1263.109523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1263.109523 (E_RNA)
where:
Base-Base interactions energy: -875.530
where: short stacking energy: -371.894
Base-Backbone interact. energy: -2.302
local terms energy: -385.277683
where:
bonds (distance) C4'-P energy: -82.333
bonds (distance) P-C4' energy: -71.400
flat angles C4'-P-C4' energy: -75.654
flat angles P-C4'-P energy: -51.511
tors. eta vs tors. theta energy: -104.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 168
Temperature: 1.050000
Total energy: -1184.437176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1184.437176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1184.437176 (E_RNA)
where:
Base-Base interactions energy: -818.115
where: short stacking energy: -340.420
Base-Backbone interact. energy: 2.993
local terms energy: -369.315562
where:
bonds (distance) C4'-P energy: -59.022
bonds (distance) P-C4' energy: -81.495
flat angles C4'-P-C4' energy: -81.981
flat angles P-C4'-P energy: -53.818
tors. eta vs tors. theta energy: -93.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 168
Temperature: 1.100000
Total energy: -1130.302284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1130.302284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1130.302284 (E_RNA)
where:
Base-Base interactions energy: -747.895
where: short stacking energy: -351.879
Base-Backbone interact. energy: -0.766
local terms energy: -381.641554
where:
bonds (distance) C4'-P energy: -73.951
bonds (distance) P-C4' energy: -72.623
flat angles C4'-P-C4' energy: -79.248
flat angles P-C4'-P energy: -58.417
tors. eta vs tors. theta energy: -97.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 168
Temperature: 1.150000
Total energy: -1014.868556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1014.868556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1014.868556 (E_RNA)
where:
Base-Base interactions energy: -678.472
where: short stacking energy: -283.483
Base-Backbone interact. energy: -0.637
local terms energy: -335.759955
where:
bonds (distance) C4'-P energy: -69.218
bonds (distance) P-C4' energy: -83.627
flat angles C4'-P-C4' energy: -70.599
flat angles P-C4'-P energy: -50.558
tors. eta vs tors. theta energy: -61.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 168
Temperature: 1.200000
Total energy: -848.310773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -848.310773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -848.310773 (E_RNA)
where:
Base-Base interactions energy: -537.462
where: short stacking energy: -253.262
Base-Backbone interact. energy: -0.875
local terms energy: -309.973924
where:
bonds (distance) C4'-P energy: -73.385
bonds (distance) P-C4' energy: -54.369
flat angles C4'-P-C4' energy: -66.561
flat angles P-C4'-P energy: -53.833
tors. eta vs tors. theta energy: -61.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 168
Temperature: 1.250000
Total energy: -643.042939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -643.042939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -643.042939 (E_RNA)
where:
Base-Base interactions energy: -367.445
where: short stacking energy: -181.657
Base-Backbone interact. energy: -1.915
local terms energy: -273.682100
where:
bonds (distance) C4'-P energy: -65.431
bonds (distance) P-C4' energy: -70.443
flat angles C4'-P-C4' energy: -69.250
flat angles P-C4'-P energy: -45.531
tors. eta vs tors. theta energy: -23.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 168
Temperature: 1.300000
Total energy: -560.432044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.432044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.432044 (E_RNA)
where:
Base-Base interactions energy: -315.167
where: short stacking energy: -160.974
Base-Backbone interact. energy: 4.372
local terms energy: -249.637742
where:
bonds (distance) C4'-P energy: -68.478
bonds (distance) P-C4' energy: -73.311
flat angles C4'-P-C4' energy: -66.121
flat angles P-C4'-P energy: -31.094
tors. eta vs tors. theta energy: -10.635
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: 4
=====================================
Write number: 168
Temperature: 1.350000
Total energy: -475.935232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.935232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.935232 (E_RNA)
where:
Base-Base interactions energy: -240.278
where: short stacking energy: -126.370
Base-Backbone interact. energy: -1.128
local terms energy: -234.529079
where:
bonds (distance) C4'-P energy: -60.059
bonds (distance) P-C4' energy: -66.411
flat angles C4'-P-C4' energy: -58.984
flat angles P-C4'-P energy: -48.984
tors. eta vs tors. theta energy: -0.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 169
Temperature: 0.900000
Total energy: -1396.453820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1396.453820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1396.453820 (E_RNA)
where:
Base-Base interactions energy: -966.078
where: short stacking energy: -399.514
Base-Backbone interact. energy: -2.438
local terms energy: -427.938170
where:
bonds (distance) C4'-P energy: -80.265
bonds (distance) P-C4' energy: -78.900
flat angles C4'-P-C4' energy: -92.457
flat angles P-C4'-P energy: -64.506
tors. eta vs tors. theta energy: -111.810
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: 2, replica: 3
=====================================
Write number: 169
Temperature: 0.950000
Total energy: -1286.526432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1286.526432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1286.526432 (E_RNA)
where:
Base-Base interactions energy: -884.856
where: short stacking energy: -384.755
Base-Backbone interact. energy: -3.614
local terms energy: -398.056248
where:
bonds (distance) C4'-P energy: -76.851
bonds (distance) P-C4' energy: -74.036
flat angles C4'-P-C4' energy: -84.684
flat angles P-C4'-P energy: -50.206
tors. eta vs tors. theta energy: -112.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 169
Temperature: 1.000000
Total energy: -1242.554792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1242.554792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1242.554792 (E_RNA)
where:
Base-Base interactions energy: -858.175
where: short stacking energy: -353.579
Base-Backbone interact. energy: -0.973
local terms energy: -383.405980
where:
bonds (distance) C4'-P energy: -77.763
bonds (distance) P-C4' energy: -69.774
flat angles C4'-P-C4' energy: -88.659
flat angles P-C4'-P energy: -46.904
tors. eta vs tors. theta energy: -100.306
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: 4, replica: 9
=====================================
Write number: 169
Temperature: 1.050000
Total energy: -1174.746116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1174.746116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1174.746116 (E_RNA)
where:
Base-Base interactions energy: -801.331
where: short stacking energy: -330.936
Base-Backbone interact. energy: -3.105
local terms energy: -370.309970
where:
bonds (distance) C4'-P energy: -74.939
bonds (distance) P-C4' energy: -71.575
flat angles C4'-P-C4' energy: -92.443
flat angles P-C4'-P energy: -44.132
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: 8
=====================================
Write number: 169
Temperature: 1.100000
Total energy: -1096.522335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1096.522335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1096.522335 (E_RNA)
where:
Base-Base interactions energy: -726.212
where: short stacking energy: -342.303
Base-Backbone interact. energy: -1.204
local terms energy: -369.106768
where:
bonds (distance) C4'-P energy: -70.938
bonds (distance) P-C4' energy: -69.119
flat angles C4'-P-C4' energy: -74.704
flat angles P-C4'-P energy: -57.804
tors. eta vs tors. theta energy: -96.542
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: 6, replica: 10
=====================================
Write number: 169
Temperature: 1.150000
Total energy: -1011.312099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1011.312099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1011.312099 (E_RNA)
where:
Base-Base interactions energy: -686.924
where: short stacking energy: -280.364
Base-Backbone interact. energy: -0.902
local terms energy: -323.486034
where:
bonds (distance) C4'-P energy: -78.868
bonds (distance) P-C4' energy: -64.182
flat angles C4'-P-C4' energy: -72.285
flat angles P-C4'-P energy: -42.139
tors. eta vs tors. theta energy: -66.013
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: 169
Temperature: 1.200000
Total energy: -875.713789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -875.713789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -875.713789 (E_RNA)
where:
Base-Base interactions energy: -567.195
where: short stacking energy: -260.740
Base-Backbone interact. energy: -2.020
local terms energy: -306.498327
where:
bonds (distance) C4'-P energy: -58.621
bonds (distance) P-C4' energy: -70.342
flat angles C4'-P-C4' energy: -71.985
flat angles P-C4'-P energy: -47.811
tors. eta vs tors. theta energy: -57.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 169
Temperature: 1.250000
Total energy: -640.828243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -640.828243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -640.828243 (E_RNA)
where:
Base-Base interactions energy: -361.059
where: short stacking energy: -184.028
Base-Backbone interact. energy: -1.482
local terms energy: -278.287214
where:
bonds (distance) C4'-P energy: -65.038
bonds (distance) P-C4' energy: -69.867
flat angles C4'-P-C4' energy: -70.998
flat angles P-C4'-P energy: -46.454
tors. eta vs tors. theta energy: -25.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 169
Temperature: 1.300000
Total energy: -628.995460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -628.995460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -628.995460 (E_RNA)
where:
Base-Base interactions energy: -381.340
where: short stacking energy: -193.019
Base-Backbone interact. energy: -2.193
local terms energy: -245.462433
where:
bonds (distance) C4'-P energy: -64.266
bonds (distance) P-C4' energy: -64.927
flat angles C4'-P-C4' energy: -57.187
flat angles P-C4'-P energy: -38.298
tors. eta vs tors. theta energy: -20.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 169
Temperature: 1.350000
Total energy: -465.708489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.708489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.708489 (E_RNA)
where:
Base-Base interactions energy: -273.940
where: short stacking energy: -153.060
Base-Backbone interact. energy: 6.862
local terms energy: -198.630926
where:
bonds (distance) C4'-P energy: -48.993
bonds (distance) P-C4' energy: -53.763
flat angles C4'-P-C4' energy: -55.847
flat angles P-C4'-P energy: -39.739
tors. eta vs tors. theta energy: -0.289
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: 7
=====================================
Write number: 170
Temperature: 0.900000
Total energy: -1400.974201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1400.974201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1400.974201 (E_RNA)
where:
Base-Base interactions energy: -986.956
where: short stacking energy: -410.253
Base-Backbone interact. energy: -2.352
local terms energy: -411.666144
where:
bonds (distance) C4'-P energy: -74.730
bonds (distance) P-C4' energy: -75.972
flat angles C4'-P-C4' energy: -87.866
flat angles P-C4'-P energy: -64.917
tors. eta vs tors. theta energy: -108.181
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: 3
=====================================
Write number: 170
Temperature: 0.950000
Total energy: -1316.251835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1316.251835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1316.251835 (E_RNA)
where:
Base-Base interactions energy: -893.190
where: short stacking energy: -382.074
Base-Backbone interact. energy: -0.705
local terms energy: -422.356478
where:
bonds (distance) C4'-P energy: -73.001
bonds (distance) P-C4' energy: -83.195
flat angles C4'-P-C4' energy: -92.840
flat angles P-C4'-P energy: -59.465
tors. eta vs tors. theta energy: -113.855
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: 3, replica: 5
=====================================
Write number: 170
Temperature: 1.000000
Total energy: -1267.994615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1267.994615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1267.994615 (E_RNA)
where:
Base-Base interactions energy: -868.053
where: short stacking energy: -375.253
Base-Backbone interact. energy: -2.167
local terms energy: -397.774227
where:
bonds (distance) C4'-P energy: -65.170
bonds (distance) P-C4' energy: -71.598
flat angles C4'-P-C4' energy: -90.165
flat angles P-C4'-P energy: -57.394
tors. eta vs tors. theta energy: -113.447
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: 9
=====================================
Write number: 170
Temperature: 1.050000
Total energy: -1191.686533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1191.686533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1191.686533 (E_RNA)
where:
Base-Base interactions energy: -831.457
where: short stacking energy: -346.906
Base-Backbone interact. energy: 0.055
local terms energy: -360.285150
where:
bonds (distance) C4'-P energy: -63.459
bonds (distance) P-C4' energy: -64.201
flat angles C4'-P-C4' energy: -89.255
flat angles P-C4'-P energy: -49.073
tors. eta vs tors. theta energy: -94.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 170
Temperature: 1.100000
Total energy: -1044.896343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1044.896343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1044.896343 (E_RNA)
where:
Base-Base interactions energy: -727.359
where: short stacking energy: -284.480
Base-Backbone interact. energy: -4.755
local terms energy: -312.781792
where:
bonds (distance) C4'-P energy: -73.897
bonds (distance) P-C4' energy: -59.117
flat angles C4'-P-C4' energy: -65.347
flat angles P-C4'-P energy: -52.079
tors. eta vs tors. theta energy: -62.342
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: 170
Temperature: 1.150000
Total energy: -1045.824542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1045.824542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1045.824542 (E_RNA)
where:
Base-Base interactions energy: -676.108
where: short stacking energy: -305.429
Base-Backbone interact. energy: -1.212
local terms energy: -368.504311
where:
bonds (distance) C4'-P energy: -76.105
bonds (distance) P-C4' energy: -76.019
flat angles C4'-P-C4' energy: -76.820
flat angles P-C4'-P energy: -50.192
tors. eta vs tors. theta energy: -89.369
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: 170
Temperature: 1.200000
Total energy: -868.005925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -868.005925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -868.005925 (E_RNA)
where:
Base-Base interactions energy: -561.184
where: short stacking energy: -258.036
Base-Backbone interact. energy: -1.062
local terms energy: -305.759264
where:
bonds (distance) C4'-P energy: -67.834
bonds (distance) P-C4' energy: -57.892
flat angles C4'-P-C4' energy: -77.629
flat angles P-C4'-P energy: -36.917
tors. eta vs tors. theta energy: -65.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 170
Temperature: 1.250000
Total energy: -636.360200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -636.360200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -636.360200 (E_RNA)
where:
Base-Base interactions energy: -377.508
where: short stacking energy: -180.436
Base-Backbone interact. energy: 0.074
local terms energy: -258.926338
where:
bonds (distance) C4'-P energy: -61.122
bonds (distance) P-C4' energy: -65.588
flat angles C4'-P-C4' energy: -72.986
flat angles P-C4'-P energy: -40.466
tors. eta vs tors. theta energy: -18.764
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: 9, replica: 4
=====================================
Write number: 170
Temperature: 1.300000
Total energy: -515.984132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.984132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.984132 (E_RNA)
where:
Base-Base interactions energy: -284.932
where: short stacking energy: -143.028
Base-Backbone interact. energy: 1.432
local terms energy: -232.484204
where:
bonds (distance) C4'-P energy: -72.072
bonds (distance) P-C4' energy: -56.511
flat angles C4'-P-C4' energy: -59.850
flat angles P-C4'-P energy: -36.007
tors. eta vs tors. theta energy: -8.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 170
Temperature: 1.350000
Total energy: -536.482850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.482850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.482850 (E_RNA)
where:
Base-Base interactions energy: -293.850
where: short stacking energy: -138.977
Base-Backbone interact. energy: 2.873
local terms energy: -245.505815
where:
bonds (distance) C4'-P energy: -58.674
bonds (distance) P-C4' energy: -65.855
flat angles C4'-P-C4' energy: -63.187
flat angles P-C4'-P energy: -46.095
tors. eta vs tors. theta energy: -11.695
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: 1, replica: 7
=====================================
Write number: 171
Temperature: 0.900000
Total energy: -1405.285168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1405.285168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1405.285168 (E_RNA)
where:
Base-Base interactions energy: -976.930
where: short stacking energy: -419.381
Base-Backbone interact. energy: -2.604
local terms energy: -425.751239
where:
bonds (distance) C4'-P energy: -68.506
bonds (distance) P-C4' energy: -78.344
flat angles C4'-P-C4' energy: -94.445
flat angles P-C4'-P energy: -64.424
tors. eta vs tors. theta energy: -120.032
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: 3
=====================================
Write number: 171
Temperature: 0.950000
Total energy: -1341.766062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1341.766062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1341.766062 (E_RNA)
where:
Base-Base interactions energy: -937.303
where: short stacking energy: -388.304
Base-Backbone interact. energy: -0.834
local terms energy: -403.629057
where:
bonds (distance) C4'-P energy: -71.435
bonds (distance) P-C4' energy: -74.147
flat angles C4'-P-C4' energy: -84.195
flat angles P-C4'-P energy: -54.625
tors. eta vs tors. theta energy: -119.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 171
Temperature: 1.000000
Total energy: -1272.450043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1272.450043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1272.450043 (E_RNA)
where:
Base-Base interactions energy: -869.327
where: short stacking energy: -379.331
Base-Backbone interact. energy: -0.134
local terms energy: -402.989226
where:
bonds (distance) C4'-P energy: -85.241
bonds (distance) P-C4' energy: -72.962
flat angles C4'-P-C4' energy: -75.418
flat angles P-C4'-P energy: -56.137
tors. eta vs tors. theta energy: -113.230
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: 9
=====================================
Write number: 171
Temperature: 1.050000
Total energy: -1233.504763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1233.504763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1233.504763 (E_RNA)
where:
Base-Base interactions energy: -842.533
where: short stacking energy: -375.071
Base-Backbone interact. energy: -1.643
local terms energy: -389.328413
where:
bonds (distance) C4'-P energy: -63.188
bonds (distance) P-C4' energy: -76.971
flat angles C4'-P-C4' energy: -79.910
flat angles P-C4'-P energy: -58.597
tors. eta vs tors. theta energy: -110.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 171
Temperature: 1.100000
Total energy: -1087.399249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1087.399249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1087.399249 (E_RNA)
where:
Base-Base interactions energy: -769.406
where: short stacking energy: -339.453
Base-Backbone interact. energy: 0.504
local terms energy: -318.497110
where:
bonds (distance) C4'-P energy: -43.379
bonds (distance) P-C4' energy: -72.787
flat angles C4'-P-C4' energy: -69.625
flat angles P-C4'-P energy: -45.189
tors. eta vs tors. theta energy: -87.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 171
Temperature: 1.150000
Total energy: -1056.440273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1056.440273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1056.440273 (E_RNA)
where:
Base-Base interactions energy: -688.362
where: short stacking energy: -319.591
Base-Backbone interact. energy: -1.873
local terms energy: -366.205294
where:
bonds (distance) C4'-P energy: -67.290
bonds (distance) P-C4' energy: -73.294
flat angles C4'-P-C4' energy: -86.189
flat angles P-C4'-P energy: -53.862
tors. eta vs tors. theta energy: -85.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 171
Temperature: 1.200000
Total energy: -897.869032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -897.869032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -897.869032 (E_RNA)
where:
Base-Base interactions energy: -559.130
where: short stacking energy: -262.208
Base-Backbone interact. energy: -1.421
local terms energy: -337.317268
where:
bonds (distance) C4'-P energy: -63.345
bonds (distance) P-C4' energy: -75.546
flat angles C4'-P-C4' energy: -78.821
flat angles P-C4'-P energy: -48.394
tors. eta vs tors. theta energy: -71.211
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: 6
=====================================
Write number: 171
Temperature: 1.250000
Total energy: -651.293831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -651.293831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -651.293831 (E_RNA)
where:
Base-Base interactions energy: -403.952
where: short stacking energy: -175.695
Base-Backbone interact. energy: -1.115
local terms energy: -246.227261
where:
bonds (distance) C4'-P energy: -53.818
bonds (distance) P-C4' energy: -73.762
flat angles C4'-P-C4' energy: -59.817
flat angles P-C4'-P energy: -27.834
tors. eta vs tors. theta energy: -30.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 171
Temperature: 1.300000
Total energy: -603.101870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -603.101870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -603.101870 (E_RNA)
where:
Base-Base interactions energy: -370.947
where: short stacking energy: -172.100
Base-Backbone interact. energy: 1.366
local terms energy: -233.521154
where:
bonds (distance) C4'-P energy: -60.173
bonds (distance) P-C4' energy: -69.104
flat angles C4'-P-C4' energy: -60.266
flat angles P-C4'-P energy: -32.325
tors. eta vs tors. theta energy: -11.653
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: 2
=====================================
Write number: 171
Temperature: 1.350000
Total energy: -612.507704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -612.507704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -612.507704 (E_RNA)
where:
Base-Base interactions energy: -396.894
where: short stacking energy: -169.122
Base-Backbone interact. energy: 1.304
local terms energy: -216.917117
where:
bonds (distance) C4'-P energy: -58.785
bonds (distance) P-C4' energy: -58.810
flat angles C4'-P-C4' energy: -49.708
flat angles P-C4'-P energy: -31.401
tors. eta vs tors. theta energy: -18.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 172
Temperature: 0.900000
Total energy: -1423.786376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1423.786376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1423.786376 (E_RNA)
where:
Base-Base interactions energy: -975.469
where: short stacking energy: -410.973
Base-Backbone interact. energy: -1.744
local terms energy: -446.574088
where:
bonds (distance) C4'-P energy: -79.888
bonds (distance) P-C4' energy: -86.480
flat angles C4'-P-C4' energy: -90.385
flat angles P-C4'-P energy: -70.523
tors. eta vs tors. theta energy: -119.298
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: 3
=====================================
Write number: 172
Temperature: 0.950000
Total energy: -1327.757080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1327.757080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1327.757080 (E_RNA)
where:
Base-Base interactions energy: -913.276
where: short stacking energy: -383.809
Base-Backbone interact. energy: -1.806
local terms energy: -412.674620
where:
bonds (distance) C4'-P energy: -73.546
bonds (distance) P-C4' energy: -81.873
flat angles C4'-P-C4' energy: -88.670
flat angles P-C4'-P energy: -50.956
tors. eta vs tors. theta energy: -117.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 172
Temperature: 1.000000
Total energy: -1276.972502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1276.972502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1276.972502 (E_RNA)
where:
Base-Base interactions energy: -893.504
where: short stacking energy: -383.047
Base-Backbone interact. energy: -1.710
local terms energy: -381.757770
where:
bonds (distance) C4'-P energy: -59.551
bonds (distance) P-C4' energy: -81.338
flat angles C4'-P-C4' energy: -79.295
flat angles P-C4'-P energy: -50.770
tors. eta vs tors. theta energy: -110.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 172
Temperature: 1.050000
Total energy: -1222.176220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1222.176220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1222.176220 (E_RNA)
where:
Base-Base interactions energy: -850.309
where: short stacking energy: -352.031
Base-Backbone interact. energy: -0.372
local terms energy: -371.495515
where:
bonds (distance) C4'-P energy: -66.727
bonds (distance) P-C4' energy: -66.094
flat angles C4'-P-C4' energy: -85.644
flat angles P-C4'-P energy: -56.147
tors. eta vs tors. theta energy: -96.883
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: 10
=====================================
Write number: 172
Temperature: 1.100000
Total energy: -1076.227775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1076.227775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1076.227775 (E_RNA)
where:
Base-Base interactions energy: -737.600
where: short stacking energy: -320.971
Base-Backbone interact. energy: 0.074
local terms energy: -338.702366
where:
bonds (distance) C4'-P energy: -71.477
bonds (distance) P-C4' energy: -76.316
flat angles C4'-P-C4' energy: -66.585
flat angles P-C4'-P energy: -49.867
tors. eta vs tors. theta energy: -74.457
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: 8
=====================================
Write number: 172
Temperature: 1.150000
Total energy: -1042.144071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1042.144071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1042.144071 (E_RNA)
where:
Base-Base interactions energy: -687.152
where: short stacking energy: -297.225
Base-Backbone interact. energy: -1.441
local terms energy: -353.551235
where:
bonds (distance) C4'-P energy: -56.810
bonds (distance) P-C4' energy: -68.533
flat angles C4'-P-C4' energy: -86.514
flat angles P-C4'-P energy: -53.386
tors. eta vs tors. theta energy: -88.307
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: 172
Temperature: 1.200000
Total energy: -907.443502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -907.443502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -907.443502 (E_RNA)
where:
Base-Base interactions energy: -571.973
where: short stacking energy: -270.325
Base-Backbone interact. energy: 1.131
local terms energy: -336.600992
where:
bonds (distance) C4'-P energy: -67.259
bonds (distance) P-C4' energy: -85.931
flat angles C4'-P-C4' energy: -74.129
flat angles P-C4'-P energy: -36.885
tors. eta vs tors. theta energy: -72.397
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: 6
=====================================
Write number: 172
Temperature: 1.250000
Total energy: -615.224797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -615.224797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -615.224797 (E_RNA)
where:
Base-Base interactions energy: -345.386
where: short stacking energy: -181.708
Base-Backbone interact. energy: -1.205
local terms energy: -268.634501
where:
bonds (distance) C4'-P energy: -58.639
bonds (distance) P-C4' energy: -72.610
flat angles C4'-P-C4' energy: -72.732
flat angles P-C4'-P energy: -42.731
tors. eta vs tors. theta energy: -21.923
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: 2
=====================================
Write number: 172
Temperature: 1.300000
Total energy: -626.814791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -626.814791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -626.814791 (E_RNA)
where:
Base-Base interactions energy: -398.267
where: short stacking energy: -183.524
Base-Backbone interact. energy: 2.034
local terms energy: -230.582317
where:
bonds (distance) C4'-P energy: -57.981
bonds (distance) P-C4' energy: -48.209
flat angles C4'-P-C4' energy: -62.365
flat angles P-C4'-P energy: -40.895
tors. eta vs tors. theta energy: -21.132
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: 172
Temperature: 1.350000
Total energy: -546.252721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.252721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.252721 (E_RNA)
where:
Base-Base interactions energy: -319.655
where: short stacking energy: -158.411
Base-Backbone interact. energy: 1.843
local terms energy: -228.440822
where:
bonds (distance) C4'-P energy: -56.537
bonds (distance) P-C4' energy: -60.168
flat angles C4'-P-C4' energy: -53.434
flat angles P-C4'-P energy: -37.233
tors. eta vs tors. theta energy: -21.069
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: 7
=====================================
Write number: 173
Temperature: 0.900000
Total energy: -1415.318729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1415.318729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1415.318729 (E_RNA)
where:
Base-Base interactions energy: -981.794
where: short stacking energy: -417.578
Base-Backbone interact. energy: -3.710
local terms energy: -429.814530
where:
bonds (distance) C4'-P energy: -75.495
bonds (distance) P-C4' energy: -81.362
flat angles C4'-P-C4' energy: -91.613
flat angles P-C4'-P energy: -61.478
tors. eta vs tors. theta energy: -119.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 173
Temperature: 0.950000
Total energy: -1318.391538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1318.391538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1318.391538 (E_RNA)
where:
Base-Base interactions energy: -901.631
where: short stacking energy: -400.196
Base-Backbone interact. energy: -2.077
local terms energy: -414.683793
where:
bonds (distance) C4'-P energy: -68.853
bonds (distance) P-C4' energy: -73.098
flat angles C4'-P-C4' energy: -85.001
flat angles P-C4'-P energy: -71.759
tors. eta vs tors. theta energy: -115.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 173
Temperature: 1.000000
Total energy: -1287.602272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1287.602272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1287.602272 (E_RNA)
where:
Base-Base interactions energy: -882.969
where: short stacking energy: -380.048
Base-Backbone interact. energy: -1.133
local terms energy: -403.500536
where:
bonds (distance) C4'-P energy: -73.597
bonds (distance) P-C4' energy: -78.483
flat angles C4'-P-C4' energy: -83.071
flat angles P-C4'-P energy: -55.984
tors. eta vs tors. theta energy: -112.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 173
Temperature: 1.050000
Total energy: -1235.965292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1235.965292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1235.965292 (E_RNA)
where:
Base-Base interactions energy: -849.669
where: short stacking energy: -361.047
Base-Backbone interact. energy: 1.776
local terms energy: -388.073063
where:
bonds (distance) C4'-P energy: -74.185
bonds (distance) P-C4' energy: -76.617
flat angles C4'-P-C4' energy: -86.006
flat angles P-C4'-P energy: -57.902
tors. eta vs tors. theta energy: -93.363
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: 5, replica: 10
=====================================
Write number: 173
Temperature: 1.100000
Total energy: -1091.018825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1091.018825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1091.018825 (E_RNA)
where:
Base-Base interactions energy: -750.547
where: short stacking energy: -312.135
Base-Backbone interact. energy: -0.717
local terms energy: -339.754880
where:
bonds (distance) C4'-P energy: -61.630
bonds (distance) P-C4' energy: -72.879
flat angles C4'-P-C4' energy: -71.799
flat angles P-C4'-P energy: -54.943
tors. eta vs tors. theta energy: -78.503
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: 6, replica: 8
=====================================
Write number: 173
Temperature: 1.150000
Total energy: -1046.107491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1046.107491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1046.107491 (E_RNA)
where:
Base-Base interactions energy: -703.653
where: short stacking energy: -308.801
Base-Backbone interact. energy: -1.640
local terms energy: -340.813808
where:
bonds (distance) C4'-P energy: -67.538
bonds (distance) P-C4' energy: -69.572
flat angles C4'-P-C4' energy: -75.713
flat angles P-C4'-P energy: -46.435
tors. eta vs tors. theta energy: -81.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 173
Temperature: 1.200000
Total energy: -885.790613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -885.790613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -885.790613 (E_RNA)
where:
Base-Base interactions energy: -570.855
where: short stacking energy: -246.356
Base-Backbone interact. energy: -0.561
local terms energy: -314.374749
where:
bonds (distance) C4'-P energy: -68.422
bonds (distance) P-C4' energy: -68.364
flat angles C4'-P-C4' energy: -70.979
flat angles P-C4'-P energy: -49.884
tors. eta vs tors. theta energy: -56.727
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: 2
=====================================
Write number: 173
Temperature: 1.250000
Total energy: -636.786849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -636.786849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -636.786849 (E_RNA)
where:
Base-Base interactions energy: -389.252
where: short stacking energy: -188.113
Base-Backbone interact. energy: 4.147
local terms energy: -251.682422
where:
bonds (distance) C4'-P energy: -51.820
bonds (distance) P-C4' energy: -63.253
flat angles C4'-P-C4' energy: -65.169
flat angles P-C4'-P energy: -45.685
tors. eta vs tors. theta energy: -25.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 173
Temperature: 1.300000
Total energy: -614.794507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -614.794507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -614.794507 (E_RNA)
where:
Base-Base interactions energy: -348.198
where: short stacking energy: -179.570
Base-Backbone interact. energy: -0.156
local terms energy: -266.440630
where:
bonds (distance) C4'-P energy: -73.184
bonds (distance) P-C4' energy: -66.101
flat angles C4'-P-C4' energy: -67.586
flat angles P-C4'-P energy: -27.029
tors. eta vs tors. theta energy: -32.541
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: 10, replica: 4
=====================================
Write number: 173
Temperature: 1.350000
Total energy: -574.577829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -574.577829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -574.577829 (E_RNA)
where:
Base-Base interactions energy: -344.585
where: short stacking energy: -152.914
Base-Backbone interact. energy: 1.663
local terms energy: -231.656634
where:
bonds (distance) C4'-P energy: -63.996
bonds (distance) P-C4' energy: -56.781
flat angles C4'-P-C4' energy: -62.322
flat angles P-C4'-P energy: -33.564
tors. eta vs tors. theta energy: -14.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 174
Temperature: 0.900000
Total energy: -1427.769873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1427.769873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1427.769873 (E_RNA)
where:
Base-Base interactions energy: -991.291
where: short stacking energy: -421.226
Base-Backbone interact. energy: -2.057
local terms energy: -434.422075
where:
bonds (distance) C4'-P energy: -80.364
bonds (distance) P-C4' energy: -87.900
flat angles C4'-P-C4' energy: -84.046
flat angles P-C4'-P energy: -64.095
tors. eta vs tors. theta energy: -118.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 174
Temperature: 0.950000
Total energy: -1330.911565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1330.911565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1330.911565 (E_RNA)
where:
Base-Base interactions energy: -906.851
where: short stacking energy: -391.723
Base-Backbone interact. energy: -1.886
local terms energy: -422.174601
where:
bonds (distance) C4'-P energy: -83.033
bonds (distance) P-C4' energy: -73.205
flat angles C4'-P-C4' energy: -89.843
flat angles P-C4'-P energy: -52.721
tors. eta vs tors. theta energy: -123.372
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: 174
Temperature: 1.000000
Total energy: -1250.156134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1250.156134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1250.156134 (E_RNA)
where:
Base-Base interactions energy: -870.679
where: short stacking energy: -370.604
Base-Backbone interact. energy: -2.513
local terms energy: -376.963417
where:
bonds (distance) C4'-P energy: -63.595
bonds (distance) P-C4' energy: -76.515
flat angles C4'-P-C4' energy: -90.938
flat angles P-C4'-P energy: -50.343
tors. eta vs tors. theta energy: -95.572
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: 9
=====================================
Write number: 174
Temperature: 1.050000
Total energy: -1189.304790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1189.304790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1189.304790 (E_RNA)
where:
Base-Base interactions energy: -819.764
where: short stacking energy: -346.990
Base-Backbone interact. energy: -2.418
local terms energy: -367.122902
where:
bonds (distance) C4'-P energy: -67.006
bonds (distance) P-C4' energy: -81.830
flat angles C4'-P-C4' energy: -80.595
flat angles P-C4'-P energy: -41.754
tors. eta vs tors. theta energy: -95.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 174
Temperature: 1.100000
Total energy: -1054.491904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1054.491904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1054.491904 (E_RNA)
where:
Base-Base interactions energy: -684.048
where: short stacking energy: -328.653
Base-Backbone interact. energy: 0.279
local terms energy: -370.722202
where:
bonds (distance) C4'-P energy: -77.802
bonds (distance) P-C4' energy: -71.259
flat angles C4'-P-C4' energy: -74.137
flat angles P-C4'-P energy: -56.257
tors. eta vs tors. theta energy: -91.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 174
Temperature: 1.150000
Total energy: -1000.019250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1000.019250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1000.019250 (E_RNA)
where:
Base-Base interactions energy: -675.823
where: short stacking energy: -290.300
Base-Backbone interact. energy: -1.916
local terms energy: -322.280844
where:
bonds (distance) C4'-P energy: -60.181
bonds (distance) P-C4' energy: -71.678
flat angles C4'-P-C4' energy: -72.691
flat angles P-C4'-P energy: -42.882
tors. eta vs tors. theta energy: -74.849
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: 174
Temperature: 1.200000
Total energy: -921.934487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -921.934487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -921.934487 (E_RNA)
where:
Base-Base interactions energy: -606.902
where: short stacking energy: -284.409
Base-Backbone interact. energy: 1.642
local terms energy: -316.674083
where:
bonds (distance) C4'-P energy: -67.131
bonds (distance) P-C4' energy: -61.571
flat angles C4'-P-C4' energy: -75.313
flat angles P-C4'-P energy: -42.095
tors. eta vs tors. theta energy: -70.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 174
Temperature: 1.250000
Total energy: -662.631446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -662.631446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -662.631446 (E_RNA)
where:
Base-Base interactions energy: -387.369
where: short stacking energy: -199.807
Base-Backbone interact. energy: -0.002
local terms energy: -275.260864
where:
bonds (distance) C4'-P energy: -62.229
bonds (distance) P-C4' energy: -74.166
flat angles C4'-P-C4' energy: -67.142
flat angles P-C4'-P energy: -29.898
tors. eta vs tors. theta energy: -41.827
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: 6
=====================================
Write number: 174
Temperature: 1.300000
Total energy: -627.585327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -627.585327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -627.585327 (E_RNA)
where:
Base-Base interactions energy: -375.903
where: short stacking energy: -175.533
Base-Backbone interact. energy: -1.697
local terms energy: -249.985464
where:
bonds (distance) C4'-P energy: -75.253
bonds (distance) P-C4' energy: -56.988
flat angles C4'-P-C4' energy: -58.383
flat angles P-C4'-P energy: -34.241
tors. eta vs tors. theta energy: -25.120
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: 4
=====================================
Write number: 174
Temperature: 1.350000
Total energy: -540.587123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.587123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.587123 (E_RNA)
where:
Base-Base interactions energy: -298.749
where: short stacking energy: -147.108
Base-Backbone interact. energy: -0.949
local terms energy: -240.889241
where:
bonds (distance) C4'-P energy: -72.019
bonds (distance) P-C4' energy: -69.288
flat angles C4'-P-C4' energy: -53.841
flat angles P-C4'-P energy: -35.826
tors. eta vs tors. theta energy: -9.915
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: 1, replica: 7
=====================================
Write number: 175
Temperature: 0.900000
Total energy: -1405.447699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1405.447699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1405.447699 (E_RNA)
where:
Base-Base interactions energy: -985.624
where: short stacking energy: -408.443
Base-Backbone interact. energy: 0.159
local terms energy: -419.982944
where:
bonds (distance) C4'-P energy: -78.446
bonds (distance) P-C4' energy: -83.616
flat angles C4'-P-C4' energy: -78.962
flat angles P-C4'-P energy: -60.985
tors. eta vs tors. theta energy: -117.975
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: 3
=====================================
Write number: 175
Temperature: 0.950000
Total energy: -1325.026832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1325.026832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1325.026832 (E_RNA)
where:
Base-Base interactions energy: -914.427
where: short stacking energy: -396.813
Base-Backbone interact. energy: -1.078
local terms energy: -409.521851
where:
bonds (distance) C4'-P energy: -85.560
bonds (distance) P-C4' energy: -74.611
flat angles C4'-P-C4' energy: -86.735
flat angles P-C4'-P energy: -42.695
tors. eta vs tors. theta energy: -119.920
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: 5
=====================================
Write number: 175
Temperature: 1.000000
Total energy: -1286.686505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1286.686505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1286.686505 (E_RNA)
where:
Base-Base interactions energy: -883.906
where: short stacking energy: -375.168
Base-Backbone interact. energy: -2.112
local terms energy: -400.668638
where:
bonds (distance) C4'-P energy: -77.401
bonds (distance) P-C4' energy: -78.305
flat angles C4'-P-C4' energy: -78.242
flat angles P-C4'-P energy: -52.945
tors. eta vs tors. theta energy: -113.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 175
Temperature: 1.050000
Total energy: -1226.222340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1226.222340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1226.222340 (E_RNA)
where:
Base-Base interactions energy: -838.546
where: short stacking energy: -356.103
Base-Backbone interact. energy: 0.156
local terms energy: -387.832144
where:
bonds (distance) C4'-P energy: -71.839
bonds (distance) P-C4' energy: -74.601
flat angles C4'-P-C4' energy: -86.598
flat angles P-C4'-P energy: -53.024
tors. eta vs tors. theta energy: -101.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 175
Temperature: 1.100000
Total energy: -1030.252449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1030.252449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1030.252449 (E_RNA)
where:
Base-Base interactions energy: -695.799
where: short stacking energy: -333.676
Base-Backbone interact. energy: -0.047
local terms energy: -334.407103
where:
bonds (distance) C4'-P energy: -65.141
bonds (distance) P-C4' energy: -54.057
flat angles C4'-P-C4' energy: -79.243
flat angles P-C4'-P energy: -52.264
tors. eta vs tors. theta energy: -83.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 175
Temperature: 1.150000
Total energy: -1013.298044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1013.298044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1013.298044 (E_RNA)
where:
Base-Base interactions energy: -678.790
where: short stacking energy: -293.141
Base-Backbone interact. energy: -3.317
local terms energy: -331.191174
where:
bonds (distance) C4'-P energy: -58.059
bonds (distance) P-C4' energy: -64.958
flat angles C4'-P-C4' energy: -84.454
flat angles P-C4'-P energy: -51.399
tors. eta vs tors. theta energy: -72.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 175
Temperature: 1.200000
Total energy: -870.595213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -870.595213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -870.595213 (E_RNA)
where:
Base-Base interactions energy: -557.661
where: short stacking energy: -261.580
Base-Backbone interact. energy: -0.531
local terms energy: -312.403341
where:
bonds (distance) C4'-P energy: -59.395
bonds (distance) P-C4' energy: -56.076
flat angles C4'-P-C4' energy: -79.253
flat angles P-C4'-P energy: -43.539
tors. eta vs tors. theta energy: -74.140
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: 2
=====================================
Write number: 175
Temperature: 1.250000
Total energy: -686.724046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -686.724046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -686.724046 (E_RNA)
where:
Base-Base interactions energy: -422.570
where: short stacking energy: -197.335
Base-Backbone interact. energy: -1.604
local terms energy: -262.549874
where:
bonds (distance) C4'-P energy: -60.497
bonds (distance) P-C4' energy: -74.554
flat angles C4'-P-C4' energy: -59.511
flat angles P-C4'-P energy: -35.556
tors. eta vs tors. theta energy: -32.432
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: 6
=====================================
Write number: 175
Temperature: 1.300000
Total energy: -598.256747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -598.256747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -598.256747 (E_RNA)
where:
Base-Base interactions energy: -344.610
where: short stacking energy: -166.757
Base-Backbone interact. energy: 5.490
local terms energy: -259.136478
where:
bonds (distance) C4'-P energy: -65.521
bonds (distance) P-C4' energy: -76.727
flat angles C4'-P-C4' energy: -60.792
flat angles P-C4'-P energy: -34.376
tors. eta vs tors. theta energy: -21.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 175
Temperature: 1.350000
Total energy: -617.886784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -617.886784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -617.886784 (E_RNA)
where:
Base-Base interactions energy: -390.172
where: short stacking energy: -180.718
Base-Backbone interact. energy: -1.854
local terms energy: -225.860256
where:
bonds (distance) C4'-P energy: -51.113
bonds (distance) P-C4' energy: -59.718
flat angles C4'-P-C4' energy: -57.702
flat angles P-C4'-P energy: -33.263
tors. eta vs tors. theta energy: -24.064
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: 7
=====================================
Write number: 176
Temperature: 0.900000
Total energy: -1424.897873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1424.897873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1424.897873 (E_RNA)
where:
Base-Base interactions energy: -978.730
where: short stacking energy: -419.328
Base-Backbone interact. energy: -2.111
local terms energy: -444.056145
where:
bonds (distance) C4'-P energy: -74.056
bonds (distance) P-C4' energy: -84.825
flat angles C4'-P-C4' energy: -92.198
flat angles P-C4'-P energy: -72.921
tors. eta vs tors. theta energy: -120.057
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: 2, replica: 3
=====================================
Write number: 176
Temperature: 0.950000
Total energy: -1328.798016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1328.798016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1328.798016 (E_RNA)
where:
Base-Base interactions energy: -926.573
where: short stacking energy: -409.597
Base-Backbone interact. energy: -1.060
local terms energy: -401.164869
where:
bonds (distance) C4'-P energy: -70.176
bonds (distance) P-C4' energy: -70.437
flat angles C4'-P-C4' energy: -89.921
flat angles P-C4'-P energy: -51.411
tors. eta vs tors. theta energy: -119.220
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: 3, replica: 5
=====================================
Write number: 176
Temperature: 1.000000
Total energy: -1280.408512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1280.408512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1280.408512 (E_RNA)
where:
Base-Base interactions energy: -879.313
where: short stacking energy: -393.581
Base-Backbone interact. energy: 0.475
local terms energy: -401.570066
where:
bonds (distance) C4'-P energy: -83.136
bonds (distance) P-C4' energy: -65.743
flat angles C4'-P-C4' energy: -78.996
flat angles P-C4'-P energy: -62.770
tors. eta vs tors. theta energy: -110.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 176
Temperature: 1.050000
Total energy: -1217.894796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1217.894796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1217.894796 (E_RNA)
where:
Base-Base interactions energy: -841.038
where: short stacking energy: -350.213
Base-Backbone interact. energy: -1.968
local terms energy: -374.888775
where:
bonds (distance) C4'-P energy: -68.724
bonds (distance) P-C4' energy: -77.621
flat angles C4'-P-C4' energy: -82.810
flat angles P-C4'-P energy: -42.989
tors. eta vs tors. theta energy: -102.745
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: 8
=====================================
Write number: 176
Temperature: 1.100000
Total energy: -1082.597353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1082.597353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1082.597353 (E_RNA)
where:
Base-Base interactions energy: -723.005
where: short stacking energy: -337.927
Base-Backbone interact. energy: -1.024
local terms energy: -358.568368
where:
bonds (distance) C4'-P energy: -64.442
bonds (distance) P-C4' energy: -84.550
flat angles C4'-P-C4' energy: -75.162
flat angles P-C4'-P energy: -46.632
tors. eta vs tors. theta energy: -87.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 176
Temperature: 1.150000
Total energy: -1019.994571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1019.994571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1019.994571 (E_RNA)
where:
Base-Base interactions energy: -694.081
where: short stacking energy: -303.666
Base-Backbone interact. energy: -2.381
local terms energy: -323.532162
where:
bonds (distance) C4'-P energy: -58.901
bonds (distance) P-C4' energy: -57.446
flat angles C4'-P-C4' energy: -79.018
flat angles P-C4'-P energy: -48.588
tors. eta vs tors. theta energy: -79.579
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: 7, replica: 1
=====================================
Write number: 176
Temperature: 1.200000
Total energy: -902.629005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -902.629005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -902.629005 (E_RNA)
where:
Base-Base interactions energy: -572.727
where: short stacking energy: -266.880
Base-Backbone interact. energy: -2.006
local terms energy: -327.896428
where:
bonds (distance) C4'-P energy: -62.077
bonds (distance) P-C4' energy: -64.829
flat angles C4'-P-C4' energy: -75.299
flat angles P-C4'-P energy: -52.335
tors. eta vs tors. theta energy: -73.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 176
Temperature: 1.250000
Total energy: -652.792628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -652.792628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -652.792628 (E_RNA)
where:
Base-Base interactions energy: -383.998
where: short stacking energy: -188.003
Base-Backbone interact. energy: -1.453
local terms energy: -267.341645
where:
bonds (distance) C4'-P energy: -66.401
bonds (distance) P-C4' energy: -69.904
flat angles C4'-P-C4' energy: -65.551
flat angles P-C4'-P energy: -35.500
tors. eta vs tors. theta energy: -29.986
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: 9, replica: 6
=====================================
Write number: 176
Temperature: 1.300000
Total energy: -609.233166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -609.233166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -609.233166 (E_RNA)
where:
Base-Base interactions energy: -346.531
where: short stacking energy: -186.687
Base-Backbone interact. energy: -2.087
local terms energy: -260.614728
where:
bonds (distance) C4'-P energy: -57.145
bonds (distance) P-C4' energy: -76.752
flat angles C4'-P-C4' energy: -72.299
flat angles P-C4'-P energy: -37.982
tors. eta vs tors. theta energy: -16.437
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: 176
Temperature: 1.350000
Total energy: -531.837728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.837728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.837728 (E_RNA)
where:
Base-Base interactions energy: -310.974
where: short stacking energy: -153.354
Base-Backbone interact. energy: -2.724
local terms energy: -218.139861
where:
bonds (distance) C4'-P energy: -55.135
bonds (distance) P-C4' energy: -57.376
flat angles C4'-P-C4' energy: -63.394
flat angles P-C4'-P energy: -35.706
tors. eta vs tors. theta energy: -6.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 177
Temperature: 0.900000
Total energy: -1400.188256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1400.188256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1400.188256 (E_RNA)
where:
Base-Base interactions energy: -982.057
where: short stacking energy: -406.937
Base-Backbone interact. energy: -1.552
local terms energy: -416.579421
where:
bonds (distance) C4'-P energy: -71.306
bonds (distance) P-C4' energy: -78.888
flat angles C4'-P-C4' energy: -80.934
flat angles P-C4'-P energy: -62.917
tors. eta vs tors. theta energy: -122.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 177
Temperature: 0.950000
Total energy: -1329.719987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1329.719987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1329.719987 (E_RNA)
where:
Base-Base interactions energy: -912.513
where: short stacking energy: -384.756
Base-Backbone interact. energy: -0.664
local terms energy: -416.542132
where:
bonds (distance) C4'-P energy: -74.459
bonds (distance) P-C4' energy: -80.729
flat angles C4'-P-C4' energy: -83.840
flat angles P-C4'-P energy: -59.694
tors. eta vs tors. theta energy: -117.819
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: 5
=====================================
Write number: 177
Temperature: 1.000000
Total energy: -1254.453364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1254.453364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1254.453364 (E_RNA)
where:
Base-Base interactions energy: -861.694
where: short stacking energy: -363.771
Base-Backbone interact. energy: 0.886
local terms energy: -393.645701
where:
bonds (distance) C4'-P energy: -60.211
bonds (distance) P-C4' energy: -82.165
flat angles C4'-P-C4' energy: -86.393
flat angles P-C4'-P energy: -54.055
tors. eta vs tors. theta energy: -110.822
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: 4, replica: 9
=====================================
Write number: 177
Temperature: 1.050000
Total energy: -1228.873413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1228.873413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1228.873413 (E_RNA)
where:
Base-Base interactions energy: -840.096
where: short stacking energy: -336.145
Base-Backbone interact. energy: -1.634
local terms energy: -387.143048
where:
bonds (distance) C4'-P energy: -70.507
bonds (distance) P-C4' energy: -83.897
flat angles C4'-P-C4' energy: -85.841
flat angles P-C4'-P energy: -51.553
tors. eta vs tors. theta energy: -95.346
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: 8
=====================================
Write number: 177
Temperature: 1.100000
Total energy: -1051.298368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1051.298368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1051.298368 (E_RNA)
where:
Base-Base interactions energy: -701.361
where: short stacking energy: -329.892
Base-Backbone interact. energy: -2.337
local terms energy: -347.600271
where:
bonds (distance) C4'-P energy: -67.093
bonds (distance) P-C4' energy: -75.433
flat angles C4'-P-C4' energy: -73.646
flat angles P-C4'-P energy: -45.271
tors. eta vs tors. theta energy: -86.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 177
Temperature: 1.150000
Total energy: -1048.579843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1048.579843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1048.579843 (E_RNA)
where:
Base-Base interactions energy: -716.426
where: short stacking energy: -311.824
Base-Backbone interact. energy: -1.620
local terms energy: -330.534406
where:
bonds (distance) C4'-P energy: -69.989
bonds (distance) P-C4' energy: -67.045
flat angles C4'-P-C4' energy: -68.440
flat angles P-C4'-P energy: -52.557
tors. eta vs tors. theta energy: -72.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 177
Temperature: 1.200000
Total energy: -884.515654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -884.515654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -884.515654 (E_RNA)
where:
Base-Base interactions energy: -581.253
where: short stacking energy: -252.346
Base-Backbone interact. energy: -1.813
local terms energy: -301.450230
where:
bonds (distance) C4'-P energy: -67.607
bonds (distance) P-C4' energy: -69.107
flat angles C4'-P-C4' energy: -70.220
flat angles P-C4'-P energy: -28.439
tors. eta vs tors. theta energy: -66.076
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: 2
=====================================
Write number: 177
Temperature: 1.250000
Total energy: -707.037099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -707.037099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -707.037099 (E_RNA)
where:
Base-Base interactions energy: -432.568
where: short stacking energy: -221.722
Base-Backbone interact. energy: 0.281
local terms energy: -274.750556
where:
bonds (distance) C4'-P energy: -66.460
bonds (distance) P-C4' energy: -53.261
flat angles C4'-P-C4' energy: -71.860
flat angles P-C4'-P energy: -42.596
tors. eta vs tors. theta energy: -40.574
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: 9, replica: 6
=====================================
Write number: 177
Temperature: 1.300000
Total energy: -626.890815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -626.890815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -626.890815 (E_RNA)
where:
Base-Base interactions energy: -371.769
where: short stacking energy: -199.967
Base-Backbone interact. energy: -1.755
local terms energy: -253.366195
where:
bonds (distance) C4'-P energy: -59.398
bonds (distance) P-C4' energy: -67.102
flat angles C4'-P-C4' energy: -59.567
flat angles P-C4'-P energy: -38.164
tors. eta vs tors. theta energy: -29.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 177
Temperature: 1.350000
Total energy: -570.894656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -570.894656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -570.894656 (E_RNA)
where:
Base-Base interactions energy: -322.871
where: short stacking energy: -156.532
Base-Backbone interact. energy: 2.787
local terms energy: -250.810615
where:
bonds (distance) C4'-P energy: -71.448
bonds (distance) P-C4' energy: -71.183
flat angles C4'-P-C4' energy: -54.463
flat angles P-C4'-P energy: -40.189
tors. eta vs tors. theta energy: -13.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 178
Temperature: 0.900000
Total energy: -1411.189673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1411.189673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1411.189673 (E_RNA)
where:
Base-Base interactions energy: -983.172
where: short stacking energy: -412.959
Base-Backbone interact. energy: -1.694
local terms energy: -426.323563
where:
bonds (distance) C4'-P energy: -78.029
bonds (distance) P-C4' energy: -78.518
flat angles C4'-P-C4' energy: -89.110
flat angles P-C4'-P energy: -64.936
tors. eta vs tors. theta energy: -115.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 178
Temperature: 0.950000
Total energy: -1324.215849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1324.215849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1324.215849 (E_RNA)
where:
Base-Base interactions energy: -923.707
where: short stacking energy: -381.811
Base-Backbone interact. energy: -0.500
local terms energy: -400.008876
where:
bonds (distance) C4'-P energy: -55.340
bonds (distance) P-C4' energy: -77.425
flat angles C4'-P-C4' energy: -84.971
flat angles P-C4'-P energy: -60.618
tors. eta vs tors. theta energy: -121.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 178
Temperature: 1.000000
Total energy: -1254.675220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1254.675220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1254.675220 (E_RNA)
where:
Base-Base interactions energy: -849.255
where: short stacking energy: -370.355
Base-Backbone interact. energy: 0.333
local terms energy: -405.753750
where:
bonds (distance) C4'-P energy: -73.447
bonds (distance) P-C4' energy: -78.424
flat angles C4'-P-C4' energy: -93.512
flat angles P-C4'-P energy: -52.901
tors. eta vs tors. theta energy: -107.469
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: 9
=====================================
Write number: 178
Temperature: 1.050000
Total energy: -1210.144195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1210.144195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1210.144195 (E_RNA)
where:
Base-Base interactions energy: -838.820
where: short stacking energy: -351.526
Base-Backbone interact. energy: -0.213
local terms energy: -371.110852
where:
bonds (distance) C4'-P energy: -70.729
bonds (distance) P-C4' energy: -73.909
flat angles C4'-P-C4' energy: -80.965
flat angles P-C4'-P energy: -51.642
tors. eta vs tors. theta energy: -93.866
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: 5, replica: 8
=====================================
Write number: 178
Temperature: 1.100000
Total energy: -1065.054037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1065.054037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1065.054037 (E_RNA)
where:
Base-Base interactions energy: -711.223
where: short stacking energy: -313.425
Base-Backbone interact. energy: -0.163
local terms energy: -353.668051
where:
bonds (distance) C4'-P energy: -56.741
bonds (distance) P-C4' energy: -84.250
flat angles C4'-P-C4' energy: -70.766
flat angles P-C4'-P energy: -54.623
tors. eta vs tors. theta energy: -87.289
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: 10
=====================================
Write number: 178
Temperature: 1.150000
Total energy: -1047.394575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1047.394575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1047.394575 (E_RNA)
where:
Base-Base interactions energy: -696.172
where: short stacking energy: -297.163
Base-Backbone interact. energy: -1.310
local terms energy: -349.912728
where:
bonds (distance) C4'-P energy: -66.988
bonds (distance) P-C4' energy: -77.151
flat angles C4'-P-C4' energy: -67.160
flat angles P-C4'-P energy: -58.026
tors. eta vs tors. theta energy: -80.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 178
Temperature: 1.200000
Total energy: -848.931731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -848.931731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -848.931731 (E_RNA)
where:
Base-Base interactions energy: -547.389
where: short stacking energy: -263.012
Base-Backbone interact. energy: -2.414
local terms energy: -299.129353
where:
bonds (distance) C4'-P energy: -68.330
bonds (distance) P-C4' energy: -69.375
flat angles C4'-P-C4' energy: -60.722
flat angles P-C4'-P energy: -44.930
tors. eta vs tors. theta energy: -55.773
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: 8, replica: 2
=====================================
Write number: 178
Temperature: 1.250000
Total energy: -667.176260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -667.176260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -667.176260 (E_RNA)
where:
Base-Base interactions energy: -404.462
where: short stacking energy: -202.139
Base-Backbone interact. energy: -1.557
local terms energy: -261.157205
where:
bonds (distance) C4'-P energy: -70.660
bonds (distance) P-C4' energy: -71.536
flat angles C4'-P-C4' energy: -53.581
flat angles P-C4'-P energy: -29.189
tors. eta vs tors. theta energy: -36.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 178
Temperature: 1.300000
Total energy: -579.535492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -579.535492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -579.535492 (E_RNA)
where:
Base-Base interactions energy: -340.813
where: short stacking energy: -145.302
Base-Backbone interact. energy: -0.718
local terms energy: -238.004640
where:
bonds (distance) C4'-P energy: -72.898
bonds (distance) P-C4' energy: -65.045
flat angles C4'-P-C4' energy: -44.056
flat angles P-C4'-P energy: -40.791
tors. eta vs tors. theta energy: -15.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 178
Temperature: 1.350000
Total energy: -551.805482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.805482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.805482 (E_RNA)
where:
Base-Base interactions energy: -328.148
where: short stacking energy: -164.774
Base-Backbone interact. energy: -2.562
local terms energy: -221.096114
where:
bonds (distance) C4'-P energy: -53.255
bonds (distance) P-C4' energy: -68.011
flat angles C4'-P-C4' energy: -56.145
flat angles P-C4'-P energy: -26.741
tors. eta vs tors. theta energy: -16.944
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: 7
=====================================
Write number: 179
Temperature: 0.900000
Total energy: -1410.110664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1410.110664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1410.110664 (E_RNA)
where:
Base-Base interactions energy: -989.261
where: short stacking energy: -414.127
Base-Backbone interact. energy: -2.585
local terms energy: -418.264905
where:
bonds (distance) C4'-P energy: -87.016
bonds (distance) P-C4' energy: -76.864
flat angles C4'-P-C4' energy: -81.561
flat angles P-C4'-P energy: -55.004
tors. eta vs tors. theta energy: -117.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 179
Temperature: 0.950000
Total energy: -1321.653515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1321.653515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1321.653515 (E_RNA)
where:
Base-Base interactions energy: -912.879
where: short stacking energy: -383.164
Base-Backbone interact. energy: -0.803
local terms energy: -407.971577
where:
bonds (distance) C4'-P energy: -81.732
bonds (distance) P-C4' energy: -74.999
flat angles C4'-P-C4' energy: -76.376
flat angles P-C4'-P energy: -61.661
tors. eta vs tors. theta energy: -113.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 179
Temperature: 1.000000
Total energy: -1267.459665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1267.459665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1267.459665 (E_RNA)
where:
Base-Base interactions energy: -877.234
where: short stacking energy: -373.286
Base-Backbone interact. energy: 1.202
local terms energy: -391.428099
where:
bonds (distance) C4'-P energy: -60.939
bonds (distance) P-C4' energy: -81.657
flat angles C4'-P-C4' energy: -81.605
flat angles P-C4'-P energy: -61.371
tors. eta vs tors. theta energy: -105.857
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: 9
=====================================
Write number: 179
Temperature: 1.050000
Total energy: -1210.709762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1210.709762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1210.709762 (E_RNA)
where:
Base-Base interactions energy: -824.819
where: short stacking energy: -351.056
Base-Backbone interact. energy: -2.947
local terms energy: -382.944182
where:
bonds (distance) C4'-P energy: -62.566
bonds (distance) P-C4' energy: -81.909
flat angles C4'-P-C4' energy: -71.086
flat angles P-C4'-P energy: -69.550
tors. eta vs tors. theta energy: -97.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 179
Temperature: 1.100000
Total energy: -1115.855803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1115.855803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1115.855803 (E_RNA)
where:
Base-Base interactions energy: -751.996
where: short stacking energy: -334.695
Base-Backbone interact. energy: -3.313
local terms energy: -360.546585
where:
bonds (distance) C4'-P energy: -62.164
bonds (distance) P-C4' energy: -73.320
flat angles C4'-P-C4' energy: -79.374
flat angles P-C4'-P energy: -51.622
tors. eta vs tors. theta energy: -94.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 179
Temperature: 1.150000
Total energy: -1042.890527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1042.890527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1042.890527 (E_RNA)
where:
Base-Base interactions energy: -707.929
where: short stacking energy: -289.502
Base-Backbone interact. energy: 1.928
local terms energy: -336.890028
where:
bonds (distance) C4'-P energy: -66.624
bonds (distance) P-C4' energy: -69.378
flat angles C4'-P-C4' energy: -72.574
flat angles P-C4'-P energy: -56.400
tors. eta vs tors. theta energy: -71.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 179
Temperature: 1.200000
Total energy: -888.173009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -888.173009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -888.173009 (E_RNA)
where:
Base-Base interactions energy: -568.811
where: short stacking energy: -269.758
Base-Backbone interact. energy: -1.648
local terms energy: -317.713706
where:
bonds (distance) C4'-P energy: -74.978
bonds (distance) P-C4' energy: -74.358
flat angles C4'-P-C4' energy: -68.742
flat angles P-C4'-P energy: -39.904
tors. eta vs tors. theta energy: -59.732
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: 2
=====================================
Write number: 179
Temperature: 1.250000
Total energy: -666.145752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -666.145752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -666.145752 (E_RNA)
where:
Base-Base interactions energy: -391.956
where: short stacking energy: -195.850
Base-Backbone interact. energy: -3.148
local terms energy: -271.041744
where:
bonds (distance) C4'-P energy: -67.902
bonds (distance) P-C4' energy: -63.066
flat angles C4'-P-C4' energy: -71.125
flat angles P-C4'-P energy: -41.354
tors. eta vs tors. theta energy: -27.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 179
Temperature: 1.300000
Total energy: -602.677846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -602.677846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -602.677846 (E_RNA)
where:
Base-Base interactions energy: -358.341
where: short stacking energy: -179.086
Base-Backbone interact. energy: -0.768
local terms energy: -243.568529
where:
bonds (distance) C4'-P energy: -63.532
bonds (distance) P-C4' energy: -60.877
flat angles C4'-P-C4' energy: -72.805
flat angles P-C4'-P energy: -17.346
tors. eta vs tors. theta energy: -29.008
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: 10, replica: 4
=====================================
Write number: 179
Temperature: 1.350000
Total energy: -532.102934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.102934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.102934 (E_RNA)
where:
Base-Base interactions energy: -280.611
where: short stacking energy: -149.197
Base-Backbone interact. energy: -2.788
local terms energy: -248.704059
where:
bonds (distance) C4'-P energy: -71.587
bonds (distance) P-C4' energy: -76.273
flat angles C4'-P-C4' energy: -62.725
flat angles P-C4'-P energy: -30.319
tors. eta vs tors. theta energy: -7.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 180
Temperature: 0.900000
Total energy: -1430.211334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1430.211334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1430.211334 (E_RNA)
where:
Base-Base interactions energy: -1009.474
where: short stacking energy: -417.644
Base-Backbone interact. energy: -2.322
local terms energy: -418.415121
where:
bonds (distance) C4'-P energy: -75.142
bonds (distance) P-C4' energy: -73.738
flat angles C4'-P-C4' energy: -91.031
flat angles P-C4'-P energy: -63.176
tors. eta vs tors. theta energy: -115.328
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: 3
=====================================
Write number: 180
Temperature: 0.950000
Total energy: -1306.329633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1306.329633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1306.329633 (E_RNA)
where:
Base-Base interactions energy: -910.145
where: short stacking energy: -389.086
Base-Backbone interact. energy: -1.086
local terms energy: -395.098549
where:
bonds (distance) C4'-P energy: -69.291
bonds (distance) P-C4' energy: -75.099
flat angles C4'-P-C4' energy: -78.743
flat angles P-C4'-P energy: -52.521
tors. eta vs tors. theta energy: -119.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 180
Temperature: 1.000000
Total energy: -1273.278006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1273.278006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1273.278006 (E_RNA)
where:
Base-Base interactions energy: -881.655
where: short stacking energy: -368.991
Base-Backbone interact. energy: -1.259
local terms energy: -390.363805
where:
bonds (distance) C4'-P energy: -76.836
bonds (distance) P-C4' energy: -71.968
flat angles C4'-P-C4' energy: -83.511
flat angles P-C4'-P energy: -50.047
tors. eta vs tors. theta energy: -108.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 180
Temperature: 1.050000
Total energy: -1185.950426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1185.950426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1185.950426 (E_RNA)
where:
Base-Base interactions energy: -809.921
where: short stacking energy: -334.184
Base-Backbone interact. energy: -0.603
local terms energy: -375.426736
where:
bonds (distance) C4'-P energy: -74.399
bonds (distance) P-C4' energy: -74.367
flat angles C4'-P-C4' energy: -76.977
flat angles P-C4'-P energy: -55.266
tors. eta vs tors. theta energy: -94.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 180
Temperature: 1.100000
Total energy: -1103.057894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1103.057894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1103.057894 (E_RNA)
where:
Base-Base interactions energy: -737.345
where: short stacking energy: -328.907
Base-Backbone interact. energy: -0.665
local terms energy: -365.048150
where:
bonds (distance) C4'-P energy: -58.323
bonds (distance) P-C4' energy: -76.543
flat angles C4'-P-C4' energy: -91.146
flat angles P-C4'-P energy: -45.529
tors. eta vs tors. theta energy: -93.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 180
Temperature: 1.150000
Total energy: -1038.461437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1038.461437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1038.461437 (E_RNA)
where:
Base-Base interactions energy: -697.622
where: short stacking energy: -311.869
Base-Backbone interact. energy: -3.989
local terms energy: -336.849736
where:
bonds (distance) C4'-P energy: -58.071
bonds (distance) P-C4' energy: -74.563
flat angles C4'-P-C4' energy: -77.827
flat angles P-C4'-P energy: -52.194
tors. eta vs tors. theta energy: -74.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 180
Temperature: 1.200000
Total energy: -858.176451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -858.176451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -858.176451 (E_RNA)
where:
Base-Base interactions energy: -540.585
where: short stacking energy: -269.621
Base-Backbone interact. energy: -1.110
local terms energy: -316.481177
where:
bonds (distance) C4'-P energy: -63.580
bonds (distance) P-C4' energy: -47.704
flat angles C4'-P-C4' energy: -78.897
flat angles P-C4'-P energy: -54.328
tors. eta vs tors. theta energy: -71.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 180
Temperature: 1.250000
Total energy: -657.978115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -657.978115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -657.978115 (E_RNA)
where:
Base-Base interactions energy: -383.168
where: short stacking energy: -208.458
Base-Backbone interact. energy: 3.944
local terms energy: -278.754706
where:
bonds (distance) C4'-P energy: -46.287
bonds (distance) P-C4' energy: -76.187
flat angles C4'-P-C4' energy: -78.551
flat angles P-C4'-P energy: -41.804
tors. eta vs tors. theta energy: -35.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 180
Temperature: 1.300000
Total energy: -588.719198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -588.719198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -588.719198 (E_RNA)
where:
Base-Base interactions energy: -342.871
where: short stacking energy: -179.438
Base-Backbone interact. energy: -0.213
local terms energy: -245.635238
where:
bonds (distance) C4'-P energy: -58.034
bonds (distance) P-C4' energy: -73.145
flat angles C4'-P-C4' energy: -72.441
flat angles P-C4'-P energy: -34.159
tors. eta vs tors. theta energy: -7.855
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: 6
=====================================
Write number: 180
Temperature: 1.350000
Total energy: -534.184579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.184579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.184579 (E_RNA)
where:
Base-Base interactions energy: -308.720
where: short stacking energy: -149.219
Base-Backbone interact. energy: 0.398
local terms energy: -225.861891
where:
bonds (distance) C4'-P energy: -46.601
bonds (distance) P-C4' energy: -71.723
flat angles C4'-P-C4' energy: -55.888
flat angles P-C4'-P energy: -42.232
tors. eta vs tors. theta energy: -9.418
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: 181
Temperature: 0.900000
Total energy: -1419.496571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1419.496571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1419.496571 (E_RNA)
where:
Base-Base interactions energy: -992.390
where: short stacking energy: -399.656
Base-Backbone interact. energy: -2.772
local terms energy: -424.334469
where:
bonds (distance) C4'-P energy: -76.207
bonds (distance) P-C4' energy: -89.260
flat angles C4'-P-C4' energy: -85.375
flat angles P-C4'-P energy: -62.520
tors. eta vs tors. theta energy: -110.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 181
Temperature: 0.950000
Total energy: -1311.066421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1311.066421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1311.066421 (E_RNA)
where:
Base-Base interactions energy: -924.776
where: short stacking energy: -410.506
Base-Backbone interact. energy: 0.681
local terms energy: -386.971250
where:
bonds (distance) C4'-P energy: -64.638
bonds (distance) P-C4' energy: -68.736
flat angles C4'-P-C4' energy: -77.780
flat angles P-C4'-P energy: -53.395
tors. eta vs tors. theta energy: -122.422
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: 181
Temperature: 1.000000
Total energy: -1281.980776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1281.980776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1281.980776 (E_RNA)
where:
Base-Base interactions energy: -887.548
where: short stacking energy: -369.851
Base-Backbone interact. energy: -1.543
local terms energy: -392.889524
where:
bonds (distance) C4'-P energy: -66.115
bonds (distance) P-C4' energy: -81.230
flat angles C4'-P-C4' energy: -77.924
flat angles P-C4'-P energy: -58.474
tors. eta vs tors. theta energy: -109.146
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: 8
=====================================
Write number: 181
Temperature: 1.050000
Total energy: -1182.907493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1182.907493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1182.907493 (E_RNA)
where:
Base-Base interactions energy: -809.745
where: short stacking energy: -363.933
Base-Backbone interact. energy: 0.792
local terms energy: -373.955023
where:
bonds (distance) C4'-P energy: -66.529
bonds (distance) P-C4' energy: -78.288
flat angles C4'-P-C4' energy: -73.224
flat angles P-C4'-P energy: -55.267
tors. eta vs tors. theta energy: -100.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 181
Temperature: 1.100000
Total energy: -1218.692367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1218.692367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1218.692367 (E_RNA)
where:
Base-Base interactions energy: -830.655
where: short stacking energy: -356.773
Base-Backbone interact. energy: -1.106
local terms energy: -386.931273
where:
bonds (distance) C4'-P energy: -80.379
bonds (distance) P-C4' energy: -61.894
flat angles C4'-P-C4' energy: -79.948
flat angles P-C4'-P energy: -56.233
tors. eta vs tors. theta energy: -108.477
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: 10
=====================================
Write number: 181
Temperature: 1.150000
Total energy: -1060.207949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1060.207949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1060.207949 (E_RNA)
where:
Base-Base interactions energy: -720.705
where: short stacking energy: -310.835
Base-Backbone interact. energy: -1.603
local terms energy: -337.900159
where:
bonds (distance) C4'-P energy: -62.788
bonds (distance) P-C4' energy: -79.344
flat angles C4'-P-C4' energy: -80.926
flat angles P-C4'-P energy: -47.950
tors. eta vs tors. theta energy: -66.892
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: 181
Temperature: 1.200000
Total energy: -879.092198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -879.092198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -879.092198 (E_RNA)
where:
Base-Base interactions energy: -591.424
where: short stacking energy: -266.150
Base-Backbone interact. energy: 1.779
local terms energy: -289.447781
where:
bonds (distance) C4'-P energy: -47.855
bonds (distance) P-C4' energy: -48.726
flat angles C4'-P-C4' energy: -66.813
flat angles P-C4'-P energy: -62.612
tors. eta vs tors. theta energy: -63.441
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: 2
=====================================
Write number: 181
Temperature: 1.250000
Total energy: -594.435621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -594.435621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -594.435621 (E_RNA)
where:
Base-Base interactions energy: -359.564
where: short stacking energy: -163.054
Base-Backbone interact. energy: 2.262
local terms energy: -237.133523
where:
bonds (distance) C4'-P energy: -54.893
bonds (distance) P-C4' energy: -65.197
flat angles C4'-P-C4' energy: -65.578
flat angles P-C4'-P energy: -36.152
tors. eta vs tors. theta energy: -15.314
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: 181
Temperature: 1.300000
Total energy: -618.182930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -618.182930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -618.182930 (E_RNA)
where:
Base-Base interactions energy: -341.009
where: short stacking energy: -178.627
Base-Backbone interact. energy: 4.021
local terms energy: -281.194169
where:
bonds (distance) C4'-P energy: -64.732
bonds (distance) P-C4' energy: -76.280
flat angles C4'-P-C4' energy: -73.363
flat angles P-C4'-P energy: -45.000
tors. eta vs tors. theta energy: -21.820
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: 6
=====================================
Write number: 181
Temperature: 1.350000
Total energy: -531.845633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.845633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.845633 (E_RNA)
where:
Base-Base interactions energy: -312.087
where: short stacking energy: -148.552
Base-Backbone interact. energy: -1.245
local terms energy: -218.514057
where:
bonds (distance) C4'-P energy: -54.723
bonds (distance) P-C4' energy: -69.204
flat angles C4'-P-C4' energy: -53.621
flat angles P-C4'-P energy: -29.735
tors. eta vs tors. theta energy: -11.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 182
Temperature: 0.900000
Total energy: -1425.344809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1425.344809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1425.344809 (E_RNA)
where:
Base-Base interactions energy: -999.523
where: short stacking energy: -412.896
Base-Backbone interact. energy: -2.494
local terms energy: -423.327900
where:
bonds (distance) C4'-P energy: -77.900
bonds (distance) P-C4' energy: -83.047
flat angles C4'-P-C4' energy: -90.069
flat angles P-C4'-P energy: -55.147
tors. eta vs tors. theta energy: -117.165
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: 2, replica: 3
=====================================
Write number: 182
Temperature: 0.950000
Total energy: -1342.337979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1342.337979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1342.337979 (E_RNA)
where:
Base-Base interactions energy: -926.493
where: short stacking energy: -393.491
Base-Backbone interact. energy: -1.529
local terms energy: -414.316015
where:
bonds (distance) C4'-P energy: -82.234
bonds (distance) P-C4' energy: -73.314
flat angles C4'-P-C4' energy: -88.635
flat angles P-C4'-P energy: -59.450
tors. eta vs tors. theta energy: -110.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 182
Temperature: 1.000000
Total energy: -1250.784711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1250.784711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1250.784711 (E_RNA)
where:
Base-Base interactions energy: -876.739
where: short stacking energy: -355.009
Base-Backbone interact. energy: -3.077
local terms energy: -370.967851
where:
bonds (distance) C4'-P energy: -71.391
bonds (distance) P-C4' energy: -70.880
flat angles C4'-P-C4' energy: -73.488
flat angles P-C4'-P energy: -52.208
tors. eta vs tors. theta energy: -103.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 182
Temperature: 1.050000
Total energy: -1213.983518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1213.983518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1213.983518 (E_RNA)
where:
Base-Base interactions energy: -826.176
where: short stacking energy: -352.522
Base-Backbone interact. energy: -2.178
local terms energy: -385.629521
where:
bonds (distance) C4'-P energy: -74.754
bonds (distance) P-C4' energy: -76.505
flat angles C4'-P-C4' energy: -79.286
flat angles P-C4'-P energy: -51.325
tors. eta vs tors. theta energy: -103.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 182
Temperature: 1.100000
Total energy: -1164.728677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1164.728677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1164.728677 (E_RNA)
where:
Base-Base interactions energy: -791.656
where: short stacking energy: -338.131
Base-Backbone interact. energy: 2.554
local terms energy: -375.626634
where:
bonds (distance) C4'-P energy: -64.966
bonds (distance) P-C4' energy: -73.685
flat angles C4'-P-C4' energy: -85.504
flat angles P-C4'-P energy: -51.251
tors. eta vs tors. theta energy: -100.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 182
Temperature: 1.150000
Total energy: -1037.871630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1037.871630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1037.871630 (E_RNA)
where:
Base-Base interactions energy: -699.466
where: short stacking energy: -288.626
Base-Backbone interact. energy: -0.791
local terms energy: -337.614206
where:
bonds (distance) C4'-P energy: -64.507
bonds (distance) P-C4' energy: -78.742
flat angles C4'-P-C4' energy: -75.663
flat angles P-C4'-P energy: -50.579
tors. eta vs tors. theta energy: -68.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 182
Temperature: 1.200000
Total energy: -916.573318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -916.573318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -916.573318 (E_RNA)
where:
Base-Base interactions energy: -612.257
where: short stacking energy: -287.012
Base-Backbone interact. energy: 6.115
local terms energy: -310.431591
where:
bonds (distance) C4'-P energy: -54.296
bonds (distance) P-C4' energy: -65.293
flat angles C4'-P-C4' energy: -75.746
flat angles P-C4'-P energy: -42.504
tors. eta vs tors. theta energy: -72.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 182
Temperature: 1.250000
Total energy: -644.897694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -644.897694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -644.897694 (E_RNA)
where:
Base-Base interactions energy: -373.700
where: short stacking energy: -185.556
Base-Backbone interact. energy: 0.035
local terms energy: -271.232498
where:
bonds (distance) C4'-P energy: -62.066
bonds (distance) P-C4' energy: -85.215
flat angles C4'-P-C4' energy: -64.024
flat angles P-C4'-P energy: -35.849
tors. eta vs tors. theta energy: -24.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 182
Temperature: 1.300000
Total energy: -621.760925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -621.760925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -621.760925 (E_RNA)
where:
Base-Base interactions energy: -360.339
where: short stacking energy: -191.163
Base-Backbone interact. energy: -2.643
local terms energy: -258.779106
where:
bonds (distance) C4'-P energy: -69.218
bonds (distance) P-C4' energy: -44.836
flat angles C4'-P-C4' energy: -78.421
flat angles P-C4'-P energy: -45.538
tors. eta vs tors. theta energy: -20.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 182
Temperature: 1.350000
Total energy: -528.560130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.560130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.560130 (E_RNA)
where:
Base-Base interactions energy: -308.114
where: short stacking energy: -136.413
Base-Backbone interact. energy: -2.101
local terms energy: -218.344318
where:
bonds (distance) C4'-P energy: -64.938
bonds (distance) P-C4' energy: -55.394
flat angles C4'-P-C4' energy: -53.699
flat angles P-C4'-P energy: -39.730
tors. eta vs tors. theta energy: -4.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 183
Temperature: 0.900000
Total energy: -1427.649064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1427.649064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1427.649064 (E_RNA)
where:
Base-Base interactions energy: -996.818
where: short stacking energy: -396.818
Base-Backbone interact. energy: -1.544
local terms energy: -429.287297
where:
bonds (distance) C4'-P energy: -81.818
bonds (distance) P-C4' energy: -79.565
flat angles C4'-P-C4' energy: -93.172
flat angles P-C4'-P energy: -57.924
tors. eta vs tors. theta energy: -116.808
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: 3
=====================================
Write number: 183
Temperature: 0.950000
Total energy: -1309.011220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1309.011220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1309.011220 (E_RNA)
where:
Base-Base interactions energy: -905.928
where: short stacking energy: -410.472
Base-Backbone interact. energy: -2.889
local terms energy: -400.194249
where:
bonds (distance) C4'-P energy: -69.377
bonds (distance) P-C4' energy: -74.483
flat angles C4'-P-C4' energy: -86.016
flat angles P-C4'-P energy: -53.952
tors. eta vs tors. theta energy: -116.367
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: 5
=====================================
Write number: 183
Temperature: 1.000000
Total energy: -1256.657246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1256.657246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1256.657246 (E_RNA)
where:
Base-Base interactions energy: -865.068
where: short stacking energy: -363.802
Base-Backbone interact. energy: -0.875
local terms energy: -390.713817
where:
bonds (distance) C4'-P energy: -73.148
bonds (distance) P-C4' energy: -72.064
flat angles C4'-P-C4' energy: -90.455
flat angles P-C4'-P energy: -47.165
tors. eta vs tors. theta energy: -107.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 183
Temperature: 1.050000
Total energy: -1193.046921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1193.046921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1193.046921 (E_RNA)
where:
Base-Base interactions energy: -820.332
where: short stacking energy: -346.793
Base-Backbone interact. energy: -0.343
local terms energy: -372.472066
where:
bonds (distance) C4'-P energy: -68.728
bonds (distance) P-C4' energy: -65.513
flat angles C4'-P-C4' energy: -89.518
flat angles P-C4'-P energy: -52.361
tors. eta vs tors. theta energy: -96.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.099 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 183
Temperature: 1.100000
Total energy: -1156.240419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1156.240419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1156.240419 (E_RNA)
where:
Base-Base interactions energy: -784.750
where: short stacking energy: -324.916
Base-Backbone interact. energy: -0.910
local terms energy: -370.580329
where:
bonds (distance) C4'-P energy: -68.639
bonds (distance) P-C4' energy: -80.386
flat angles C4'-P-C4' energy: -81.711
flat angles P-C4'-P energy: -43.149
tors. eta vs tors. theta energy: -96.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 183
Temperature: 1.150000
Total energy: -1069.184544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1069.184544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1069.184544 (E_RNA)
where:
Base-Base interactions energy: -727.089
where: short stacking energy: -316.496
Base-Backbone interact. energy: -2.542
local terms energy: -339.553234
where:
bonds (distance) C4'-P energy: -76.773
bonds (distance) P-C4' energy: -72.659
flat angles C4'-P-C4' energy: -73.182
flat angles P-C4'-P energy: -44.820
tors. eta vs tors. theta energy: -72.120
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: 183
Temperature: 1.200000
Total energy: -932.721830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -932.721830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -932.721830 (E_RNA)
where:
Base-Base interactions energy: -598.242
where: short stacking energy: -283.413
Base-Backbone interact. energy: -2.488
local terms energy: -331.991974
where:
bonds (distance) C4'-P energy: -63.969
bonds (distance) P-C4' energy: -72.046
flat angles C4'-P-C4' energy: -82.670
flat angles P-C4'-P energy: -38.058
tors. eta vs tors. theta energy: -75.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 183
Temperature: 1.250000
Total energy: -625.211736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -625.211736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -625.211736 (E_RNA)
where:
Base-Base interactions energy: -371.321
where: short stacking energy: -202.925
Base-Backbone interact. energy: -0.084
local terms energy: -253.806813
where:
bonds (distance) C4'-P energy: -78.190
bonds (distance) P-C4' energy: -50.678
flat angles C4'-P-C4' energy: -63.816
flat angles P-C4'-P energy: -39.627
tors. eta vs tors. theta energy: -21.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 183
Temperature: 1.300000
Total energy: -631.901747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -631.901747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -631.901747 (E_RNA)
where:
Base-Base interactions energy: -390.999
where: short stacking energy: -197.014
Base-Backbone interact. energy: -0.227
local terms energy: -240.675700
where:
bonds (distance) C4'-P energy: -44.380
bonds (distance) P-C4' energy: -67.422
flat angles C4'-P-C4' energy: -61.793
flat angles P-C4'-P energy: -39.928
tors. eta vs tors. theta energy: -27.152
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: 6
=====================================
Write number: 183
Temperature: 1.350000
Total energy: -548.220131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.220131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.220131 (E_RNA)
where:
Base-Base interactions energy: -333.467
where: short stacking energy: -171.272
Base-Backbone interact. energy: 4.633
local terms energy: -219.385859
where:
bonds (distance) C4'-P energy: -58.706
bonds (distance) P-C4' energy: -54.572
flat angles C4'-P-C4' energy: -59.003
flat angles P-C4'-P energy: -25.282
tors. eta vs tors. theta energy: -21.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 184
Temperature: 0.900000
Total energy: -1410.195751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1410.195751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1410.195751 (E_RNA)
where:
Base-Base interactions energy: -1000.206
where: short stacking energy: -398.299
Base-Backbone interact. energy: 1.232
local terms energy: -411.222104
where:
bonds (distance) C4'-P energy: -71.276
bonds (distance) P-C4' energy: -80.886
flat angles C4'-P-C4' energy: -84.390
flat angles P-C4'-P energy: -62.415
tors. eta vs tors. theta energy: -112.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 184
Temperature: 0.950000
Total energy: -1312.771651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1312.771651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1312.771651 (E_RNA)
where:
Base-Base interactions energy: -900.023
where: short stacking energy: -397.539
Base-Backbone interact. energy: -0.828
local terms energy: -411.920132
where:
bonds (distance) C4'-P energy: -71.729
bonds (distance) P-C4' energy: -84.129
flat angles C4'-P-C4' energy: -84.058
flat angles P-C4'-P energy: -55.510
tors. eta vs tors. theta energy: -116.494
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: 5
=====================================
Write number: 184
Temperature: 1.000000
Total energy: -1268.247331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1268.247331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1268.247331 (E_RNA)
where:
Base-Base interactions energy: -875.789
where: short stacking energy: -355.823
Base-Backbone interact. energy: 0.431
local terms energy: -392.889861
where:
bonds (distance) C4'-P energy: -74.160
bonds (distance) P-C4' energy: -76.932
flat angles C4'-P-C4' energy: -82.890
flat angles P-C4'-P energy: -54.547
tors. eta vs tors. theta energy: -104.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 184
Temperature: 1.050000
Total energy: -1199.083589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1199.083589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1199.083589 (E_RNA)
where:
Base-Base interactions energy: -833.870
where: short stacking energy: -347.416
Base-Backbone interact. energy: -2.069
local terms energy: -363.144158
where:
bonds (distance) C4'-P energy: -68.083
bonds (distance) P-C4' energy: -69.219
flat angles C4'-P-C4' energy: -71.052
flat angles P-C4'-P energy: -53.066
tors. eta vs tors. theta energy: -101.724
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: 8
=====================================
Write number: 184
Temperature: 1.100000
Total energy: -1137.272496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1137.272496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1137.272496 (E_RNA)
where:
Base-Base interactions energy: -761.919
where: short stacking energy: -341.592
Base-Backbone interact. energy: 0.226
local terms energy: -375.580332
where:
bonds (distance) C4'-P energy: -64.745
bonds (distance) P-C4' energy: -75.712
flat angles C4'-P-C4' energy: -80.806
flat angles P-C4'-P energy: -56.126
tors. eta vs tors. theta energy: -98.191
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: 10
=====================================
Write number: 184
Temperature: 1.150000
Total energy: -1019.363713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1019.363713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1019.363713 (E_RNA)
where:
Base-Base interactions energy: -693.923
where: short stacking energy: -302.530
Base-Backbone interact. energy: -0.044
local terms energy: -325.397334
where:
bonds (distance) C4'-P energy: -67.719
bonds (distance) P-C4' energy: -69.354
flat angles C4'-P-C4' energy: -75.151
flat angles P-C4'-P energy: -44.869
tors. eta vs tors. theta energy: -68.305
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: 184
Temperature: 1.200000
Total energy: -924.956646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -924.956646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -924.956646 (E_RNA)
where:
Base-Base interactions energy: -586.839
where: short stacking energy: -285.483
Base-Backbone interact. energy: -3.280
local terms energy: -334.837880
where:
bonds (distance) C4'-P energy: -62.710
bonds (distance) P-C4' energy: -81.506
flat angles C4'-P-C4' energy: -72.411
flat angles P-C4'-P energy: -41.406
tors. eta vs tors. theta energy: -76.805
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: 8, replica: 4
=====================================
Write number: 184
Temperature: 1.250000
Total energy: -696.120031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -696.120031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -696.120031 (E_RNA)
where:
Base-Base interactions energy: -453.590
where: short stacking energy: -204.175
Base-Backbone interact. energy: 3.216
local terms energy: -245.746001
where:
bonds (distance) C4'-P energy: -65.190
bonds (distance) P-C4' energy: -58.731
flat angles C4'-P-C4' energy: -78.698
flat angles P-C4'-P energy: -20.309
tors. eta vs tors. theta energy: -22.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 184
Temperature: 1.300000
Total energy: -565.764959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -565.764959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -565.764959 (E_RNA)
where:
Base-Base interactions energy: -315.353
where: short stacking energy: -153.158
Base-Backbone interact. energy: 0.972
local terms energy: -251.383621
where:
bonds (distance) C4'-P energy: -68.242
bonds (distance) P-C4' energy: -60.029
flat angles C4'-P-C4' energy: -67.044
flat angles P-C4'-P energy: -41.019
tors. eta vs tors. theta energy: -15.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 184
Temperature: 1.350000
Total energy: -600.765841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -600.765841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -600.765841 (E_RNA)
where:
Base-Base interactions energy: -350.753
where: short stacking energy: -168.014
Base-Backbone interact. energy: -1.504
local terms energy: -248.509480
where:
bonds (distance) C4'-P energy: -37.106
bonds (distance) P-C4' energy: -70.805
flat angles C4'-P-C4' energy: -74.356
flat angles P-C4'-P energy: -44.953
tors. eta vs tors. theta energy: -21.289
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: 7
=====================================
Write number: 185
Temperature: 0.900000
Total energy: -1397.367573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1397.367573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1397.367573 (E_RNA)
where:
Base-Base interactions energy: -980.807
where: short stacking energy: -414.032
Base-Backbone interact. energy: -4.775
local terms energy: -411.785598
where:
bonds (distance) C4'-P energy: -55.356
bonds (distance) P-C4' energy: -88.270
flat angles C4'-P-C4' energy: -84.202
flat angles P-C4'-P energy: -62.106
tors. eta vs tors. theta energy: -121.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 185
Temperature: 0.950000
Total energy: -1325.697919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1325.697919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1325.697919 (E_RNA)
where:
Base-Base interactions energy: -916.678
where: short stacking energy: -403.488
Base-Backbone interact. energy: -2.012
local terms energy: -407.008183
where:
bonds (distance) C4'-P energy: -58.179
bonds (distance) P-C4' energy: -79.866
flat angles C4'-P-C4' energy: -88.775
flat angles P-C4'-P energy: -57.722
tors. eta vs tors. theta energy: -122.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 185
Temperature: 1.000000
Total energy: -1264.794794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1264.794794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1264.794794 (E_RNA)
where:
Base-Base interactions energy: -879.440
where: short stacking energy: -363.240
Base-Backbone interact. energy: -1.206
local terms energy: -384.149224
where:
bonds (distance) C4'-P energy: -71.999
bonds (distance) P-C4' energy: -65.786
flat angles C4'-P-C4' energy: -85.808
flat angles P-C4'-P energy: -55.439
tors. eta vs tors. theta energy: -105.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 185
Temperature: 1.050000
Total energy: -1215.513603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1215.513603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1215.513603 (E_RNA)
where:
Base-Base interactions energy: -840.098
where: short stacking energy: -359.198
Base-Backbone interact. energy: -1.146
local terms energy: -374.269088
where:
bonds (distance) C4'-P energy: -60.052
bonds (distance) P-C4' energy: -75.544
flat angles C4'-P-C4' energy: -85.451
flat angles P-C4'-P energy: -51.746
tors. eta vs tors. theta energy: -101.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 185
Temperature: 1.100000
Total energy: -1150.935927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1150.935927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1150.935927 (E_RNA)
where:
Base-Base interactions energy: -784.448
where: short stacking energy: -341.501
Base-Backbone interact. energy: -0.611
local terms energy: -366.240646
where:
bonds (distance) C4'-P energy: -67.205
bonds (distance) P-C4' energy: -77.822
flat angles C4'-P-C4' energy: -80.577
flat angles P-C4'-P energy: -50.624
tors. eta vs tors. theta energy: -90.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.364 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 185
Temperature: 1.150000
Total energy: -999.729957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -999.729957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -999.729957 (E_RNA)
where:
Base-Base interactions energy: -686.965
where: short stacking energy: -286.067
Base-Backbone interact. energy: 0.042
local terms energy: -312.807031
where:
bonds (distance) C4'-P energy: -62.924
bonds (distance) P-C4' energy: -74.629
flat angles C4'-P-C4' energy: -62.929
flat angles P-C4'-P energy: -45.370
tors. eta vs tors. theta energy: -66.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 185
Temperature: 1.200000
Total energy: -937.193860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -937.193860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -937.193860 (E_RNA)
where:
Base-Base interactions energy: -614.633
where: short stacking energy: -289.671
Base-Backbone interact. energy: 0.855
local terms energy: -323.415537
where:
bonds (distance) C4'-P energy: -64.442
bonds (distance) P-C4' energy: -68.495
flat angles C4'-P-C4' energy: -70.088
flat angles P-C4'-P energy: -47.669
tors. eta vs tors. theta energy: -72.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 185
Temperature: 1.250000
Total energy: -718.257161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -718.257161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -718.257161 (E_RNA)
where:
Base-Base interactions energy: -456.741
where: short stacking energy: -218.759
Base-Backbone interact. energy: 3.297
local terms energy: -264.812984
where:
bonds (distance) C4'-P energy: -55.523
bonds (distance) P-C4' energy: -73.394
flat angles C4'-P-C4' energy: -61.422
flat angles P-C4'-P energy: -34.715
tors. eta vs tors. theta energy: -39.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 185
Temperature: 1.300000
Total energy: -598.314349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -598.314349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -598.314349 (E_RNA)
where:
Base-Base interactions energy: -349.730
where: short stacking energy: -170.770
Base-Backbone interact. energy: 0.250
local terms energy: -248.834715
where:
bonds (distance) C4'-P energy: -63.442
bonds (distance) P-C4' energy: -75.896
flat angles C4'-P-C4' energy: -58.504
flat angles P-C4'-P energy: -39.683
tors. eta vs tors. theta energy: -11.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 185
Temperature: 1.350000
Total energy: -587.670320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -587.670320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -587.670320 (E_RNA)
where:
Base-Base interactions energy: -358.715
where: short stacking energy: -162.908
Base-Backbone interact. energy: 3.209
local terms energy: -232.164930
where:
bonds (distance) C4'-P energy: -63.103
bonds (distance) P-C4' energy: -67.298
flat angles C4'-P-C4' energy: -50.133
flat angles P-C4'-P energy: -27.429
tors. eta vs tors. theta energy: -24.203
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: 7
=====================================
Write number: 186
Temperature: 0.900000
Total energy: -1412.004525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1412.004525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1412.004525 (E_RNA)
where:
Base-Base interactions energy: -981.078
where: short stacking energy: -432.456
Base-Backbone interact. energy: -1.504
local terms energy: -429.421770
where:
bonds (distance) C4'-P energy: -68.625
bonds (distance) P-C4' energy: -78.390
flat angles C4'-P-C4' energy: -91.392
flat angles P-C4'-P energy: -71.431
tors. eta vs tors. theta energy: -119.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 186
Temperature: 0.950000
Total energy: -1322.329640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1322.329640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1322.329640 (E_RNA)
where:
Base-Base interactions energy: -916.625
where: short stacking energy: -387.099
Base-Backbone interact. energy: -2.016
local terms energy: -403.689078
where:
bonds (distance) C4'-P energy: -75.853
bonds (distance) P-C4' energy: -82.168
flat angles C4'-P-C4' energy: -84.190
flat angles P-C4'-P energy: -49.686
tors. eta vs tors. theta energy: -111.792
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: 3, replica: 9
=====================================
Write number: 186
Temperature: 1.000000
Total energy: -1224.217675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1224.217675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1224.217675 (E_RNA)
where:
Base-Base interactions energy: -839.230
where: short stacking energy: -359.039
Base-Backbone interact. energy: -2.400
local terms energy: -382.587944
where:
bonds (distance) C4'-P energy: -64.862
bonds (distance) P-C4' energy: -75.840
flat angles C4'-P-C4' energy: -76.303
flat angles P-C4'-P energy: -60.997
tors. eta vs tors. theta energy: -104.586
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: 186
Temperature: 1.050000
Total energy: -1233.189494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1233.189494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1233.189494 (E_RNA)
where:
Base-Base interactions energy: -853.994
where: short stacking energy: -383.594
Base-Backbone interact. energy: -1.057
local terms energy: -378.138243
where:
bonds (distance) C4'-P energy: -62.521
bonds (distance) P-C4' energy: -68.272
flat angles C4'-P-C4' energy: -81.776
flat angles P-C4'-P energy: -51.395
tors. eta vs tors. theta energy: -114.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 186
Temperature: 1.100000
Total energy: -1074.077598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1074.077598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1074.077598 (E_RNA)
where:
Base-Base interactions energy: -724.903
where: short stacking energy: -325.862
Base-Backbone interact. energy: 0.075
local terms energy: -349.250300
where:
bonds (distance) C4'-P energy: -72.255
bonds (distance) P-C4' energy: -66.548
flat angles C4'-P-C4' energy: -70.939
flat angles P-C4'-P energy: -43.262
tors. eta vs tors. theta energy: -96.246
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: 10
=====================================
Write number: 186
Temperature: 1.150000
Total energy: -995.867140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -995.867140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -995.867140 (E_RNA)
where:
Base-Base interactions energy: -660.159
where: short stacking energy: -276.552
Base-Backbone interact. energy: -1.407
local terms energy: -334.301783
where:
bonds (distance) C4'-P energy: -79.868
bonds (distance) P-C4' energy: -68.406
flat angles C4'-P-C4' energy: -77.795
flat angles P-C4'-P energy: -38.638
tors. eta vs tors. theta energy: -69.595
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: 186
Temperature: 1.200000
Total energy: -926.816672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -926.816672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -926.816672 (E_RNA)
where:
Base-Base interactions energy: -579.168
where: short stacking energy: -286.509
Base-Backbone interact. energy: 2.861
local terms energy: -350.509664
where:
bonds (distance) C4'-P energy: -69.370
bonds (distance) P-C4' energy: -74.494
flat angles C4'-P-C4' energy: -79.203
flat angles P-C4'-P energy: -49.618
tors. eta vs tors. theta energy: -77.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 186
Temperature: 1.250000
Total energy: -683.572489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -683.572489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -683.572489 (E_RNA)
where:
Base-Base interactions energy: -423.304
where: short stacking energy: -187.297
Base-Backbone interact. energy: 2.123
local terms energy: -262.391423
where:
bonds (distance) C4'-P energy: -62.912
bonds (distance) P-C4' energy: -72.289
flat angles C4'-P-C4' energy: -68.616
flat angles P-C4'-P energy: -28.110
tors. eta vs tors. theta energy: -30.464
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: 2
=====================================
Write number: 186
Temperature: 1.300000
Total energy: -572.674566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -572.674566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -572.674566 (E_RNA)
where:
Base-Base interactions energy: -335.264
where: short stacking energy: -156.541
Base-Backbone interact. energy: -1.540
local terms energy: -235.870112
where:
bonds (distance) C4'-P energy: -63.217
bonds (distance) P-C4' energy: -62.602
flat angles C4'-P-C4' energy: -58.097
flat angles P-C4'-P energy: -36.215
tors. eta vs tors. theta energy: -15.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 186
Temperature: 1.350000
Total energy: -543.504147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.504147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.504147 (E_RNA)
where:
Base-Base interactions energy: -312.925
where: short stacking energy: -158.175
Base-Backbone interact. energy: -2.853
local terms energy: -227.726427
where:
bonds (distance) C4'-P energy: -59.165
bonds (distance) P-C4' energy: -59.540
flat angles C4'-P-C4' energy: -57.129
flat angles P-C4'-P energy: -39.997
tors. eta vs tors. theta energy: -11.895
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: 1, replica: 7
=====================================
Write number: 187
Temperature: 0.900000
Total energy: -1401.795064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1401.795064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1401.795064 (E_RNA)
where:
Base-Base interactions energy: -979.024
where: short stacking energy: -416.759
Base-Backbone interact. energy: -2.428
local terms energy: -420.342496
where:
bonds (distance) C4'-P energy: -66.508
bonds (distance) P-C4' energy: -90.800
flat angles C4'-P-C4' energy: -88.642
flat angles P-C4'-P energy: -60.096
tors. eta vs tors. theta energy: -114.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 187
Temperature: 0.950000
Total energy: -1301.701880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1301.701880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1301.701880 (E_RNA)
where:
Base-Base interactions energy: -895.232
where: short stacking energy: -389.567
Base-Backbone interact. energy: -1.204
local terms energy: -405.265215
where:
bonds (distance) C4'-P energy: -76.981
bonds (distance) P-C4' energy: -84.049
flat angles C4'-P-C4' energy: -76.282
flat angles P-C4'-P energy: -53.397
tors. eta vs tors. theta energy: -114.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 187
Temperature: 1.000000
Total energy: -1260.590400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1260.590400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1260.590400 (E_RNA)
where:
Base-Base interactions energy: -871.656
where: short stacking energy: -382.776
Base-Backbone interact. energy: -0.191
local terms energy: -388.743382
where:
bonds (distance) C4'-P energy: -72.095
bonds (distance) P-C4' energy: -73.152
flat angles C4'-P-C4' energy: -82.323
flat angles P-C4'-P energy: -52.924
tors. eta vs tors. theta energy: -108.248
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: 5
=====================================
Write number: 187
Temperature: 1.050000
Total energy: -1240.669535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1240.669535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1240.669535 (E_RNA)
where:
Base-Base interactions energy: -853.451
where: short stacking energy: -359.860
Base-Backbone interact. energy: -2.348
local terms energy: -384.870413
where:
bonds (distance) C4'-P energy: -71.418
bonds (distance) P-C4' energy: -72.204
flat angles C4'-P-C4' energy: -84.537
flat angles P-C4'-P energy: -48.639
tors. eta vs tors. theta energy: -108.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 187
Temperature: 1.100000
Total energy: -1059.322127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1059.322127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1059.322127 (E_RNA)
where:
Base-Base interactions energy: -717.906
where: short stacking energy: -336.309
Base-Backbone interact. energy: -0.133
local terms energy: -341.282794
where:
bonds (distance) C4'-P energy: -54.668
bonds (distance) P-C4' energy: -80.193
flat angles C4'-P-C4' energy: -72.810
flat angles P-C4'-P energy: -50.710
tors. eta vs tors. theta energy: -82.902
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: 6, replica: 10
=====================================
Write number: 187
Temperature: 1.150000
Total energy: -995.026151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -995.026151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -995.026151 (E_RNA)
where:
Base-Base interactions energy: -652.047
where: short stacking energy: -283.445
Base-Backbone interact. energy: -1.406
local terms energy: -342.126735
where:
bonds (distance) C4'-P energy: -55.485
bonds (distance) P-C4' energy: -73.792
flat angles C4'-P-C4' energy: -80.394
flat angles P-C4'-P energy: -60.367
tors. eta vs tors. theta energy: -72.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.554 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 187
Temperature: 1.200000
Total energy: -906.424810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -906.424810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -906.424810 (E_RNA)
where:
Base-Base interactions energy: -601.333
where: short stacking energy: -264.063
Base-Backbone interact. energy: -1.416
local terms energy: -303.676003
where:
bonds (distance) C4'-P energy: -61.050
bonds (distance) P-C4' energy: -53.206
flat angles C4'-P-C4' energy: -83.689
flat angles P-C4'-P energy: -46.599
tors. eta vs tors. theta energy: -59.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 187
Temperature: 1.250000
Total energy: -703.208431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -703.208431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -703.208431 (E_RNA)
where:
Base-Base interactions energy: -459.718
where: short stacking energy: -197.503
Base-Backbone interact. energy: 3.482
local terms energy: -246.972752
where:
bonds (distance) C4'-P energy: -67.438
bonds (distance) P-C4' energy: -63.994
flat angles C4'-P-C4' energy: -60.385
flat angles P-C4'-P energy: -21.979
tors. eta vs tors. theta energy: -33.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 187
Temperature: 1.300000
Total energy: -586.788468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -586.788468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -586.788468 (E_RNA)
where:
Base-Base interactions energy: -328.170
where: short stacking energy: -174.499
Base-Backbone interact. energy: -0.663
local terms energy: -257.955553
where:
bonds (distance) C4'-P energy: -62.516
bonds (distance) P-C4' energy: -75.205
flat angles C4'-P-C4' energy: -62.223
flat angles P-C4'-P energy: -36.915
tors. eta vs tors. theta energy: -21.096
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: 6
=====================================
Write number: 187
Temperature: 1.350000
Total energy: -516.761348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.761348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.761348 (E_RNA)
where:
Base-Base interactions energy: -292.052
where: short stacking energy: -147.337
Base-Backbone interact. energy: -0.139
local terms energy: -224.570788
where:
bonds (distance) C4'-P energy: -50.297
bonds (distance) P-C4' energy: -61.062
flat angles C4'-P-C4' energy: -60.681
flat angles P-C4'-P energy: -42.263
tors. eta vs tors. theta energy: -10.268
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: 7
=====================================
Write number: 188
Temperature: 0.900000
Total energy: -1379.009816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1379.009816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1379.009816 (E_RNA)
where:
Base-Base interactions energy: -972.847
where: short stacking energy: -424.227
Base-Backbone interact. energy: -0.899
local terms energy: -405.264644
where:
bonds (distance) C4'-P energy: -66.666
bonds (distance) P-C4' energy: -77.880
flat angles C4'-P-C4' energy: -83.154
flat angles P-C4'-P energy: -63.275
tors. eta vs tors. theta energy: -114.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 188
Temperature: 0.950000
Total energy: -1300.297023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1300.297023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1300.297023 (E_RNA)
where:
Base-Base interactions energy: -906.056
where: short stacking energy: -386.655
Base-Backbone interact. energy: -0.417
local terms energy: -393.823892
where:
bonds (distance) C4'-P energy: -72.682
bonds (distance) P-C4' energy: -75.462
flat angles C4'-P-C4' energy: -85.623
flat angles P-C4'-P energy: -49.644
tors. eta vs tors. theta energy: -110.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 188
Temperature: 1.000000
Total energy: -1273.189744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1273.189744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1273.189744 (E_RNA)
where:
Base-Base interactions energy: -881.944
where: short stacking energy: -383.012
Base-Backbone interact. energy: -0.452
local terms energy: -390.793121
where:
bonds (distance) C4'-P energy: -70.028
bonds (distance) P-C4' energy: -69.982
flat angles C4'-P-C4' energy: -82.084
flat angles P-C4'-P energy: -53.070
tors. eta vs tors. theta energy: -115.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 188
Temperature: 1.050000
Total energy: -1219.866072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1219.866072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1219.866072 (E_RNA)
where:
Base-Base interactions energy: -824.026
where: short stacking energy: -347.400
Base-Backbone interact. energy: -2.582
local terms energy: -393.257260
where:
bonds (distance) C4'-P energy: -70.234
bonds (distance) P-C4' energy: -82.349
flat angles C4'-P-C4' energy: -83.064
flat angles P-C4'-P energy: -57.468
tors. eta vs tors. theta energy: -100.141
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: 8
=====================================
Write number: 188
Temperature: 1.100000
Total energy: -1047.465961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1047.465961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1047.465961 (E_RNA)
where:
Base-Base interactions energy: -709.509
where: short stacking energy: -305.348
Base-Backbone interact. energy: -1.862
local terms energy: -336.095117
where:
bonds (distance) C4'-P energy: -74.889
bonds (distance) P-C4' energy: -60.865
flat angles C4'-P-C4' energy: -75.641
flat angles P-C4'-P energy: -47.340
tors. eta vs tors. theta energy: -77.360
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: 10
=====================================
Write number: 188
Temperature: 1.150000
Total energy: -985.900901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -985.900901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -985.900901 (E_RNA)
where:
Base-Base interactions energy: -683.075
where: short stacking energy: -286.728
Base-Backbone interact. energy: -3.042
local terms energy: -299.783832
where:
bonds (distance) C4'-P energy: -60.927
bonds (distance) P-C4' energy: -64.721
flat angles C4'-P-C4' energy: -69.383
flat angles P-C4'-P energy: -48.959
tors. eta vs tors. theta energy: -55.794
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: 188
Temperature: 1.200000
Total energy: -996.657544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -996.657544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -996.657544 (E_RNA)
where:
Base-Base interactions energy: -668.670
where: short stacking energy: -290.735
Base-Backbone interact. energy: -1.547
local terms energy: -326.573359
where:
bonds (distance) C4'-P energy: -65.725
bonds (distance) P-C4' energy: -62.968
flat angles C4'-P-C4' energy: -76.496
flat angles P-C4'-P energy: -43.640
tors. eta vs tors. theta energy: -77.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.133 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 188
Temperature: 1.250000
Total energy: -705.848965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -705.848965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -705.848965 (E_RNA)
where:
Base-Base interactions energy: -431.413
where: short stacking energy: -200.589
Base-Backbone interact. energy: 3.148
local terms energy: -277.583712
where:
bonds (distance) C4'-P energy: -61.707
bonds (distance) P-C4' energy: -73.466
flat angles C4'-P-C4' energy: -60.914
flat angles P-C4'-P energy: -44.041
tors. eta vs tors. theta energy: -37.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 188
Temperature: 1.300000
Total energy: -519.017223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.017223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.017223 (E_RNA)
where:
Base-Base interactions energy: -285.172
where: short stacking energy: -147.066
Base-Backbone interact. energy: -2.734
local terms energy: -231.400751
where:
bonds (distance) C4'-P energy: -59.710
bonds (distance) P-C4' energy: -69.355
flat angles C4'-P-C4' energy: -66.195
flat angles P-C4'-P energy: -26.364
tors. eta vs tors. theta energy: -9.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.289 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 188
Temperature: 1.350000
Total energy: -553.251670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.251670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.251670 (E_RNA)
where:
Base-Base interactions energy: -323.606
where: short stacking energy: -169.788
Base-Backbone interact. energy: -1.945
local terms energy: -227.701215
where:
bonds (distance) C4'-P energy: -47.098
bonds (distance) P-C4' energy: -64.301
flat angles C4'-P-C4' energy: -62.884
flat angles P-C4'-P energy: -33.110
tors. eta vs tors. theta energy: -20.308
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: 1, replica: 7
=====================================
Write number: 189
Temperature: 0.900000
Total energy: -1395.618328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1395.618328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1395.618328 (E_RNA)
where:
Base-Base interactions energy: -960.567
where: short stacking energy: -405.019
Base-Backbone interact. energy: -3.630
local terms energy: -431.420885
where:
bonds (distance) C4'-P energy: -76.811
bonds (distance) P-C4' energy: -80.785
flat angles C4'-P-C4' energy: -93.186
flat angles P-C4'-P energy: -61.761
tors. eta vs tors. theta energy: -118.879
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: 2, replica: 5
=====================================
Write number: 189
Temperature: 0.950000
Total energy: -1315.717476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1315.717476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1315.717476 (E_RNA)
where:
Base-Base interactions energy: -919.416
where: short stacking energy: -389.586
Base-Backbone interact. energy: -0.617
local terms energy: -395.684395
where:
bonds (distance) C4'-P energy: -68.534
bonds (distance) P-C4' energy: -78.213
flat angles C4'-P-C4' energy: -85.927
flat angles P-C4'-P energy: -57.377
tors. eta vs tors. theta energy: -105.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 189
Temperature: 1.000000
Total energy: -1270.808868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1270.808868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1270.808868 (E_RNA)
where:
Base-Base interactions energy: -865.775
where: short stacking energy: -374.352
Base-Backbone interact. energy: -1.197
local terms energy: -403.837229
where:
bonds (distance) C4'-P energy: -75.039
bonds (distance) P-C4' energy: -82.311
flat angles C4'-P-C4' energy: -83.606
flat angles P-C4'-P energy: -43.568
tors. eta vs tors. theta energy: -119.313
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: 9
=====================================
Write number: 189
Temperature: 1.050000
Total energy: -1210.400054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1210.400054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1210.400054 (E_RNA)
where:
Base-Base interactions energy: -841.344
where: short stacking energy: -370.578
Base-Backbone interact. energy: -0.741
local terms energy: -368.314887
where:
bonds (distance) C4'-P energy: -60.486
bonds (distance) P-C4' energy: -71.818
flat angles C4'-P-C4' energy: -87.933
flat angles P-C4'-P energy: -47.906
tors. eta vs tors. theta energy: -100.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 189
Temperature: 1.100000
Total energy: -1037.154197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1037.154197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1037.154197 (E_RNA)
where:
Base-Base interactions energy: -702.988
where: short stacking energy: -306.974
Base-Backbone interact. energy: -2.170
local terms energy: -331.996243
where:
bonds (distance) C4'-P energy: -64.627
bonds (distance) P-C4' energy: -67.608
flat angles C4'-P-C4' energy: -73.196
flat angles P-C4'-P energy: -51.276
tors. eta vs tors. theta energy: -75.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 189
Temperature: 1.150000
Total energy: -971.507585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -971.507585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -971.507585 (E_RNA)
where:
Base-Base interactions energy: -644.457
where: short stacking energy: -293.411
Base-Backbone interact. energy: 1.605
local terms energy: -328.655152
where:
bonds (distance) C4'-P energy: -75.008
bonds (distance) P-C4' energy: -64.852
flat angles C4'-P-C4' energy: -71.875
flat angles P-C4'-P energy: -39.385
tors. eta vs tors. theta energy: -77.534
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: 10
=====================================
Write number: 189
Temperature: 1.200000
Total energy: -955.478294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -955.478294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -955.478294 (E_RNA)
where:
Base-Base interactions energy: -646.505
where: short stacking energy: -295.914
Base-Backbone interact. energy: -1.622
local terms energy: -307.351071
where:
bonds (distance) C4'-P energy: -57.720
bonds (distance) P-C4' energy: -79.418
flat angles C4'-P-C4' energy: -64.967
flat angles P-C4'-P energy: -42.336
tors. eta vs tors. theta energy: -62.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 189
Temperature: 1.250000
Total energy: -734.418626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -734.418626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -734.418626 (E_RNA)
where:
Base-Base interactions energy: -472.286
where: short stacking energy: -215.291
Base-Backbone interact. energy: 0.180
local terms energy: -262.312095
where:
bonds (distance) C4'-P energy: -65.046
bonds (distance) P-C4' energy: -71.093
flat angles C4'-P-C4' energy: -56.600
flat angles P-C4'-P energy: -36.884
tors. eta vs tors. theta energy: -32.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 189
Temperature: 1.300000
Total energy: -538.032399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.032399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.032399 (E_RNA)
where:
Base-Base interactions energy: -288.627
where: short stacking energy: -155.596
Base-Backbone interact. energy: -2.314
local terms energy: -247.091922
where:
bonds (distance) C4'-P energy: -75.494
bonds (distance) P-C4' energy: -61.722
flat angles C4'-P-C4' energy: -58.724
flat angles P-C4'-P energy: -37.130
tors. eta vs tors. theta energy: -14.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 189
Temperature: 1.350000
Total energy: -504.885146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.885146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.885146 (E_RNA)
where:
Base-Base interactions energy: -257.808
where: short stacking energy: -126.104
Base-Backbone interact. energy: 3.695
local terms energy: -250.771981
where:
bonds (distance) C4'-P energy: -73.791
bonds (distance) P-C4' energy: -66.687
flat angles C4'-P-C4' energy: -62.901
flat angles P-C4'-P energy: -39.359
tors. eta vs tors. theta energy: -8.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 190
Temperature: 0.900000
Total energy: -1407.287100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1407.287100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1407.287100 (E_RNA)
where:
Base-Base interactions energy: -974.843
where: short stacking energy: -419.511
Base-Backbone interact. energy: -1.550
local terms energy: -430.894665
where:
bonds (distance) C4'-P energy: -71.490
bonds (distance) P-C4' energy: -76.233
flat angles C4'-P-C4' energy: -88.197
flat angles P-C4'-P energy: -72.587
tors. eta vs tors. theta energy: -122.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 190
Temperature: 0.950000
Total energy: -1341.029616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1341.029616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1341.029616 (E_RNA)
where:
Base-Base interactions energy: -935.263
where: short stacking energy: -375.697
Base-Backbone interact. energy: 2.086
local terms energy: -407.852781
where:
bonds (distance) C4'-P energy: -77.489
bonds (distance) P-C4' energy: -71.256
flat angles C4'-P-C4' energy: -85.112
flat angles P-C4'-P energy: -69.659
tors. eta vs tors. theta energy: -104.337
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: 190
Temperature: 1.000000
Total energy: -1276.277390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1276.277390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1276.277390 (E_RNA)
where:
Base-Base interactions energy: -869.215
where: short stacking energy: -382.460
Base-Backbone interact. energy: 1.092
local terms energy: -408.154850
where:
bonds (distance) C4'-P energy: -71.815
bonds (distance) P-C4' energy: -74.075
flat angles C4'-P-C4' energy: -87.779
flat angles P-C4'-P energy: -58.565
tors. eta vs tors. theta energy: -115.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 190
Temperature: 1.050000
Total energy: -1205.935772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1205.935772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1205.935772 (E_RNA)
where:
Base-Base interactions energy: -825.298
where: short stacking energy: -354.502
Base-Backbone interact. energy: -1.351
local terms energy: -379.287247
where:
bonds (distance) C4'-P energy: -69.104
bonds (distance) P-C4' energy: -75.084
flat angles C4'-P-C4' energy: -78.185
flat angles P-C4'-P energy: -58.824
tors. eta vs tors. theta energy: -98.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 190
Temperature: 1.100000
Total energy: -1083.629019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1083.629019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1083.629019 (E_RNA)
where:
Base-Base interactions energy: -726.134
where: short stacking energy: -331.747
Base-Backbone interact. energy: -0.627
local terms energy: -356.867943
where:
bonds (distance) C4'-P energy: -71.572
bonds (distance) P-C4' energy: -68.592
flat angles C4'-P-C4' energy: -78.678
flat angles P-C4'-P energy: -56.247
tors. eta vs tors. theta energy: -81.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 190
Temperature: 1.150000
Total energy: -961.358419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -961.358419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -961.358419 (E_RNA)
where:
Base-Base interactions energy: -628.946
where: short stacking energy: -291.823
Base-Backbone interact. energy: -1.034
local terms energy: -331.379186
where:
bonds (distance) C4'-P energy: -63.869
bonds (distance) P-C4' energy: -70.581
flat angles C4'-P-C4' energy: -74.381
flat angles P-C4'-P energy: -45.917
tors. eta vs tors. theta energy: -76.632
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: 10
=====================================
Write number: 190
Temperature: 1.200000
Total energy: -926.946045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -926.946045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -926.946045 (E_RNA)
where:
Base-Base interactions energy: -609.309
where: short stacking energy: -246.980
Base-Backbone interact. energy: -1.105
local terms energy: -316.532119
where:
bonds (distance) C4'-P energy: -72.425
bonds (distance) P-C4' energy: -78.524
flat angles C4'-P-C4' energy: -62.460
flat angles P-C4'-P energy: -41.338
tors. eta vs tors. theta energy: -61.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 190
Temperature: 1.250000
Total energy: -795.643551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -795.643551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -795.643551 (E_RNA)
where:
Base-Base interactions energy: -510.119
where: short stacking energy: -222.609
Base-Backbone interact. energy: -1.474
local terms energy: -284.050028
where:
bonds (distance) C4'-P energy: -63.496
bonds (distance) P-C4' energy: -60.607
flat angles C4'-P-C4' energy: -67.464
flat angles P-C4'-P energy: -49.657
tors. eta vs tors. theta energy: -42.826
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: 2
=====================================
Write number: 190
Temperature: 1.300000
Total energy: -551.928971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.928971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.928971 (E_RNA)
where:
Base-Base interactions energy: -330.748
where: short stacking energy: -155.663
Base-Backbone interact. energy: -2.321
local terms energy: -218.860314
where:
bonds (distance) C4'-P energy: -50.470
bonds (distance) P-C4' energy: -63.799
flat angles C4'-P-C4' energy: -61.555
flat angles P-C4'-P energy: -25.062
tors. eta vs tors. theta energy: -17.973
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: 6
=====================================
Write number: 190
Temperature: 1.350000
Total energy: -545.904209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.904209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.904209 (E_RNA)
where:
Base-Base interactions energy: -306.660
where: short stacking energy: -154.106
Base-Backbone interact. energy: 5.880
local terms energy: -245.124323
where:
bonds (distance) C4'-P energy: -64.581
bonds (distance) P-C4' energy: -62.335
flat angles C4'-P-C4' energy: -65.579
flat angles P-C4'-P energy: -33.337
tors. eta vs tors. theta energy: -19.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 191
Temperature: 0.900000
Total energy: -1416.074577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1416.074577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1416.074577 (E_RNA)
where:
Base-Base interactions energy: -995.511
where: short stacking energy: -431.352
Base-Backbone interact. energy: -1.264
local terms energy: -419.300118
where:
bonds (distance) C4'-P energy: -69.458
bonds (distance) P-C4' energy: -73.302
flat angles C4'-P-C4' energy: -89.177
flat angles P-C4'-P energy: -61.093
tors. eta vs tors. theta energy: -126.271
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: 5
=====================================
Write number: 191
Temperature: 0.950000
Total energy: -1321.474092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1321.474092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1321.474092 (E_RNA)
where:
Base-Base interactions energy: -928.320
where: short stacking energy: -380.117
Base-Backbone interact. energy: 1.361
local terms energy: -394.515340
where:
bonds (distance) C4'-P energy: -76.282
bonds (distance) P-C4' energy: -77.488
flat angles C4'-P-C4' energy: -80.533
flat angles P-C4'-P energy: -54.972
tors. eta vs tors. theta energy: -105.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 191
Temperature: 1.000000
Total energy: -1266.286846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1266.286846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1266.286846 (E_RNA)
where:
Base-Base interactions energy: -862.462
where: short stacking energy: -359.379
Base-Backbone interact. energy: 0.033
local terms energy: -403.857684
where:
bonds (distance) C4'-P energy: -75.969
bonds (distance) P-C4' energy: -76.137
flat angles C4'-P-C4' energy: -85.188
flat angles P-C4'-P energy: -51.658
tors. eta vs tors. theta energy: -114.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 191
Temperature: 1.050000
Total energy: -1203.830515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1203.830515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1203.830515 (E_RNA)
where:
Base-Base interactions energy: -821.987
where: short stacking energy: -355.594
Base-Backbone interact. energy: 0.548
local terms energy: -382.391514
where:
bonds (distance) C4'-P energy: -65.717
bonds (distance) P-C4' energy: -74.115
flat angles C4'-P-C4' energy: -86.916
flat angles P-C4'-P energy: -57.061
tors. eta vs tors. theta energy: -98.582
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: 8
=====================================
Write number: 191
Temperature: 1.100000
Total energy: -1084.416397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1084.416397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1084.416397 (E_RNA)
where:
Base-Base interactions energy: -745.697
where: short stacking energy: -310.222
Base-Backbone interact. energy: 0.096
local terms energy: -338.814994
where:
bonds (distance) C4'-P energy: -72.522
bonds (distance) P-C4' energy: -65.914
flat angles C4'-P-C4' energy: -81.044
flat angles P-C4'-P energy: -45.226
tors. eta vs tors. theta energy: -74.108
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: 1
=====================================
Write number: 191
Temperature: 1.150000
Total energy: -945.817554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -945.817554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -945.817554 (E_RNA)
where:
Base-Base interactions energy: -627.128
where: short stacking energy: -284.486
Base-Backbone interact. energy: -1.008
local terms energy: -317.682296
where:
bonds (distance) C4'-P energy: -57.743
bonds (distance) P-C4' energy: -57.556
flat angles C4'-P-C4' energy: -88.436
flat angles P-C4'-P energy: -39.413
tors. eta vs tors. theta energy: -74.534
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: 10
=====================================
Write number: 191
Temperature: 1.200000
Total energy: -914.831163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -914.831163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -914.831163 (E_RNA)
where:
Base-Base interactions energy: -614.936
where: short stacking energy: -267.372
Base-Backbone interact. energy: -0.924
local terms energy: -298.970738
where:
bonds (distance) C4'-P energy: -55.685
bonds (distance) P-C4' energy: -78.833
flat angles C4'-P-C4' energy: -68.825
flat angles P-C4'-P energy: -41.095
tors. eta vs tors. theta energy: -54.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 191
Temperature: 1.250000
Total energy: -809.821666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -809.821666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -809.821666 (E_RNA)
where:
Base-Base interactions energy: -539.267
where: short stacking energy: -252.582
Base-Backbone interact. energy: 0.904
local terms energy: -271.458969
where:
bonds (distance) C4'-P energy: -53.053
bonds (distance) P-C4' energy: -74.817
flat angles C4'-P-C4' energy: -48.512
flat angles P-C4'-P energy: -36.479
tors. eta vs tors. theta energy: -58.598
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: 2
=====================================
Write number: 191
Temperature: 1.300000
Total energy: -529.879966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.879966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.879966 (E_RNA)
where:
Base-Base interactions energy: -301.828
where: short stacking energy: -158.264
Base-Backbone interact. energy: -1.875
local terms energy: -226.177531
where:
bonds (distance) C4'-P energy: -68.198
bonds (distance) P-C4' energy: -68.196
flat angles C4'-P-C4' energy: -45.005
flat angles P-C4'-P energy: -32.613
tors. eta vs tors. theta energy: -12.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 191
Temperature: 1.350000
Total energy: -473.747905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.747905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.747905 (E_RNA)
where:
Base-Base interactions energy: -275.429
where: short stacking energy: -133.706
Base-Backbone interact. energy: 1.775
local terms energy: -200.093603
where:
bonds (distance) C4'-P energy: -48.484
bonds (distance) P-C4' energy: -65.053
flat angles C4'-P-C4' energy: -54.535
flat angles P-C4'-P energy: -28.461
tors. eta vs tors. theta energy: -3.561
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: 7
=====================================
Write number: 192
Temperature: 0.900000
Total energy: -1398.016622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1398.016622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1398.016622 (E_RNA)
where:
Base-Base interactions energy: -970.871
where: short stacking energy: -412.315
Base-Backbone interact. energy: -1.545
local terms energy: -425.600860
where:
bonds (distance) C4'-P energy: -75.208
bonds (distance) P-C4' energy: -87.061
flat angles C4'-P-C4' energy: -92.549
flat angles P-C4'-P energy: -56.058
tors. eta vs tors. theta energy: -114.724
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: 2, replica: 5
=====================================
Write number: 192
Temperature: 0.950000
Total energy: -1309.769557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1309.769557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1309.769557 (E_RNA)
where:
Base-Base interactions energy: -892.645
where: short stacking energy: -389.514
Base-Backbone interact. energy: -2.253
local terms energy: -414.871898
where:
bonds (distance) C4'-P energy: -79.420
bonds (distance) P-C4' energy: -76.115
flat angles C4'-P-C4' energy: -91.110
flat angles P-C4'-P energy: -55.954
tors. eta vs tors. theta energy: -112.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 192
Temperature: 1.000000
Total energy: -1230.633597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1230.633597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1230.633597 (E_RNA)
where:
Base-Base interactions energy: -844.736
where: short stacking energy: -366.651
Base-Backbone interact. energy: -1.258
local terms energy: -384.639484
where:
bonds (distance) C4'-P energy: -69.334
bonds (distance) P-C4' energy: -68.731
flat angles C4'-P-C4' energy: -85.215
flat angles P-C4'-P energy: -62.216
tors. eta vs tors. theta energy: -99.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 192
Temperature: 1.050000
Total energy: -1269.301236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1269.301236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1269.301236 (E_RNA)
where:
Base-Base interactions energy: -864.121
where: short stacking energy: -375.990
Base-Backbone interact. energy: -1.102
local terms energy: -404.078432
where:
bonds (distance) C4'-P energy: -76.001
bonds (distance) P-C4' energy: -86.986
flat angles C4'-P-C4' energy: -73.230
flat angles P-C4'-P energy: -56.208
tors. eta vs tors. theta energy: -111.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 192
Temperature: 1.100000
Total energy: -1022.997499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1022.997499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1022.997499 (E_RNA)
where:
Base-Base interactions energy: -675.316
where: short stacking energy: -332.491
Base-Backbone interact. energy: 4.558
local terms energy: -352.239559
where:
bonds (distance) C4'-P energy: -69.425
bonds (distance) P-C4' energy: -73.900
flat angles C4'-P-C4' energy: -76.779
flat angles P-C4'-P energy: -47.448
tors. eta vs tors. theta energy: -84.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 192
Temperature: 1.150000
Total energy: -1016.067936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1016.067936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1016.067936 (E_RNA)
where:
Base-Base interactions energy: -680.596
where: short stacking energy: -312.933
Base-Backbone interact. energy: -0.748
local terms energy: -334.723307
where:
bonds (distance) C4'-P energy: -63.612
bonds (distance) P-C4' energy: -64.342
flat angles C4'-P-C4' energy: -74.118
flat angles P-C4'-P energy: -49.059
tors. eta vs tors. theta energy: -83.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 192
Temperature: 1.200000
Total energy: -899.991774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -899.991774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -899.991774 (E_RNA)
where:
Base-Base interactions energy: -586.137
where: short stacking energy: -258.893
Base-Backbone interact. energy: -0.761
local terms energy: -313.093911
where:
bonds (distance) C4'-P energy: -60.651
bonds (distance) P-C4' energy: -66.717
flat angles C4'-P-C4' energy: -76.959
flat angles P-C4'-P energy: -49.555
tors. eta vs tors. theta energy: -59.213
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: 4
=====================================
Write number: 192
Temperature: 1.250000
Total energy: -819.175252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -819.175252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -819.175252 (E_RNA)
where:
Base-Base interactions energy: -530.624
where: short stacking energy: -252.098
Base-Backbone interact. energy: -1.631
local terms energy: -286.919708
where:
bonds (distance) C4'-P energy: -49.368
bonds (distance) P-C4' energy: -84.902
flat angles C4'-P-C4' energy: -55.265
flat angles P-C4'-P energy: -38.031
tors. eta vs tors. theta energy: -59.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 192
Temperature: 1.300000
Total energy: -583.442930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -583.442930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -583.442930 (E_RNA)
where:
Base-Base interactions energy: -327.070
where: short stacking energy: -178.905
Base-Backbone interact. energy: -2.817
local terms energy: -253.555922
where:
bonds (distance) C4'-P energy: -68.035
bonds (distance) P-C4' energy: -72.438
flat angles C4'-P-C4' energy: -53.178
flat angles P-C4'-P energy: -45.746
tors. eta vs tors. theta energy: -14.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 192
Temperature: 1.350000
Total energy: -528.664101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.664101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.664101 (E_RNA)
where:
Base-Base interactions energy: -283.526
where: short stacking energy: -136.390
Base-Backbone interact. energy: -2.455
local terms energy: -242.683451
where:
bonds (distance) C4'-P energy: -59.336
bonds (distance) P-C4' energy: -67.356
flat angles C4'-P-C4' energy: -65.181
flat angles P-C4'-P energy: -30.206
tors. eta vs tors. theta energy: -20.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 193
Temperature: 0.900000
Total energy: -1397.810605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1397.810605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1397.810605 (E_RNA)
where:
Base-Base interactions energy: -979.419
where: short stacking energy: -416.695
Base-Backbone interact. energy: -0.926
local terms energy: -417.465568
where:
bonds (distance) C4'-P energy: -76.377
bonds (distance) P-C4' energy: -87.138
flat angles C4'-P-C4' energy: -85.303
flat angles P-C4'-P energy: -55.816
tors. eta vs tors. theta energy: -112.831
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: 2, replica: 5
=====================================
Write number: 193
Temperature: 0.950000
Total energy: -1319.632088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1319.632088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1319.632088 (E_RNA)
where:
Base-Base interactions energy: -918.190
where: short stacking energy: -379.632
Base-Backbone interact. energy: -2.241
local terms energy: -399.201324
where:
bonds (distance) C4'-P energy: -76.592
bonds (distance) P-C4' energy: -72.114
flat angles C4'-P-C4' energy: -78.858
flat angles P-C4'-P energy: -55.186
tors. eta vs tors. theta energy: -116.451
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: 3, replica: 9
=====================================
Write number: 193
Temperature: 1.000000
Total energy: -1228.207014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1228.207014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1228.207014 (E_RNA)
where:
Base-Base interactions energy: -840.239
where: short stacking energy: -369.308
Base-Backbone interact. energy: 1.025
local terms energy: -388.993120
where:
bonds (distance) C4'-P energy: -70.660
bonds (distance) P-C4' energy: -64.502
flat angles C4'-P-C4' energy: -85.913
flat angles P-C4'-P energy: -67.216
tors. eta vs tors. theta energy: -100.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 193
Temperature: 1.050000
Total energy: -1255.078455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1255.078455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1255.078455 (E_RNA)
where:
Base-Base interactions energy: -854.364
where: short stacking energy: -366.657
Base-Backbone interact. energy: 0.036
local terms energy: -400.750045
where:
bonds (distance) C4'-P energy: -69.555
bonds (distance) P-C4' energy: -76.737
flat angles C4'-P-C4' energy: -91.034
flat angles P-C4'-P energy: -54.712
tors. eta vs tors. theta energy: -108.712
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: 1
=====================================
Write number: 193
Temperature: 1.100000
Total energy: -1017.754489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1017.754489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1017.754489 (E_RNA)
where:
Base-Base interactions energy: -653.549
where: short stacking energy: -293.090
Base-Backbone interact. energy: -1.228
local terms energy: -362.977743
where:
bonds (distance) C4'-P energy: -75.533
bonds (distance) P-C4' energy: -75.430
flat angles C4'-P-C4' energy: -75.044
flat angles P-C4'-P energy: -55.528
tors. eta vs tors. theta energy: -81.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 193
Temperature: 1.150000
Total energy: -1104.863798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1104.863798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1104.863798 (E_RNA)
where:
Base-Base interactions energy: -764.191
where: short stacking energy: -320.225
Base-Backbone interact. energy: 0.271
local terms energy: -340.943265
where:
bonds (distance) C4'-P energy: -64.344
bonds (distance) P-C4' energy: -65.488
flat angles C4'-P-C4' energy: -80.465
flat angles P-C4'-P energy: -42.057
tors. eta vs tors. theta energy: -88.590
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: 10
=====================================
Write number: 193
Temperature: 1.200000
Total energy: -855.594789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -855.594789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -855.594789 (E_RNA)
where:
Base-Base interactions energy: -567.861
where: short stacking energy: -249.559
Base-Backbone interact. energy: -2.008
local terms energy: -285.725596
where:
bonds (distance) C4'-P energy: -61.735
bonds (distance) P-C4' energy: -67.877
flat angles C4'-P-C4' energy: -64.112
flat angles P-C4'-P energy: -37.509
tors. eta vs tors. theta energy: -54.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 193
Temperature: 1.250000
Total energy: -803.068531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -803.068531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -803.068531 (E_RNA)
where:
Base-Base interactions energy: -519.286
where: short stacking energy: -220.570
Base-Backbone interact. energy: 3.554
local terms energy: -287.336663
where:
bonds (distance) C4'-P energy: -65.351
bonds (distance) P-C4' energy: -72.099
flat angles C4'-P-C4' energy: -50.956
flat angles P-C4'-P energy: -53.378
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: 2
=====================================
Write number: 193
Temperature: 1.300000
Total energy: -593.326153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -593.326153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -593.326153 (E_RNA)
where:
Base-Base interactions energy: -338.463
where: short stacking energy: -160.777
Base-Backbone interact. energy: -2.767
local terms energy: -252.096504
where:
bonds (distance) C4'-P energy: -65.266
bonds (distance) P-C4' energy: -63.013
flat angles C4'-P-C4' energy: -67.915
flat angles P-C4'-P energy: -36.938
tors. eta vs tors. theta energy: -18.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 193
Temperature: 1.350000
Total energy: -585.366164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -585.366164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -585.366164 (E_RNA)
where:
Base-Base interactions energy: -339.043
where: short stacking energy: -152.774
Base-Backbone interact. energy: -2.133
local terms energy: -244.189899
where:
bonds (distance) C4'-P energy: -65.608
bonds (distance) P-C4' energy: -65.987
flat angles C4'-P-C4' energy: -65.269
flat angles P-C4'-P energy: -30.801
tors. eta vs tors. theta energy: -16.525
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: 1, replica: 5
=====================================
Write number: 194
Temperature: 0.900000
Total energy: -1373.928363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1373.928363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1373.928363 (E_RNA)
where:
Base-Base interactions energy: -945.823
where: short stacking energy: -415.518
Base-Backbone interact. energy: -0.803
local terms energy: -427.302477
where:
bonds (distance) C4'-P energy: -68.239
bonds (distance) P-C4' energy: -83.481
flat angles C4'-P-C4' energy: -88.378
flat angles P-C4'-P energy: -69.995
tors. eta vs tors. theta energy: -117.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 194
Temperature: 0.950000
Total energy: -1364.630224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1364.630224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1364.630224 (E_RNA)
where:
Base-Base interactions energy: -949.259
where: short stacking energy: -394.582
Base-Backbone interact. energy: 0.523
local terms energy: -415.894153
where:
bonds (distance) C4'-P energy: -75.348
bonds (distance) P-C4' energy: -80.158
flat angles C4'-P-C4' energy: -83.462
flat angles P-C4'-P energy: -54.012
tors. eta vs tors. theta energy: -122.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 194
Temperature: 1.000000
Total energy: -1243.371076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1243.371076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1243.371076 (E_RNA)
where:
Base-Base interactions energy: -831.441
where: short stacking energy: -365.386
Base-Backbone interact. energy: -1.579
local terms energy: -410.350588
where:
bonds (distance) C4'-P energy: -76.065
bonds (distance) P-C4' energy: -80.159
flat angles C4'-P-C4' energy: -91.784
flat angles P-C4'-P energy: -54.917
tors. eta vs tors. theta energy: -107.425
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: 4, replica: 3
=====================================
Write number: 194
Temperature: 1.050000
Total energy: -1258.117630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1258.117630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1258.117630 (E_RNA)
where:
Base-Base interactions energy: -877.482
where: short stacking energy: -382.580
Base-Backbone interact. energy: -0.405
local terms energy: -380.230187
where:
bonds (distance) C4'-P energy: -61.445
bonds (distance) P-C4' energy: -74.690
flat angles C4'-P-C4' energy: -79.985
flat angles P-C4'-P energy: -52.636
tors. eta vs tors. theta energy: -111.474
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: 5, replica: 8
=====================================
Write number: 194
Temperature: 1.100000
Total energy: -1123.828607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1123.828607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1123.828607 (E_RNA)
where:
Base-Base interactions energy: -758.804
where: short stacking energy: -322.027
Base-Backbone interact. energy: -1.703
local terms energy: -363.546032
where:
bonds (distance) C4'-P energy: -69.570
bonds (distance) P-C4' energy: -57.249
flat angles C4'-P-C4' energy: -83.509
flat angles P-C4'-P energy: -62.873
tors. eta vs tors. theta energy: -90.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.224 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 194
Temperature: 1.150000
Total energy: -1001.308775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1001.308775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1001.308775 (E_RNA)
where:
Base-Base interactions energy: -671.783
where: short stacking energy: -312.829
Base-Backbone interact. energy: -0.168
local terms energy: -329.357915
where:
bonds (distance) C4'-P energy: -59.066
bonds (distance) P-C4' energy: -72.750
flat angles C4'-P-C4' energy: -66.964
flat angles P-C4'-P energy: -41.326
tors. eta vs tors. theta energy: -89.253
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: 7, replica: 10
=====================================
Write number: 194
Temperature: 1.200000
Total energy: -833.408735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -833.408735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -833.408735 (E_RNA)
where:
Base-Base interactions energy: -526.510
where: short stacking energy: -248.999
Base-Backbone interact. energy: 0.254
local terms energy: -307.152982
where:
bonds (distance) C4'-P energy: -78.460
bonds (distance) P-C4' energy: -67.046
flat angles C4'-P-C4' energy: -59.202
flat angles P-C4'-P energy: -50.250
tors. eta vs tors. theta energy: -52.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 194
Temperature: 1.250000
Total energy: -806.200802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -806.200802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -806.200802 (E_RNA)
where:
Base-Base interactions energy: -527.526
where: short stacking energy: -214.680
Base-Backbone interact. energy: -1.416
local terms energy: -277.456543
where:
bonds (distance) C4'-P energy: -65.526
bonds (distance) P-C4' energy: -73.222
flat angles C4'-P-C4' energy: -56.246
flat angles P-C4'-P energy: -53.455
tors. eta vs tors. theta energy: -29.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.198 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 194
Temperature: 1.300000
Total energy: -572.967211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -572.967211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -572.967211 (E_RNA)
where:
Base-Base interactions energy: -322.691
where: short stacking energy: -155.866
Base-Backbone interact. energy: -1.398
local terms energy: -248.877824
where:
bonds (distance) C4'-P energy: -57.747
bonds (distance) P-C4' energy: -73.607
flat angles C4'-P-C4' energy: -62.740
flat angles P-C4'-P energy: -43.416
tors. eta vs tors. theta energy: -11.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 194
Temperature: 1.350000
Total energy: -701.936012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -701.936012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -701.936012 (E_RNA)
where:
Base-Base interactions energy: -430.101
where: short stacking energy: -195.344
Base-Backbone interact. energy: 5.613
local terms energy: -279.082694
where:
bonds (distance) C4'-P energy: -68.884
bonds (distance) P-C4' energy: -69.528
flat angles C4'-P-C4' energy: -63.501
flat angles P-C4'-P energy: -37.216
tors. eta vs tors. theta energy: -39.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.635 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 195
Temperature: 0.900000
Total energy: -1367.323012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1367.323012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1367.323012 (E_RNA)
where:
Base-Base interactions energy: -935.625
where: short stacking energy: -418.564
Base-Backbone interact. energy: -1.722
local terms energy: -429.975846
where:
bonds (distance) C4'-P energy: -72.564
bonds (distance) P-C4' energy: -86.416
flat angles C4'-P-C4' energy: -89.428
flat angles P-C4'-P energy: -57.468
tors. eta vs tors. theta energy: -124.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 195
Temperature: 0.950000
Total energy: -1369.834019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1369.834019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1369.834019 (E_RNA)
where:
Base-Base interactions energy: -963.199
where: short stacking energy: -400.735
Base-Backbone interact. energy: -1.351
local terms energy: -405.283949
where:
bonds (distance) C4'-P energy: -65.867
bonds (distance) P-C4' energy: -78.498
flat angles C4'-P-C4' energy: -76.909
flat angles P-C4'-P energy: -63.666
tors. eta vs tors. theta energy: -120.343
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: 9
=====================================
Write number: 195
Temperature: 1.000000
Total energy: -1265.008532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1265.008532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1265.008532 (E_RNA)
where:
Base-Base interactions energy: -868.944
where: short stacking energy: -376.892
Base-Backbone interact. energy: -2.403
local terms energy: -393.660872
where:
bonds (distance) C4'-P energy: -80.442
bonds (distance) P-C4' energy: -76.408
flat angles C4'-P-C4' energy: -83.366
flat angles P-C4'-P energy: -44.567
tors. eta vs tors. theta energy: -108.878
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: 195
Temperature: 1.050000
Total energy: -1258.738122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1258.738122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1258.738122 (E_RNA)
where:
Base-Base interactions energy: -880.266
where: short stacking energy: -379.550
Base-Backbone interact. energy: 0.156
local terms energy: -378.628787
where:
bonds (distance) C4'-P energy: -62.093
bonds (distance) P-C4' energy: -65.169
flat angles C4'-P-C4' energy: -87.499
flat angles P-C4'-P energy: -48.732
tors. eta vs tors. theta energy: -115.136
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: 8
=====================================
Write number: 195
Temperature: 1.100000
Total energy: -1129.832483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1129.832483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1129.832483 (E_RNA)
where:
Base-Base interactions energy: -776.018
where: short stacking energy: -321.273
Base-Backbone interact. energy: 0.373
local terms energy: -354.187739
where:
bonds (distance) C4'-P energy: -61.749
bonds (distance) P-C4' energy: -68.479
flat angles C4'-P-C4' energy: -82.422
flat angles P-C4'-P energy: -48.651
tors. eta vs tors. theta energy: -92.886
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: 1
=====================================
Write number: 195
Temperature: 1.150000
Total energy: -1061.289269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1061.289269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1061.289269 (E_RNA)
where:
Base-Base interactions energy: -700.892
where: short stacking energy: -316.121
Base-Backbone interact. energy: -2.816
local terms energy: -357.898281
where:
bonds (distance) C4'-P energy: -54.563
bonds (distance) P-C4' energy: -79.237
flat angles C4'-P-C4' energy: -77.933
flat angles P-C4'-P energy: -47.363
tors. eta vs tors. theta energy: -98.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.318 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 195
Temperature: 1.200000
Total energy: -798.738184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -798.738184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -798.738184 (E_RNA)
where:
Base-Base interactions energy: -481.309
where: short stacking energy: -229.800
Base-Backbone interact. energy: -1.037
local terms energy: -316.391840
where:
bonds (distance) C4'-P energy: -69.420
bonds (distance) P-C4' energy: -72.373
flat angles C4'-P-C4' energy: -75.112
flat angles P-C4'-P energy: -47.662
tors. eta vs tors. theta energy: -51.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 195
Temperature: 1.250000
Total energy: -776.620344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -776.620344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -776.620344 (E_RNA)
where:
Base-Base interactions energy: -492.760
where: short stacking energy: -235.083
Base-Backbone interact. energy: -0.360
local terms energy: -283.500307
where:
bonds (distance) C4'-P energy: -58.074
bonds (distance) P-C4' energy: -68.476
flat angles C4'-P-C4' energy: -66.046
flat angles P-C4'-P energy: -38.337
tors. eta vs tors. theta energy: -52.567
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: 2
=====================================
Write number: 195
Temperature: 1.300000
Total energy: -569.337193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -569.337193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -569.337193 (E_RNA)
where:
Base-Base interactions energy: -318.874
where: short stacking energy: -155.606
Base-Backbone interact. energy: 0.321
local terms energy: -250.784086
where:
bonds (distance) C4'-P energy: -63.449
bonds (distance) P-C4' energy: -63.065
flat angles C4'-P-C4' energy: -64.636
flat angles P-C4'-P energy: -39.197
tors. eta vs tors. theta energy: -20.436
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: 10, replica: 6
=====================================
Write number: 195
Temperature: 1.350000
Total energy: -605.739932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -605.739932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -605.739932 (E_RNA)
where:
Base-Base interactions energy: -371.389
where: short stacking energy: -166.085
Base-Backbone interact. energy: -1.223
local terms energy: -233.128607
where:
bonds (distance) C4'-P energy: -55.315
bonds (distance) P-C4' energy: -70.368
flat angles C4'-P-C4' energy: -42.277
flat angles P-C4'-P energy: -39.107
tors. eta vs tors. theta energy: -26.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 196
Temperature: 0.900000
Total energy: -1410.163321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1410.163321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1410.163321 (E_RNA)
where:
Base-Base interactions energy: -971.458
where: short stacking energy: -415.380
Base-Backbone interact. energy: -1.643
local terms energy: -437.062627
where:
bonds (distance) C4'-P energy: -79.452
bonds (distance) P-C4' energy: -80.827
flat angles C4'-P-C4' energy: -93.798
flat angles P-C4'-P energy: -61.295
tors. eta vs tors. theta energy: -121.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 196
Temperature: 0.950000
Total energy: -1333.397147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1333.397147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1333.397147 (E_RNA)
where:
Base-Base interactions energy: -917.076
where: short stacking energy: -407.378
Base-Backbone interact. energy: -0.184
local terms energy: -416.137162
where:
bonds (distance) C4'-P energy: -71.647
bonds (distance) P-C4' energy: -69.812
flat angles C4'-P-C4' energy: -81.433
flat angles P-C4'-P energy: -66.407
tors. eta vs tors. theta energy: -126.838
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: 3, replica: 9
=====================================
Write number: 196
Temperature: 1.000000
Total energy: -1245.974756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1245.974756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1245.974756 (E_RNA)
where:
Base-Base interactions energy: -845.236
where: short stacking energy: -368.378
Base-Backbone interact. energy: -1.999
local terms energy: -398.739921
where:
bonds (distance) C4'-P energy: -68.166
bonds (distance) P-C4' energy: -83.216
flat angles C4'-P-C4' energy: -83.777
flat angles P-C4'-P energy: -57.525
tors. eta vs tors. theta energy: -106.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 196
Temperature: 1.050000
Total energy: -1241.416613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1241.416613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1241.416613 (E_RNA)
where:
Base-Base interactions energy: -853.075
where: short stacking energy: -369.999
Base-Backbone interact. energy: -1.564
local terms energy: -386.777126
where:
bonds (distance) C4'-P energy: -73.555
bonds (distance) P-C4' energy: -68.384
flat angles C4'-P-C4' energy: -82.138
flat angles P-C4'-P energy: -53.529
tors. eta vs tors. theta energy: -109.171
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: 8
=====================================
Write number: 196
Temperature: 1.100000
Total energy: -1105.255826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1105.255826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1105.255826 (E_RNA)
where:
Base-Base interactions energy: -758.495
where: short stacking energy: -321.567
Base-Backbone interact. energy: -0.919
local terms energy: -345.841874
where:
bonds (distance) C4'-P energy: -60.214
bonds (distance) P-C4' energy: -72.738
flat angles C4'-P-C4' energy: -73.586
flat angles P-C4'-P energy: -51.535
tors. eta vs tors. theta energy: -87.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 196
Temperature: 1.150000
Total energy: -1026.058257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1026.058257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1026.058257 (E_RNA)
where:
Base-Base interactions energy: -669.353
where: short stacking energy: -304.018
Base-Backbone interact. energy: -2.480
local terms energy: -354.225394
where:
bonds (distance) C4'-P energy: -72.551
bonds (distance) P-C4' energy: -69.576
flat angles C4'-P-C4' energy: -70.378
flat angles P-C4'-P energy: -54.441
tors. eta vs tors. theta energy: -87.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 196
Temperature: 1.200000
Total energy: -836.280494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -836.280494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -836.280494 (E_RNA)
where:
Base-Base interactions energy: -542.340
where: short stacking energy: -226.187
Base-Backbone interact. energy: -1.116
local terms energy: -292.824961
where:
bonds (distance) C4'-P energy: -67.252
bonds (distance) P-C4' energy: -75.330
flat angles C4'-P-C4' energy: -71.728
flat angles P-C4'-P energy: -37.891
tors. eta vs tors. theta energy: -40.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 196
Temperature: 1.250000
Total energy: -768.476495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -768.476495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -768.476495 (E_RNA)
where:
Base-Base interactions energy: -482.307
where: short stacking energy: -227.100
Base-Backbone interact. energy: 1.504
local terms energy: -291.257212
where:
bonds (distance) C4'-P energy: -57.672
bonds (distance) P-C4' energy: -76.309
flat angles C4'-P-C4' energy: -71.996
flat angles P-C4'-P energy: -46.294
tors. eta vs tors. theta energy: -38.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 3.584 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 196
Temperature: 1.300000
Total energy: -563.209143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -563.209143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -563.209143 (E_RNA)
where:
Base-Base interactions energy: -323.394
where: short stacking energy: -155.582
Base-Backbone interact. energy: 3.032
local terms energy: -242.847202
where:
bonds (distance) C4'-P energy: -59.778
bonds (distance) P-C4' energy: -54.553
flat angles C4'-P-C4' energy: -72.957
flat angles P-C4'-P energy: -37.791
tors. eta vs tors. theta energy: -17.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 196
Temperature: 1.350000
Total energy: -559.982452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.982452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.982452 (E_RNA)
where:
Base-Base interactions energy: -328.979
where: short stacking energy: -188.884
Base-Backbone interact. energy: -1.026
local terms energy: -229.978227
where:
bonds (distance) C4'-P energy: -54.292
bonds (distance) P-C4' energy: -60.136
flat angles C4'-P-C4' energy: -63.325
flat angles P-C4'-P energy: -27.257
tors. eta vs tors. theta energy: -24.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 197
Temperature: 0.900000
Total energy: -1408.612295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1408.612295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1408.612295 (E_RNA)
where:
Base-Base interactions energy: -976.847
where: short stacking energy: -414.155
Base-Backbone interact. energy: -2.313
local terms energy: -429.451601
where:
bonds (distance) C4'-P energy: -81.093
bonds (distance) P-C4' energy: -78.344
flat angles C4'-P-C4' energy: -85.917
flat angles P-C4'-P energy: -59.720
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: 2, replica: 9
=====================================
Write number: 197
Temperature: 0.950000
Total energy: -1309.202903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1309.202903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1309.202903 (E_RNA)
where:
Base-Base interactions energy: -911.349
where: short stacking energy: -374.017
Base-Backbone interact. energy: -2.484
local terms energy: -395.369787
where:
bonds (distance) C4'-P energy: -75.746
bonds (distance) P-C4' energy: -71.257
flat angles C4'-P-C4' energy: -83.397
flat angles P-C4'-P energy: -54.567
tors. eta vs tors. theta energy: -110.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 197
Temperature: 1.000000
Total energy: -1322.466439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1322.466439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1322.466439 (E_RNA)
where:
Base-Base interactions energy: -902.862
where: short stacking energy: -396.180
Base-Backbone interact. energy: -2.135
local terms energy: -417.469187
where:
bonds (distance) C4'-P energy: -75.307
bonds (distance) P-C4' energy: -71.839
flat angles C4'-P-C4' energy: -90.928
flat angles P-C4'-P energy: -57.662
tors. eta vs tors. theta energy: -121.734
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: 197
Temperature: 1.050000
Total energy: -1250.075351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1250.075351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1250.075351 (E_RNA)
where:
Base-Base interactions energy: -855.357
where: short stacking energy: -358.423
Base-Backbone interact. energy: -1.153
local terms energy: -393.566188
where:
bonds (distance) C4'-P energy: -78.468
bonds (distance) P-C4' energy: -70.069
flat angles C4'-P-C4' energy: -90.488
flat angles P-C4'-P energy: -54.016
tors. eta vs tors. theta energy: -100.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 197
Temperature: 1.100000
Total energy: -1083.675984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1083.675984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1083.675984 (E_RNA)
where:
Base-Base interactions energy: -759.823
where: short stacking energy: -322.761
Base-Backbone interact. energy: -0.819
local terms energy: -323.033791
where:
bonds (distance) C4'-P energy: -53.571
bonds (distance) P-C4' energy: -72.546
flat angles C4'-P-C4' energy: -65.400
flat angles P-C4'-P energy: -43.808
tors. eta vs tors. theta energy: -87.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 197
Temperature: 1.150000
Total energy: -1049.020262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1049.020262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1049.020262 (E_RNA)
where:
Base-Base interactions energy: -698.028
where: short stacking energy: -311.315
Base-Backbone interact. energy: -2.066
local terms energy: -348.927098
where:
bonds (distance) C4'-P energy: -68.213
bonds (distance) P-C4' energy: -69.330
flat angles C4'-P-C4' energy: -68.340
flat angles P-C4'-P energy: -50.029
tors. eta vs tors. theta energy: -93.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 197
Temperature: 1.200000
Total energy: -829.572562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -829.572562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -829.572562 (E_RNA)
where:
Base-Base interactions energy: -534.574
where: short stacking energy: -239.972
Base-Backbone interact. energy: 0.385
local terms energy: -295.383229
where:
bonds (distance) C4'-P energy: -58.994
bonds (distance) P-C4' energy: -82.044
flat angles C4'-P-C4' energy: -65.906
flat angles P-C4'-P energy: -45.377
tors. eta vs tors. theta energy: -43.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 197
Temperature: 1.250000
Total energy: -752.409232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -752.409232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -752.409232 (E_RNA)
where:
Base-Base interactions energy: -448.856
where: short stacking energy: -213.552
Base-Backbone interact. energy: -2.986
local terms energy: -300.567598
where:
bonds (distance) C4'-P energy: -74.834
bonds (distance) P-C4' energy: -78.690
flat angles C4'-P-C4' energy: -64.504
flat angles P-C4'-P energy: -45.860
tors. eta vs tors. theta energy: -36.679
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: 6
=====================================
Write number: 197
Temperature: 1.300000
Total energy: -563.545984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -563.545984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -563.545984 (E_RNA)
where:
Base-Base interactions energy: -318.427
where: short stacking energy: -154.379
Base-Backbone interact. energy: 3.188
local terms energy: -248.307159
where:
bonds (distance) C4'-P energy: -71.716
bonds (distance) P-C4' energy: -64.568
flat angles C4'-P-C4' energy: -62.205
flat angles P-C4'-P energy: -38.959
tors. eta vs tors. theta energy: -10.858
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: 197
Temperature: 1.350000
Total energy: -534.161057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.161057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.161057 (E_RNA)
where:
Base-Base interactions energy: -272.220
where: short stacking energy: -149.171
Base-Backbone interact. energy: -2.038
local terms energy: -259.903357
where:
bonds (distance) C4'-P energy: -70.116
bonds (distance) P-C4' energy: -76.100
flat angles C4'-P-C4' energy: -53.333
flat angles P-C4'-P energy: -41.353
tors. eta vs tors. theta energy: -19.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 198
Temperature: 0.900000
Total energy: -1384.892582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1384.892582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1384.892582 (E_RNA)
where:
Base-Base interactions energy: -953.543
where: short stacking energy: -398.936
Base-Backbone interact. energy: -3.112
local terms energy: -428.237400
where:
bonds (distance) C4'-P energy: -78.811
bonds (distance) P-C4' energy: -77.290
flat angles C4'-P-C4' energy: -92.789
flat angles P-C4'-P energy: -65.010
tors. eta vs tors. theta energy: -114.339
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: 9
=====================================
Write number: 198
Temperature: 0.950000
Total energy: -1258.059403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1258.059403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1258.059403 (E_RNA)
where:
Base-Base interactions energy: -869.692
where: short stacking energy: -374.110
Base-Backbone interact. energy: -1.736
local terms energy: -386.632283
where:
bonds (distance) C4'-P energy: -59.695
bonds (distance) P-C4' energy: -84.061
flat angles C4'-P-C4' energy: -89.423
flat angles P-C4'-P energy: -51.855
tors. eta vs tors. theta energy: -101.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 198
Temperature: 1.000000
Total energy: -1308.575646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1308.575646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1308.575646 (E_RNA)
where:
Base-Base interactions energy: -922.326
where: short stacking energy: -398.709
Base-Backbone interact. energy: -2.450
local terms energy: -384.853195
where:
bonds (distance) C4'-P energy: -56.113
bonds (distance) P-C4' energy: -74.098
flat angles C4'-P-C4' energy: -79.884
flat angles P-C4'-P energy: -57.919
tors. eta vs tors. theta energy: -116.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.053 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 198
Temperature: 1.050000
Total energy: -1244.612953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1244.612953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1244.612953 (E_RNA)
where:
Base-Base interactions energy: -856.021
where: short stacking energy: -353.872
Base-Backbone interact. energy: 0.629
local terms energy: -389.221211
where:
bonds (distance) C4'-P energy: -69.476
bonds (distance) P-C4' energy: -66.078
flat angles C4'-P-C4' energy: -87.001
flat angles P-C4'-P energy: -62.783
tors. eta vs tors. theta energy: -103.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 198
Temperature: 1.100000
Total energy: -1097.820951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1097.820951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1097.820951 (E_RNA)
where:
Base-Base interactions energy: -722.100
where: short stacking energy: -328.329
Base-Backbone interact. energy: 0.282
local terms energy: -376.003460
where:
bonds (distance) C4'-P energy: -71.155
bonds (distance) P-C4' energy: -76.701
flat angles C4'-P-C4' energy: -79.014
flat angles P-C4'-P energy: -56.754
tors. eta vs tors. theta energy: -92.378
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: 8
=====================================
Write number: 198
Temperature: 1.150000
Total energy: -1071.745586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1071.745586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1071.745586 (E_RNA)
where:
Base-Base interactions energy: -731.575
where: short stacking energy: -307.837
Base-Backbone interact. energy: -2.226
local terms energy: -337.944376
where:
bonds (distance) C4'-P energy: -70.689
bonds (distance) P-C4' energy: -75.178
flat angles C4'-P-C4' energy: -68.931
flat angles P-C4'-P energy: -42.366
tors. eta vs tors. theta energy: -80.779
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: 4
=====================================
Write number: 198
Temperature: 1.200000
Total energy: -853.728465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -853.728465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -853.728465 (E_RNA)
where:
Base-Base interactions energy: -560.188
where: short stacking energy: -247.336
Base-Backbone interact. energy: -0.566
local terms energy: -292.974196
where:
bonds (distance) C4'-P energy: -73.351
bonds (distance) P-C4' energy: -54.547
flat angles C4'-P-C4' energy: -66.026
flat angles P-C4'-P energy: -40.128
tors. eta vs tors. theta energy: -58.922
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: 10
=====================================
Write number: 198
Temperature: 1.250000
Total energy: -797.931819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -797.931819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -797.931819 (E_RNA)
where:
Base-Base interactions energy: -511.814
where: short stacking energy: -242.396
Base-Backbone interact. energy: 4.104
local terms energy: -290.222193
where:
bonds (distance) C4'-P energy: -63.883
bonds (distance) P-C4' energy: -62.611
flat angles C4'-P-C4' energy: -71.382
flat angles P-C4'-P energy: -45.508
tors. eta vs tors. theta energy: -46.839
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: 2
=====================================
Write number: 198
Temperature: 1.300000
Total energy: -547.757974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.757974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.757974 (E_RNA)
where:
Base-Base interactions energy: -306.697
where: short stacking energy: -149.395
Base-Backbone interact. energy: -1.332
local terms energy: -239.728830
where:
bonds (distance) C4'-P energy: -71.867
bonds (distance) P-C4' energy: -71.775
flat angles C4'-P-C4' energy: -53.631
flat angles P-C4'-P energy: -30.767
tors. eta vs tors. theta energy: -11.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 198
Temperature: 1.350000
Total energy: -575.395017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -575.395017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -575.395017 (E_RNA)
where:
Base-Base interactions energy: -336.626
where: short stacking energy: -174.024
Base-Backbone interact. energy: -2.074
local terms energy: -236.695142
where:
bonds (distance) C4'-P energy: -56.684
bonds (distance) P-C4' energy: -64.882
flat angles C4'-P-C4' energy: -57.592
flat angles P-C4'-P energy: -29.965
tors. eta vs tors. theta energy: -27.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 199
Temperature: 0.900000
Total energy: -1392.255963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1392.255963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1392.255963 (E_RNA)
where:
Base-Base interactions energy: -971.689
where: short stacking energy: -405.242
Base-Backbone interact. energy: -1.987
local terms energy: -418.580088
where:
bonds (distance) C4'-P energy: -76.398
bonds (distance) P-C4' energy: -76.369
flat angles C4'-P-C4' energy: -93.846
flat angles P-C4'-P energy: -57.970
tors. eta vs tors. theta energy: -113.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 199
Temperature: 0.950000
Total energy: -1328.704775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1328.704775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1328.704775 (E_RNA)
where:
Base-Base interactions energy: -910.663
where: short stacking energy: -412.038
Base-Backbone interact. energy: -2.021
local terms energy: -416.019990
where:
bonds (distance) C4'-P energy: -69.940
bonds (distance) P-C4' energy: -79.156
flat angles C4'-P-C4' energy: -92.247
flat angles P-C4'-P energy: -58.270
tors. eta vs tors. theta energy: -116.406
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: 3, replica: 9
=====================================
Write number: 199
Temperature: 1.000000
Total energy: -1230.612160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1230.612160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1230.612160 (E_RNA)
where:
Base-Base interactions energy: -850.942
where: short stacking energy: -360.135
Base-Backbone interact. energy: -2.360
local terms energy: -377.310520
where:
bonds (distance) C4'-P energy: -77.447
bonds (distance) P-C4' energy: -76.487
flat angles C4'-P-C4' energy: -74.905
flat angles P-C4'-P energy: -52.632
tors. eta vs tors. theta energy: -95.840
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: 199
Temperature: 1.050000
Total energy: -1238.908024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1238.908024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1238.908024 (E_RNA)
where:
Base-Base interactions energy: -858.733
where: short stacking energy: -384.098
Base-Backbone interact. energy: -2.020
local terms energy: -378.155448
where:
bonds (distance) C4'-P energy: -59.652
bonds (distance) P-C4' energy: -62.042
flat angles C4'-P-C4' energy: -87.484
flat angles P-C4'-P energy: -57.165
tors. eta vs tors. theta energy: -111.812
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: 1
=====================================
Write number: 199
Temperature: 1.100000
Total energy: -1060.503300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1060.503300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1060.503300 (E_RNA)
where:
Base-Base interactions energy: -714.138
where: short stacking energy: -343.953
Base-Backbone interact. energy: -1.239
local terms energy: -345.126614
where:
bonds (distance) C4'-P energy: -62.125
bonds (distance) P-C4' energy: -65.119
flat angles C4'-P-C4' energy: -71.560
flat angles P-C4'-P energy: -57.059
tors. eta vs tors. theta energy: -89.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 199
Temperature: 1.150000
Total energy: -1049.232888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1049.232888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1049.232888 (E_RNA)
where:
Base-Base interactions energy: -712.575
where: short stacking energy: -318.248
Base-Backbone interact. energy: -0.986
local terms energy: -335.671483
where:
bonds (distance) C4'-P energy: -70.175
bonds (distance) P-C4' energy: -67.136
flat angles C4'-P-C4' energy: -77.313
flat angles P-C4'-P energy: -34.559
tors. eta vs tors. theta energy: -86.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 199
Temperature: 1.200000
Total energy: -852.097440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -852.097440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -852.097440 (E_RNA)
where:
Base-Base interactions energy: -544.770
where: short stacking energy: -243.960
Base-Backbone interact. energy: -0.618
local terms energy: -306.708965
where:
bonds (distance) C4'-P energy: -70.120
bonds (distance) P-C4' energy: -76.489
flat angles C4'-P-C4' energy: -70.331
flat angles P-C4'-P energy: -43.104
tors. eta vs tors. theta energy: -46.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 199
Temperature: 1.250000
Total energy: -774.182729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -774.182729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -774.182729 (E_RNA)
where:
Base-Base interactions energy: -501.264
where: short stacking energy: -212.763
Base-Backbone interact. energy: 0.497
local terms energy: -273.415176
where:
bonds (distance) C4'-P energy: -59.899
bonds (distance) P-C4' energy: -76.674
flat angles C4'-P-C4' energy: -66.848
flat angles P-C4'-P energy: -29.597
tors. eta vs tors. theta energy: -40.397
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: 2
=====================================
Write number: 199
Temperature: 1.300000
Total energy: -557.340344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.340344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.340344 (E_RNA)
where:
Base-Base interactions energy: -319.550
where: short stacking energy: -167.295
Base-Backbone interact. energy: -1.188
local terms energy: -236.602493
where:
bonds (distance) C4'-P energy: -56.578
bonds (distance) P-C4' energy: -67.332
flat angles C4'-P-C4' energy: -57.661
flat angles P-C4'-P energy: -41.811
tors. eta vs tors. theta energy: -13.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 199
Temperature: 1.350000
Total energy: -482.469592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.469592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.469592 (E_RNA)
where:
Base-Base interactions energy: -258.633
where: short stacking energy: -153.671
Base-Backbone interact. energy: 0.145
local terms energy: -223.982395
where:
bonds (distance) C4'-P energy: -45.892
bonds (distance) P-C4' energy: -66.639
flat angles C4'-P-C4' energy: -63.928
flat angles P-C4'-P energy: -41.855
tors. eta vs tors. theta energy: -5.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 200
Temperature: 0.900000
Total energy: -1406.730653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1406.730653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1406.730653 (E_RNA)
where:
Base-Base interactions energy: -962.654
where: short stacking energy: -421.792
Base-Backbone interact. energy: -1.502
local terms energy: -442.573942
where:
bonds (distance) C4'-P energy: -82.435
bonds (distance) P-C4' energy: -76.920
flat angles C4'-P-C4' energy: -90.958
flat angles P-C4'-P energy: -68.200
tors. eta vs tors. theta energy: -124.061
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: 5
=====================================
Write number: 200
Temperature: 0.950000
Total energy: -1311.333553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1311.333553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1311.333553 (E_RNA)
where:
Base-Base interactions energy: -884.003
where: short stacking energy: -381.802
Base-Backbone interact. energy: -1.515
local terms energy: -425.815226
where:
bonds (distance) C4'-P energy: -83.535
bonds (distance) P-C4' energy: -76.656
flat angles C4'-P-C4' energy: -84.156
flat angles P-C4'-P energy: -64.677
tors. eta vs tors. theta energy: -116.791
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: 3, replica: 3
=====================================
Write number: 200
Temperature: 1.000000
Total energy: -1259.231416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1259.231416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1259.231416 (E_RNA)
where:
Base-Base interactions energy: -873.332
where: short stacking energy: -360.097
Base-Backbone interact. energy: 1.969
local terms energy: -387.868633
where:
bonds (distance) C4'-P energy: -68.935
bonds (distance) P-C4' energy: -65.607
flat angles C4'-P-C4' energy: -84.066
flat angles P-C4'-P energy: -53.806
tors. eta vs tors. theta energy: -115.454
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: 9
=====================================
Write number: 200
Temperature: 1.050000
Total energy: -1148.192040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1148.192040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1148.192040 (E_RNA)
where:
Base-Base interactions energy: -793.886
where: short stacking energy: -315.370
Base-Backbone interact. energy: 0.394
local terms energy: -354.699526
where:
bonds (distance) C4'-P energy: -78.944
bonds (distance) P-C4' energy: -73.143
flat angles C4'-P-C4' energy: -78.661
flat angles P-C4'-P energy: -48.707
tors. eta vs tors. theta energy: -75.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 200
Temperature: 1.100000
Total energy: -1060.243856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1060.243856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1060.243856 (E_RNA)
where:
Base-Base interactions energy: -734.598
where: short stacking energy: -326.927
Base-Backbone interact. energy: 0.338
local terms energy: -325.984093
where:
bonds (distance) C4'-P energy: -62.804
bonds (distance) P-C4' energy: -60.534
flat angles C4'-P-C4' energy: -64.542
flat angles P-C4'-P energy: -51.203
tors. eta vs tors. theta energy: -86.902
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: 6, replica: 1
=====================================
Write number: 200
Temperature: 1.150000
Total energy: -977.665289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -977.665289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -977.665289 (E_RNA)
where:
Base-Base interactions energy: -651.811
where: short stacking energy: -300.190
Base-Backbone interact. energy: 1.462
local terms energy: -327.316470
where:
bonds (distance) C4'-P energy: -54.314
bonds (distance) P-C4' energy: -74.553
flat angles C4'-P-C4' energy: -81.878
flat angles P-C4'-P energy: -43.315
tors. eta vs tors. theta energy: -73.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 200
Temperature: 1.200000
Total energy: -868.104330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -868.104330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -868.104330 (E_RNA)
where:
Base-Base interactions energy: -564.372
where: short stacking energy: -226.701
Base-Backbone interact. energy: -0.518
local terms energy: -303.214503
where:
bonds (distance) C4'-P energy: -70.869
bonds (distance) P-C4' energy: -64.206
flat angles C4'-P-C4' energy: -70.285
flat angles P-C4'-P energy: -48.534
tors. eta vs tors. theta energy: -49.321
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: 8, replica: 10
=====================================
Write number: 200
Temperature: 1.250000
Total energy: -791.586303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -791.586303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -791.586303 (E_RNA)
where:
Base-Base interactions energy: -505.451
where: short stacking energy: -225.852
Base-Backbone interact. energy: 0.272
local terms energy: -286.407524
where:
bonds (distance) C4'-P energy: -54.128
bonds (distance) P-C4' energy: -86.380
flat angles C4'-P-C4' energy: -68.617
flat angles P-C4'-P energy: -37.841
tors. eta vs tors. theta energy: -39.442
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: 2
=====================================
Write number: 200
Temperature: 1.300000
Total energy: -569.729083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -569.729083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -569.729083 (E_RNA)
where:
Base-Base interactions energy: -323.581
where: short stacking energy: -166.107
Base-Backbone interact. energy: 4.876
local terms energy: -251.023909
where:
bonds (distance) C4'-P energy: -49.941
bonds (distance) P-C4' energy: -70.878
flat angles C4'-P-C4' energy: -62.499
flat angles P-C4'-P energy: -43.911
tors. eta vs tors. theta energy: -23.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 200
Temperature: 1.350000
Total energy: -503.343809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.343809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.343809 (E_RNA)
where:
Base-Base interactions energy: -266.000
where: short stacking energy: -158.260
Base-Backbone interact. energy: 1.898
local terms energy: -239.242412
where:
bonds (distance) C4'-P energy: -52.347
bonds (distance) P-C4' energy: -72.156
flat angles C4'-P-C4' energy: -66.648
flat angles P-C4'-P energy: -30.886
tors. eta vs tors. theta energy: -17.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 201
Temperature: 0.900000
Total energy: -1419.086481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1419.086481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1419.086481 (E_RNA)
where:
Base-Base interactions energy: -996.382
where: short stacking energy: -416.906
Base-Backbone interact. energy: -2.245
local terms energy: -420.459356
where:
bonds (distance) C4'-P energy: -74.296
bonds (distance) P-C4' energy: -82.715
flat angles C4'-P-C4' energy: -83.105
flat angles P-C4'-P energy: -60.948
tors. eta vs tors. theta energy: -119.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 201
Temperature: 0.950000
Total energy: -1327.259118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1327.259118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1327.259118 (E_RNA)
where:
Base-Base interactions energy: -904.396
where: short stacking energy: -401.834
Base-Backbone interact. energy: -2.722
local terms energy: -420.141199
where:
bonds (distance) C4'-P energy: -79.928
bonds (distance) P-C4' energy: -74.730
flat angles C4'-P-C4' energy: -83.330
flat angles P-C4'-P energy: -58.243
tors. eta vs tors. theta energy: -123.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 201
Temperature: 1.000000
Total energy: -1272.673067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1272.673067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1272.673067 (E_RNA)
where:
Base-Base interactions energy: -883.333
where: short stacking energy: -377.599
Base-Backbone interact. energy: -0.888
local terms energy: -388.451592
where:
bonds (distance) C4'-P energy: -69.499
bonds (distance) P-C4' energy: -74.847
flat angles C4'-P-C4' energy: -81.743
flat angles P-C4'-P energy: -57.853
tors. eta vs tors. theta energy: -104.510
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: 4, replica: 9
=====================================
Write number: 201
Temperature: 1.050000
Total energy: -1174.323245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1174.323245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1174.323245 (E_RNA)
where:
Base-Base interactions energy: -803.091
where: short stacking energy: -339.541
Base-Backbone interact. energy: 2.422
local terms energy: -373.654874
where:
bonds (distance) C4'-P energy: -76.371
bonds (distance) P-C4' energy: -76.535
flat angles C4'-P-C4' energy: -77.844
flat angles P-C4'-P energy: -50.601
tors. eta vs tors. theta energy: -92.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 201
Temperature: 1.100000
Total energy: -1093.416747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1093.416747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1093.416747 (E_RNA)
where:
Base-Base interactions energy: -729.082
where: short stacking energy: -313.822
Base-Backbone interact. energy: 2.682
local terms energy: -367.017269
where:
bonds (distance) C4'-P energy: -73.558
bonds (distance) P-C4' energy: -72.854
flat angles C4'-P-C4' energy: -72.718
flat angles P-C4'-P energy: -59.687
tors. eta vs tors. theta energy: -88.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 201
Temperature: 1.150000
Total energy: -1010.231664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1010.231664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1010.231664 (E_RNA)
where:
Base-Base interactions energy: -668.147
where: short stacking energy: -288.461
Base-Backbone interact. energy: 1.009
local terms energy: -343.092990
where:
bonds (distance) C4'-P energy: -72.255
bonds (distance) P-C4' energy: -67.544
flat angles C4'-P-C4' energy: -75.405
flat angles P-C4'-P energy: -47.632
tors. eta vs tors. theta energy: -80.256
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: 4
=====================================
Write number: 201
Temperature: 1.200000
Total energy: -864.592074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -864.592074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -864.592074 (E_RNA)
where:
Base-Base interactions energy: -557.313
where: short stacking energy: -232.888
Base-Backbone interact. energy: 0.459
local terms energy: -307.737285
where:
bonds (distance) C4'-P energy: -62.446
bonds (distance) P-C4' energy: -70.205
flat angles C4'-P-C4' energy: -70.611
flat angles P-C4'-P energy: -38.403
tors. eta vs tors. theta energy: -66.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 201
Temperature: 1.250000
Total energy: -728.828859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -728.828859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -728.828859 (E_RNA)
where:
Base-Base interactions energy: -447.300
where: short stacking energy: -205.608
Base-Backbone interact. energy: 1.647
local terms energy: -283.175698
where:
bonds (distance) C4'-P energy: -64.550
bonds (distance) P-C4' energy: -76.876
flat angles C4'-P-C4' energy: -66.227
flat angles P-C4'-P energy: -39.911
tors. eta vs tors. theta energy: -35.611
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: 2
=====================================
Write number: 201
Temperature: 1.300000
Total energy: -544.431260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.431260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.431260 (E_RNA)
where:
Base-Base interactions energy: -306.423
where: short stacking energy: -154.963
Base-Backbone interact. energy: -0.151
local terms energy: -237.857743
where:
bonds (distance) C4'-P energy: -61.669
bonds (distance) P-C4' energy: -54.520
flat angles C4'-P-C4' energy: -66.644
flat angles P-C4'-P energy: -39.755
tors. eta vs tors. theta energy: -15.270
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: 10, replica: 6
=====================================
Write number: 201
Temperature: 1.350000
Total energy: -460.819731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.819731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.819731 (E_RNA)
where:
Base-Base interactions energy: -223.913
where: short stacking energy: -128.031
Base-Backbone interact. energy: 0.936
local terms energy: -237.842260
where:
bonds (distance) C4'-P energy: -70.890
bonds (distance) P-C4' energy: -74.463
flat angles C4'-P-C4' energy: -58.123
flat angles P-C4'-P energy: -29.571
tors. eta vs tors. theta energy: -4.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 202
Temperature: 0.900000
Total energy: -1424.050418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1424.050418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1424.050418 (E_RNA)
where:
Base-Base interactions energy: -967.348
where: short stacking energy: -422.413
Base-Backbone interact. energy: -1.164
local terms energy: -455.538248
where:
bonds (distance) C4'-P energy: -87.210
bonds (distance) P-C4' energy: -87.987
flat angles C4'-P-C4' energy: -88.981
flat angles P-C4'-P energy: -71.797
tors. eta vs tors. theta energy: -119.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 202
Temperature: 0.950000
Total energy: -1328.814429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1328.814429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1328.814429 (E_RNA)
where:
Base-Base interactions energy: -911.477
where: short stacking energy: -396.379
Base-Backbone interact. energy: -3.770
local terms energy: -413.567483
where:
bonds (distance) C4'-P energy: -72.729
bonds (distance) P-C4' energy: -76.244
flat angles C4'-P-C4' energy: -91.187
flat angles P-C4'-P energy: -50.366
tors. eta vs tors. theta energy: -123.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 202
Temperature: 1.000000
Total energy: -1261.697849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1261.697849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1261.697849 (E_RNA)
where:
Base-Base interactions energy: -862.543
where: short stacking energy: -364.542
Base-Backbone interact. energy: 4.609
local terms energy: -403.763679
where:
bonds (distance) C4'-P energy: -84.020
bonds (distance) P-C4' energy: -70.907
flat angles C4'-P-C4' energy: -84.748
flat angles P-C4'-P energy: -60.784
tors. eta vs tors. theta energy: -103.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 202
Temperature: 1.050000
Total energy: -1173.945481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1173.945481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1173.945481 (E_RNA)
where:
Base-Base interactions energy: -796.654
where: short stacking energy: -323.391
Base-Backbone interact. energy: -1.501
local terms energy: -375.790819
where:
bonds (distance) C4'-P energy: -70.582
bonds (distance) P-C4' energy: -72.579
flat angles C4'-P-C4' energy: -83.494
flat angles P-C4'-P energy: -54.246
tors. eta vs tors. theta energy: -94.889
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: 5, replica: 8
=====================================
Write number: 202
Temperature: 1.100000
Total energy: -1096.890122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1096.890122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1096.890122 (E_RNA)
where:
Base-Base interactions energy: -744.258
where: short stacking energy: -322.339
Base-Backbone interact. energy: -1.923
local terms energy: -350.709100
where:
bonds (distance) C4'-P energy: -60.120
bonds (distance) P-C4' energy: -76.676
flat angles C4'-P-C4' energy: -81.610
flat angles P-C4'-P energy: -54.208
tors. eta vs tors. theta energy: -78.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 202
Temperature: 1.150000
Total energy: -1052.426261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1052.426261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1052.426261 (E_RNA)
where:
Base-Base interactions energy: -703.817
where: short stacking energy: -330.616
Base-Backbone interact. energy: -0.416
local terms energy: -348.193328
where:
bonds (distance) C4'-P energy: -71.417
bonds (distance) P-C4' energy: -59.251
flat angles C4'-P-C4' energy: -81.727
flat angles P-C4'-P energy: -39.904
tors. eta vs tors. theta energy: -95.894
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: 7, replica: 4
=====================================
Write number: 202
Temperature: 1.200000
Total energy: -853.163619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -853.163619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -853.163619 (E_RNA)
where:
Base-Base interactions energy: -544.032
where: short stacking energy: -257.673
Base-Backbone interact. energy: -1.809
local terms energy: -307.322999
where:
bonds (distance) C4'-P energy: -52.356
bonds (distance) P-C4' energy: -82.121
flat angles C4'-P-C4' energy: -70.963
flat angles P-C4'-P energy: -45.084
tors. eta vs tors. theta energy: -56.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 202
Temperature: 1.250000
Total energy: -810.651906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -810.651906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -810.651906 (E_RNA)
where:
Base-Base interactions energy: -544.222
where: short stacking energy: -251.186
Base-Backbone interact. energy: -1.674
local terms energy: -264.755861
where:
bonds (distance) C4'-P energy: -59.060
bonds (distance) P-C4' energy: -68.137
flat angles C4'-P-C4' energy: -64.444
flat angles P-C4'-P energy: -30.338
tors. eta vs tors. theta energy: -42.777
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: 9, replica: 2
=====================================
Write number: 202
Temperature: 1.300000
Total energy: -538.671943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.671943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.671943 (E_RNA)
where:
Base-Base interactions energy: -282.021
where: short stacking energy: -142.435
Base-Backbone interact. energy: -1.275
local terms energy: -255.375493
where:
bonds (distance) C4'-P energy: -63.480
bonds (distance) P-C4' energy: -78.157
flat angles C4'-P-C4' energy: -61.085
flat angles P-C4'-P energy: -36.360
tors. eta vs tors. theta energy: -16.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 202
Temperature: 1.350000
Total energy: -473.620342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.620342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.620342 (E_RNA)
where:
Base-Base interactions energy: -252.933
where: short stacking energy: -133.321
Base-Backbone interact. energy: -1.385
local terms energy: -219.301995
where:
bonds (distance) C4'-P energy: -55.404
bonds (distance) P-C4' energy: -64.807
flat angles C4'-P-C4' energy: -62.586
flat angles P-C4'-P energy: -31.804
tors. eta vs tors. theta energy: -4.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 203
Temperature: 0.900000
Total energy: -1419.726688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1419.726688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1419.726688 (E_RNA)
where:
Base-Base interactions energy: -992.774
where: short stacking energy: -412.271
Base-Backbone interact. energy: -1.013
local terms energy: -425.939435
where:
bonds (distance) C4'-P energy: -79.015
bonds (distance) P-C4' energy: -83.356
flat angles C4'-P-C4' energy: -87.197
flat angles P-C4'-P energy: -63.861
tors. eta vs tors. theta energy: -112.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 203
Temperature: 0.950000
Total energy: -1330.114054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1330.114054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1330.114054 (E_RNA)
where:
Base-Base interactions energy: -918.934
where: short stacking energy: -392.766
Base-Backbone interact. energy: -4.125
local terms energy: -407.055506
where:
bonds (distance) C4'-P energy: -68.159
bonds (distance) P-C4' energy: -89.490
flat angles C4'-P-C4' energy: -78.961
flat angles P-C4'-P energy: -57.191
tors. eta vs tors. theta energy: -113.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 203
Temperature: 1.000000
Total energy: -1271.557729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1271.557729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1271.557729 (E_RNA)
where:
Base-Base interactions energy: -872.671
where: short stacking energy: -388.883
Base-Backbone interact. energy: -0.912
local terms energy: -397.974880
where:
bonds (distance) C4'-P energy: -71.817
bonds (distance) P-C4' energy: -83.998
flat angles C4'-P-C4' energy: -82.284
flat angles P-C4'-P energy: -51.473
tors. eta vs tors. theta energy: -108.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 203
Temperature: 1.050000
Total energy: -1186.073149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1186.073149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1186.073149 (E_RNA)
where:
Base-Base interactions energy: -831.733
where: short stacking energy: -333.955
Base-Backbone interact. energy: -0.406
local terms energy: -353.933693
where:
bonds (distance) C4'-P energy: -66.852
bonds (distance) P-C4' energy: -59.136
flat angles C4'-P-C4' energy: -83.904
flat angles P-C4'-P energy: -64.853
tors. eta vs tors. theta energy: -79.189
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: 8
=====================================
Write number: 203
Temperature: 1.100000
Total energy: -1096.144498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1096.144498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1096.144498 (E_RNA)
where:
Base-Base interactions energy: -753.796
where: short stacking energy: -337.008
Base-Backbone interact. energy: -1.395
local terms energy: -340.953678
where:
bonds (distance) C4'-P energy: -51.297
bonds (distance) P-C4' energy: -77.308
flat angles C4'-P-C4' energy: -72.626
flat angles P-C4'-P energy: -54.414
tors. eta vs tors. theta energy: -85.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 203
Temperature: 1.150000
Total energy: -982.788382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -982.788382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -982.788382 (E_RNA)
where:
Base-Base interactions energy: -631.976
where: short stacking energy: -270.738
Base-Backbone interact. energy: -0.432
local terms energy: -350.380369
where:
bonds (distance) C4'-P energy: -73.387
bonds (distance) P-C4' energy: -82.932
flat angles C4'-P-C4' energy: -72.764
flat angles P-C4'-P energy: -32.749
tors. eta vs tors. theta energy: -88.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 203
Temperature: 1.200000
Total energy: -871.075603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -871.075603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -871.075603 (E_RNA)
where:
Base-Base interactions energy: -574.998
where: short stacking energy: -265.157
Base-Backbone interact. energy: -2.824
local terms energy: -293.253609
where:
bonds (distance) C4'-P energy: -62.295
bonds (distance) P-C4' energy: -71.368
flat angles C4'-P-C4' energy: -65.517
flat angles P-C4'-P energy: -43.733
tors. eta vs tors. theta energy: -50.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 203
Temperature: 1.250000
Total energy: -780.461839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -780.461839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -780.461839 (E_RNA)
where:
Base-Base interactions energy: -531.237
where: short stacking energy: -234.623
Base-Backbone interact. energy: 4.733
local terms energy: -253.958506
where:
bonds (distance) C4'-P energy: -46.051
bonds (distance) P-C4' energy: -75.463
flat angles C4'-P-C4' energy: -63.301
flat angles P-C4'-P energy: -31.987
tors. eta vs tors. theta energy: -37.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 203
Temperature: 1.300000
Total energy: -549.004818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.004818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.004818 (E_RNA)
where:
Base-Base interactions energy: -311.239
where: short stacking energy: -169.279
Base-Backbone interact. energy: 4.604
local terms energy: -242.369422
where:
bonds (distance) C4'-P energy: -65.587
bonds (distance) P-C4' energy: -65.076
flat angles C4'-P-C4' energy: -69.669
flat angles P-C4'-P energy: -27.753
tors. eta vs tors. theta energy: -14.284
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: 10, replica: 6
=====================================
Write number: 203
Temperature: 1.350000
Total energy: -456.030140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.030140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.030140 (E_RNA)
where:
Base-Base interactions energy: -224.993
where: short stacking energy: -119.544
Base-Backbone interact. energy: 0.132
local terms energy: -231.169073
where:
bonds (distance) C4'-P energy: -57.567
bonds (distance) P-C4' energy: -61.483
flat angles C4'-P-C4' energy: -63.639
flat angles P-C4'-P energy: -40.444
tors. eta vs tors. theta energy: -8.036
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: 7
=====================================
Write number: 204
Temperature: 0.900000
Total energy: -1413.969071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1413.969071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1413.969071 (E_RNA)
where:
Base-Base interactions energy: -988.442
where: short stacking energy: -422.798
Base-Backbone interact. energy: -2.318
local terms energy: -423.209132
where:
bonds (distance) C4'-P energy: -77.825
bonds (distance) P-C4' energy: -79.948
flat angles C4'-P-C4' energy: -89.130
flat angles P-C4'-P energy: -56.414
tors. eta vs tors. theta energy: -119.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 204
Temperature: 0.950000
Total energy: -1305.879062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1305.879062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1305.879062 (E_RNA)
where:
Base-Base interactions energy: -883.813
where: short stacking energy: -379.938
Base-Backbone interact. energy: -1.611
local terms energy: -420.455188
where:
bonds (distance) C4'-P energy: -76.404
bonds (distance) P-C4' energy: -74.160
flat angles C4'-P-C4' energy: -82.887
flat angles P-C4'-P energy: -68.796
tors. eta vs tors. theta energy: -118.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 204
Temperature: 1.000000
Total energy: -1270.189018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1270.189018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1270.189018 (E_RNA)
where:
Base-Base interactions energy: -871.339
where: short stacking energy: -372.604
Base-Backbone interact. energy: 0.582
local terms energy: -399.431368
where:
bonds (distance) C4'-P energy: -75.599
bonds (distance) P-C4' energy: -81.237
flat angles C4'-P-C4' energy: -75.727
flat angles P-C4'-P energy: -57.193
tors. eta vs tors. theta energy: -109.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 204
Temperature: 1.050000
Total energy: -1188.460765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1188.460765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1188.460765 (E_RNA)
where:
Base-Base interactions energy: -815.651
where: short stacking energy: -326.675
Base-Backbone interact. energy: 1.301
local terms energy: -374.111455
where:
bonds (distance) C4'-P energy: -72.798
bonds (distance) P-C4' energy: -67.909
flat angles C4'-P-C4' energy: -87.829
flat angles P-C4'-P energy: -50.765
tors. eta vs tors. theta energy: -94.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 204
Temperature: 1.100000
Total energy: -1104.606734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1104.606734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1104.606734 (E_RNA)
where:
Base-Base interactions energy: -768.858
where: short stacking energy: -337.888
Base-Backbone interact. energy: -0.852
local terms energy: -334.896804
where:
bonds (distance) C4'-P energy: -57.069
bonds (distance) P-C4' energy: -61.608
flat angles C4'-P-C4' energy: -80.633
flat angles P-C4'-P energy: -47.926
tors. eta vs tors. theta energy: -87.660
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: 1
=====================================
Write number: 204
Temperature: 1.150000
Total energy: -995.517446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -995.517446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -995.517446 (E_RNA)
where:
Base-Base interactions energy: -636.700
where: short stacking energy: -298.104
Base-Backbone interact. energy: -0.687
local terms energy: -358.130035
where:
bonds (distance) C4'-P energy: -77.772
bonds (distance) P-C4' energy: -67.850
flat angles C4'-P-C4' energy: -84.348
flat angles P-C4'-P energy: -52.394
tors. eta vs tors. theta energy: -75.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 204
Temperature: 1.200000
Total energy: -878.649675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -878.649675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -878.649675 (E_RNA)
where:
Base-Base interactions energy: -579.756
where: short stacking energy: -255.229
Base-Backbone interact. energy: -0.669
local terms energy: -298.225294
where:
bonds (distance) C4'-P energy: -55.527
bonds (distance) P-C4' energy: -67.407
flat angles C4'-P-C4' energy: -72.582
flat angles P-C4'-P energy: -44.941
tors. eta vs tors. theta energy: -57.768
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: 10
=====================================
Write number: 204
Temperature: 1.250000
Total energy: -759.823595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -759.823595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -759.823595 (E_RNA)
where:
Base-Base interactions energy: -498.322
where: short stacking energy: -235.794
Base-Backbone interact. energy: -1.468
local terms energy: -260.033454
where:
bonds (distance) C4'-P energy: -58.668
bonds (distance) P-C4' energy: -53.591
flat angles C4'-P-C4' energy: -58.620
flat angles P-C4'-P energy: -35.031
tors. eta vs tors. theta energy: -54.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 204
Temperature: 1.300000
Total energy: -560.511545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.511545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.511545 (E_RNA)
where:
Base-Base interactions energy: -321.768
where: short stacking energy: -171.364
Base-Backbone interact. energy: 0.836
local terms energy: -239.579923
where:
bonds (distance) C4'-P energy: -57.175
bonds (distance) P-C4' energy: -64.654
flat angles C4'-P-C4' energy: -54.443
flat angles P-C4'-P energy: -31.563
tors. eta vs tors. theta energy: -31.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 204
Temperature: 1.350000
Total energy: -456.592048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.592048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.592048 (E_RNA)
where:
Base-Base interactions energy: -214.213
where: short stacking energy: -111.647
Base-Backbone interact. energy: -2.455
local terms energy: -239.924006
where:
bonds (distance) C4'-P energy: -68.022
bonds (distance) P-C4' energy: -65.520
flat angles C4'-P-C4' energy: -57.225
flat angles P-C4'-P energy: -37.452
tors. eta vs tors. theta energy: -11.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 205
Temperature: 0.900000
Total energy: -1420.195613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1420.195613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1420.195613 (E_RNA)
where:
Base-Base interactions energy: -993.589
where: short stacking energy: -431.996
Base-Backbone interact. energy: -2.387
local terms energy: -424.220376
where:
bonds (distance) C4'-P energy: -79.492
bonds (distance) P-C4' energy: -74.125
flat angles C4'-P-C4' energy: -82.031
flat angles P-C4'-P energy: -64.855
tors. eta vs tors. theta energy: -123.717
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: 3
=====================================
Write number: 205
Temperature: 0.950000
Total energy: -1307.094500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1307.094500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1307.094500 (E_RNA)
where:
Base-Base interactions energy: -899.932
where: short stacking energy: -399.655
Base-Backbone interact. energy: 0.706
local terms energy: -407.868840
where:
bonds (distance) C4'-P energy: -73.484
bonds (distance) P-C4' energy: -77.146
flat angles C4'-P-C4' energy: -84.621
flat angles P-C4'-P energy: -54.746
tors. eta vs tors. theta energy: -117.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 205
Temperature: 1.000000
Total energy: -1285.704140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1285.704140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1285.704140 (E_RNA)
where:
Base-Base interactions energy: -888.846
where: short stacking energy: -373.545
Base-Backbone interact. energy: -1.277
local terms energy: -395.581464
where:
bonds (distance) C4'-P energy: -66.183
bonds (distance) P-C4' energy: -79.690
flat angles C4'-P-C4' energy: -91.345
flat angles P-C4'-P energy: -47.635
tors. eta vs tors. theta energy: -110.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 205
Temperature: 1.050000
Total energy: -1196.981477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1196.981477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1196.981477 (E_RNA)
where:
Base-Base interactions energy: -817.761
where: short stacking energy: -348.825
Base-Backbone interact. energy: -0.735
local terms energy: -378.485179
where:
bonds (distance) C4'-P energy: -68.871
bonds (distance) P-C4' energy: -67.739
flat angles C4'-P-C4' energy: -85.821
flat angles P-C4'-P energy: -56.132
tors. eta vs tors. theta energy: -99.923
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: 8
=====================================
Write number: 205
Temperature: 1.100000
Total energy: -1162.323267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1162.323267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1162.323267 (E_RNA)
where:
Base-Base interactions energy: -795.199
where: short stacking energy: -339.945
Base-Backbone interact. energy: -1.397
local terms energy: -365.727346
where:
bonds (distance) C4'-P energy: -68.234
bonds (distance) P-C4' energy: -77.986
flat angles C4'-P-C4' energy: -89.389
flat angles P-C4'-P energy: -48.258
tors. eta vs tors. theta energy: -81.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 205
Temperature: 1.150000
Total energy: -952.185945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -952.185945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -952.185945 (E_RNA)
where:
Base-Base interactions energy: -635.651
where: short stacking energy: -292.503
Base-Backbone interact. energy: -0.859
local terms energy: -315.676001
where:
bonds (distance) C4'-P energy: -63.742
bonds (distance) P-C4' energy: -68.890
flat angles C4'-P-C4' energy: -66.908
flat angles P-C4'-P energy: -46.184
tors. eta vs tors. theta energy: -69.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 205
Temperature: 1.200000
Total energy: -878.677041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -878.677041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -878.677041 (E_RNA)
where:
Base-Base interactions energy: -585.568
where: short stacking energy: -262.229
Base-Backbone interact. energy: -2.452
local terms energy: -290.656876
where:
bonds (distance) C4'-P energy: -56.954
bonds (distance) P-C4' energy: -75.401
flat angles C4'-P-C4' energy: -66.721
flat angles P-C4'-P energy: -39.306
tors. eta vs tors. theta energy: -52.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 205
Temperature: 1.250000
Total energy: -727.864650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -727.864650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -727.864650 (E_RNA)
where:
Base-Base interactions energy: -462.731
where: short stacking energy: -224.117
Base-Backbone interact. energy: 3.333
local terms energy: -268.466655
where:
bonds (distance) C4'-P energy: -51.975
bonds (distance) P-C4' energy: -63.440
flat angles C4'-P-C4' energy: -73.862
flat angles P-C4'-P energy: -35.076
tors. eta vs tors. theta energy: -44.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 205
Temperature: 1.300000
Total energy: -588.735856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -588.735856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -588.735856 (E_RNA)
where:
Base-Base interactions energy: -308.487
where: short stacking energy: -159.496
Base-Backbone interact. energy: -0.235
local terms energy: -280.013270
where:
bonds (distance) C4'-P energy: -70.545
bonds (distance) P-C4' energy: -78.654
flat angles C4'-P-C4' energy: -65.629
flat angles P-C4'-P energy: -37.949
tors. eta vs tors. theta energy: -27.237
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: 6
=====================================
Write number: 205
Temperature: 1.350000
Total energy: -482.224552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.224552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.224552 (E_RNA)
where:
Base-Base interactions energy: -276.213
where: short stacking energy: -151.354
Base-Backbone interact. energy: -4.801
local terms energy: -201.210197
where:
bonds (distance) C4'-P energy: -46.205
bonds (distance) P-C4' energy: -65.933
flat angles C4'-P-C4' energy: -50.713
flat angles P-C4'-P energy: -32.313
tors. eta vs tors. theta energy: -6.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 206
Temperature: 0.900000
Total energy: -1412.099072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1412.099072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1412.099072 (E_RNA)
where:
Base-Base interactions energy: -971.093
where: short stacking energy: -407.539
Base-Backbone interact. energy: -2.252
local terms energy: -438.754659
where:
bonds (distance) C4'-P energy: -83.957
bonds (distance) P-C4' energy: -81.397
flat angles C4'-P-C4' energy: -90.648
flat angles P-C4'-P energy: -58.433
tors. eta vs tors. theta energy: -124.320
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: 3
=====================================
Write number: 206
Temperature: 0.950000
Total energy: -1280.482187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1280.482187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1280.482187 (E_RNA)
where:
Base-Base interactions energy: -886.908
where: short stacking energy: -385.607
Base-Backbone interact. energy: 1.630
local terms energy: -395.203644
where:
bonds (distance) C4'-P energy: -76.098
bonds (distance) P-C4' energy: -60.553
flat angles C4'-P-C4' energy: -85.105
flat angles P-C4'-P energy: -53.001
tors. eta vs tors. theta energy: -120.447
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: 3, replica: 5
=====================================
Write number: 206
Temperature: 1.000000
Total energy: -1329.442259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1329.442259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1329.442259 (E_RNA)
where:
Base-Base interactions energy: -919.207
where: short stacking energy: -396.875
Base-Backbone interact. energy: -2.505
local terms energy: -407.729551
where:
bonds (distance) C4'-P energy: -69.590
bonds (distance) P-C4' energy: -78.458
flat angles C4'-P-C4' energy: -82.608
flat angles P-C4'-P energy: -60.597
tors. eta vs tors. theta energy: -116.476
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: 4, replica: 9
=====================================
Write number: 206
Temperature: 1.050000
Total energy: -1149.592389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1149.592389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1149.592389 (E_RNA)
where:
Base-Base interactions energy: -803.236
where: short stacking energy: -347.326
Base-Backbone interact. energy: -1.556
local terms energy: -344.799563
where:
bonds (distance) C4'-P energy: -56.596
bonds (distance) P-C4' energy: -62.184
flat angles C4'-P-C4' energy: -86.666
flat angles P-C4'-P energy: -53.279
tors. eta vs tors. theta energy: -86.075
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: 8
=====================================
Write number: 206
Temperature: 1.100000
Total energy: -1082.910311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1082.910311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1082.910311 (E_RNA)
where:
Base-Base interactions energy: -731.208
where: short stacking energy: -320.504
Base-Backbone interact. energy: -0.685
local terms energy: -351.017071
where:
bonds (distance) C4'-P energy: -67.363
bonds (distance) P-C4' energy: -68.004
flat angles C4'-P-C4' energy: -75.987
flat angles P-C4'-P energy: -50.065
tors. eta vs tors. theta energy: -89.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 206
Temperature: 1.150000
Total energy: -983.257340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -983.257340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -983.257340 (E_RNA)
where:
Base-Base interactions energy: -653.070
where: short stacking energy: -314.021
Base-Backbone interact. energy: -2.012
local terms energy: -328.175277
where:
bonds (distance) C4'-P energy: -54.788
bonds (distance) P-C4' energy: -68.976
flat angles C4'-P-C4' energy: -74.966
flat angles P-C4'-P energy: -45.983
tors. eta vs tors. theta energy: -83.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 206
Temperature: 1.200000
Total energy: -910.850011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -910.850011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -910.850011 (E_RNA)
where:
Base-Base interactions energy: -605.885
where: short stacking energy: -270.025
Base-Backbone interact. energy: 0.286
local terms energy: -305.251592
where:
bonds (distance) C4'-P energy: -72.903
bonds (distance) P-C4' energy: -60.701
flat angles C4'-P-C4' energy: -65.224
flat angles P-C4'-P energy: -42.963
tors. eta vs tors. theta energy: -63.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 206
Temperature: 1.250000
Total energy: -770.757516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -770.757516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -770.757516 (E_RNA)
where:
Base-Base interactions energy: -494.958
where: short stacking energy: -208.550
Base-Backbone interact. energy: 0.777
local terms energy: -276.575997
where:
bonds (distance) C4'-P energy: -56.865
bonds (distance) P-C4' energy: -66.694
flat angles C4'-P-C4' energy: -69.955
flat angles P-C4'-P energy: -45.790
tors. eta vs tors. theta energy: -37.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 206
Temperature: 1.300000
Total energy: -575.438903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -575.438903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -575.438903 (E_RNA)
where:
Base-Base interactions energy: -315.901
where: short stacking energy: -159.465
Base-Backbone interact. energy: -1.707
local terms energy: -257.831267
where:
bonds (distance) C4'-P energy: -54.931
bonds (distance) P-C4' energy: -62.948
flat angles C4'-P-C4' energy: -61.075
flat angles P-C4'-P energy: -45.775
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: 6
=====================================
Write number: 206
Temperature: 1.350000
Total energy: -441.885743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.885743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -441.885743 (E_RNA)
where:
Base-Base interactions energy: -216.067
where: short stacking energy: -130.783
Base-Backbone interact. energy: -2.701
local terms energy: -223.117741
where:
bonds (distance) C4'-P energy: -60.104
bonds (distance) P-C4' energy: -63.564
flat angles C4'-P-C4' energy: -58.247
flat angles P-C4'-P energy: -42.546
tors. eta vs tors. theta energy: 1.343
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: 7
=====================================
Write number: 207
Temperature: 0.900000
Total energy: -1403.450539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1403.450539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1403.450539 (E_RNA)
where:
Base-Base interactions energy: -981.812
where: short stacking energy: -418.989
Base-Backbone interact. energy: -1.713
local terms energy: -419.926126
where:
bonds (distance) C4'-P energy: -70.471
bonds (distance) P-C4' energy: -72.524
flat angles C4'-P-C4' energy: -88.900
flat angles P-C4'-P energy: -64.464
tors. eta vs tors. theta energy: -123.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 207
Temperature: 0.950000
Total energy: -1342.787652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1342.787652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1342.787652 (E_RNA)
where:
Base-Base interactions energy: -933.975
where: short stacking energy: -387.052
Base-Backbone interact. energy: -1.905
local terms energy: -406.907937
where:
bonds (distance) C4'-P energy: -70.764
bonds (distance) P-C4' energy: -89.838
flat angles C4'-P-C4' energy: -78.207
flat angles P-C4'-P energy: -54.806
tors. eta vs tors. theta energy: -113.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 207
Temperature: 1.000000
Total energy: -1298.306820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1298.306820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1298.306820 (E_RNA)
where:
Base-Base interactions energy: -891.248
where: short stacking energy: -383.558
Base-Backbone interact. energy: 5.486
local terms energy: -412.544763
where:
bonds (distance) C4'-P energy: -76.830
bonds (distance) P-C4' energy: -80.615
flat angles C4'-P-C4' energy: -91.796
flat angles P-C4'-P energy: -52.562
tors. eta vs tors. theta energy: -110.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 207
Temperature: 1.050000
Total energy: -1162.481226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1162.481226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1162.481226 (E_RNA)
where:
Base-Base interactions energy: -807.197
where: short stacking energy: -336.567
Base-Backbone interact. energy: 1.204
local terms energy: -356.487843
where:
bonds (distance) C4'-P energy: -67.262
bonds (distance) P-C4' energy: -74.754
flat angles C4'-P-C4' energy: -74.819
flat angles P-C4'-P energy: -54.153
tors. eta vs tors. theta energy: -85.500
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: 8
=====================================
Write number: 207
Temperature: 1.100000
Total energy: -1148.844298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1148.844298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1148.844298 (E_RNA)
where:
Base-Base interactions energy: -775.408
where: short stacking energy: -326.370
Base-Backbone interact. energy: -4.243
local terms energy: -369.192909
where:
bonds (distance) C4'-P energy: -67.362
bonds (distance) P-C4' energy: -79.257
flat angles C4'-P-C4' energy: -78.991
flat angles P-C4'-P energy: -52.054
tors. eta vs tors. theta energy: -91.530
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: 6, replica: 1
=====================================
Write number: 207
Temperature: 1.150000
Total energy: -992.192617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -992.192617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -992.192617 (E_RNA)
where:
Base-Base interactions energy: -639.069
where: short stacking energy: -279.522
Base-Backbone interact. energy: 0.802
local terms energy: -353.925309
where:
bonds (distance) C4'-P energy: -62.418
bonds (distance) P-C4' energy: -68.462
flat angles C4'-P-C4' energy: -75.622
flat angles P-C4'-P energy: -64.640
tors. eta vs tors. theta energy: -82.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 207
Temperature: 1.200000
Total energy: -846.617970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -846.617970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -846.617970 (E_RNA)
where:
Base-Base interactions energy: -550.830
where: short stacking energy: -245.437
Base-Backbone interact. energy: 1.244
local terms energy: -297.032091
where:
bonds (distance) C4'-P energy: -75.865
bonds (distance) P-C4' energy: -67.856
flat angles C4'-P-C4' energy: -61.876
flat angles P-C4'-P energy: -43.560
tors. eta vs tors. theta energy: -47.876
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: 8, replica: 10
=====================================
Write number: 207
Temperature: 1.250000
Total energy: -721.316665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -721.316665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -721.316665 (E_RNA)
where:
Base-Base interactions energy: -460.285
where: short stacking energy: -194.674
Base-Backbone interact. energy: -0.374
local terms energy: -260.657587
where:
bonds (distance) C4'-P energy: -64.697
bonds (distance) P-C4' energy: -49.956
flat angles C4'-P-C4' energy: -75.371
flat angles P-C4'-P energy: -40.561
tors. eta vs tors. theta energy: -30.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 207
Temperature: 1.300000
Total energy: -579.161379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -579.161379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -579.161379 (E_RNA)
where:
Base-Base interactions energy: -329.412
where: short stacking energy: -177.749
Base-Backbone interact. energy: -1.321
local terms energy: -248.429003
where:
bonds (distance) C4'-P energy: -65.895
bonds (distance) P-C4' energy: -59.155
flat angles C4'-P-C4' energy: -72.309
flat angles P-C4'-P energy: -26.553
tors. eta vs tors. theta energy: -24.518
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: 10, replica: 6
=====================================
Write number: 207
Temperature: 1.350000
Total energy: -481.874622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.874622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.874622 (E_RNA)
where:
Base-Base interactions energy: -282.703
where: short stacking energy: -143.845
Base-Backbone interact. energy: -0.677
local terms energy: -198.495486
where:
bonds (distance) C4'-P energy: -31.229
bonds (distance) P-C4' energy: -72.275
flat angles C4'-P-C4' energy: -60.460
flat angles P-C4'-P energy: -26.459
tors. eta vs tors. theta energy: -8.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 208
Temperature: 0.900000
Total energy: -1412.149296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1412.149296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1412.149296 (E_RNA)
where:
Base-Base interactions energy: -985.361
where: short stacking energy: -421.529
Base-Backbone interact. energy: -0.746
local terms energy: -426.042514
where:
bonds (distance) C4'-P energy: -79.112
bonds (distance) P-C4' energy: -77.825
flat angles C4'-P-C4' energy: -91.831
flat angles P-C4'-P energy: -63.144
tors. eta vs tors. theta energy: -114.130
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: 5
=====================================
Write number: 208
Temperature: 0.950000
Total energy: -1351.700754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1351.700754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1351.700754 (E_RNA)
where:
Base-Base interactions energy: -935.339
where: short stacking energy: -401.284
Base-Backbone interact. energy: -2.987
local terms energy: -413.374927
where:
bonds (distance) C4'-P energy: -68.538
bonds (distance) P-C4' energy: -70.935
flat angles C4'-P-C4' energy: -89.383
flat angles P-C4'-P energy: -59.955
tors. eta vs tors. theta energy: -124.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 208
Temperature: 1.000000
Total energy: -1282.801932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1282.801932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1282.801932 (E_RNA)
where:
Base-Base interactions energy: -877.086
where: short stacking energy: -377.907
Base-Backbone interact. energy: -0.759
local terms energy: -404.956608
where:
bonds (distance) C4'-P energy: -84.282
bonds (distance) P-C4' energy: -67.123
flat angles C4'-P-C4' energy: -83.433
flat angles P-C4'-P energy: -56.542
tors. eta vs tors. theta energy: -113.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 208
Temperature: 1.050000
Total energy: -1182.331346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1182.331346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1182.331346 (E_RNA)
where:
Base-Base interactions energy: -814.378
where: short stacking energy: -345.546
Base-Backbone interact. energy: 1.649
local terms energy: -369.602249
where:
bonds (distance) C4'-P energy: -60.445
bonds (distance) P-C4' energy: -72.854
flat angles C4'-P-C4' energy: -87.695
flat angles P-C4'-P energy: -57.300
tors. eta vs tors. theta energy: -91.308
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: 8
=====================================
Write number: 208
Temperature: 1.100000
Total energy: -1087.952144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1087.952144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1087.952144 (E_RNA)
where:
Base-Base interactions energy: -734.072
where: short stacking energy: -298.627
Base-Backbone interact. energy: -1.202
local terms energy: -352.677720
where:
bonds (distance) C4'-P energy: -63.480
bonds (distance) P-C4' energy: -72.854
flat angles C4'-P-C4' energy: -76.758
flat angles P-C4'-P energy: -62.843
tors. eta vs tors. theta energy: -76.743
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: 1
=====================================
Write number: 208
Temperature: 1.150000
Total energy: -923.661040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -923.661040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -923.661040 (E_RNA)
where:
Base-Base interactions energy: -629.860
where: short stacking energy: -290.132
Base-Backbone interact. energy: -1.711
local terms energy: -292.090283
where:
bonds (distance) C4'-P energy: -58.965
bonds (distance) P-C4' energy: -55.629
flat angles C4'-P-C4' energy: -68.995
flat angles P-C4'-P energy: -40.709
tors. eta vs tors. theta energy: -67.791
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: 7, replica: 4
=====================================
Write number: 208
Temperature: 1.200000
Total energy: -864.100016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -864.100016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -864.100016 (E_RNA)
where:
Base-Base interactions energy: -550.963
where: short stacking energy: -277.211
Base-Backbone interact. energy: 0.008
local terms energy: -313.145364
where:
bonds (distance) C4'-P energy: -73.902
bonds (distance) P-C4' energy: -68.007
flat angles C4'-P-C4' energy: -70.143
flat angles P-C4'-P energy: -36.785
tors. eta vs tors. theta energy: -64.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 208
Temperature: 1.250000
Total energy: -781.946580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -781.946580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -781.946580 (E_RNA)
where:
Base-Base interactions energy: -501.125
where: short stacking energy: -238.582
Base-Backbone interact. energy: -1.005
local terms energy: -279.815901
where:
bonds (distance) C4'-P energy: -56.712
bonds (distance) P-C4' energy: -75.105
flat angles C4'-P-C4' energy: -73.742
flat angles P-C4'-P energy: -26.085
tors. eta vs tors. theta energy: -48.172
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: 9, replica: 2
=====================================
Write number: 208
Temperature: 1.300000
Total energy: -578.026339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -578.026339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -578.026339 (E_RNA)
where:
Base-Base interactions energy: -313.488
where: short stacking energy: -171.044
Base-Backbone interact. energy: 3.802
local terms energy: -268.340279
where:
bonds (distance) C4'-P energy: -64.670
bonds (distance) P-C4' energy: -79.488
flat angles C4'-P-C4' energy: -63.461
flat angles P-C4'-P energy: -34.965
tors. eta vs tors. theta energy: -25.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 208
Temperature: 1.350000
Total energy: -473.070503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.070503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.070503 (E_RNA)
where:
Base-Base interactions energy: -252.903
where: short stacking energy: -149.023
Base-Backbone interact. energy: -0.730
local terms energy: -219.438120
where:
bonds (distance) C4'-P energy: -52.823
bonds (distance) P-C4' energy: -75.761
flat angles C4'-P-C4' energy: -48.591
flat angles P-C4'-P energy: -32.758
tors. eta vs tors. theta energy: -9.504
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: 7
=====================================
Write number: 209
Temperature: 0.900000
Total energy: -1411.520665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1411.520665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1411.520665 (E_RNA)
where:
Base-Base interactions energy: -989.066
where: short stacking energy: -408.421
Base-Backbone interact. energy: -3.887
local terms energy: -418.629260
where:
bonds (distance) C4'-P energy: -72.017
bonds (distance) P-C4' energy: -87.419
flat angles C4'-P-C4' energy: -83.989
flat angles P-C4'-P energy: -56.928
tors. eta vs tors. theta energy: -118.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.062 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 209
Temperature: 0.950000
Total energy: -1312.574852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1312.574852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1312.574852 (E_RNA)
where:
Base-Base interactions energy: -888.252
where: short stacking energy: -392.495
Base-Backbone interact. energy: -0.843
local terms energy: -423.479889
where:
bonds (distance) C4'-P energy: -83.116
bonds (distance) P-C4' energy: -80.879
flat angles C4'-P-C4' energy: -85.895
flat angles P-C4'-P energy: -54.535
tors. eta vs tors. theta energy: -119.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 209
Temperature: 1.000000
Total energy: -1309.590337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1309.590337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1309.590337 (E_RNA)
where:
Base-Base interactions energy: -892.448
where: short stacking energy: -362.150
Base-Backbone interact. energy: 0.003
local terms energy: -417.145404
where:
bonds (distance) C4'-P energy: -70.691
bonds (distance) P-C4' energy: -86.576
flat angles C4'-P-C4' energy: -87.460
flat angles P-C4'-P energy: -60.549
tors. eta vs tors. theta energy: -111.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 209
Temperature: 1.050000
Total energy: -1208.191450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1208.191450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1208.191450 (E_RNA)
where:
Base-Base interactions energy: -836.423
where: short stacking energy: -352.501
Base-Backbone interact. energy: -1.300
local terms energy: -370.467846
where:
bonds (distance) C4'-P energy: -66.790
bonds (distance) P-C4' energy: -81.249
flat angles C4'-P-C4' energy: -80.679
flat angles P-C4'-P energy: -50.801
tors. eta vs tors. theta energy: -90.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 209
Temperature: 1.100000
Total energy: -1110.230903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1110.230903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1110.230903 (E_RNA)
where:
Base-Base interactions energy: -746.605
where: short stacking energy: -332.993
Base-Backbone interact. energy: -3.369
local terms energy: -360.257860
where:
bonds (distance) C4'-P energy: -62.072
bonds (distance) P-C4' energy: -72.182
flat angles C4'-P-C4' energy: -85.294
flat angles P-C4'-P energy: -48.043
tors. eta vs tors. theta energy: -92.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 209
Temperature: 1.150000
Total energy: -907.838505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -907.838505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -907.838505 (E_RNA)
where:
Base-Base interactions energy: -574.299
where: short stacking energy: -278.176
Base-Backbone interact. energy: 0.621
local terms energy: -334.160284
where:
bonds (distance) C4'-P energy: -71.061
bonds (distance) P-C4' energy: -67.481
flat angles C4'-P-C4' energy: -72.252
flat angles P-C4'-P energy: -49.794
tors. eta vs tors. theta energy: -73.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 209
Temperature: 1.200000
Total energy: -888.497589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -888.497589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -888.497589 (E_RNA)
where:
Base-Base interactions energy: -566.706
where: short stacking energy: -269.409
Base-Backbone interact. energy: -0.714
local terms energy: -321.077236
where:
bonds (distance) C4'-P energy: -65.618
bonds (distance) P-C4' energy: -70.500
flat angles C4'-P-C4' energy: -77.062
flat angles P-C4'-P energy: -37.489
tors. eta vs tors. theta energy: -70.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 209
Temperature: 1.250000
Total energy: -719.048021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -719.048021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -719.048021 (E_RNA)
where:
Base-Base interactions energy: -458.608
where: short stacking energy: -210.374
Base-Backbone interact. energy: -0.288
local terms energy: -260.152192
where:
bonds (distance) C4'-P energy: -65.410
bonds (distance) P-C4' energy: -50.215
flat angles C4'-P-C4' energy: -64.167
flat angles P-C4'-P energy: -44.727
tors. eta vs tors. theta energy: -35.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 209
Temperature: 1.300000
Total energy: -576.082083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -576.082083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -576.082083 (E_RNA)
where:
Base-Base interactions energy: -336.534
where: short stacking energy: -157.223
Base-Backbone interact. energy: 0.895
local terms energy: -240.443440
where:
bonds (distance) C4'-P energy: -57.672
bonds (distance) P-C4' energy: -72.946
flat angles C4'-P-C4' energy: -61.736
flat angles P-C4'-P energy: -24.830
tors. eta vs tors. theta energy: -23.260
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: 10, replica: 6
=====================================
Write number: 209
Temperature: 1.350000
Total energy: -411.492842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.492842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.492842 (E_RNA)
where:
Base-Base interactions energy: -209.812
where: short stacking energy: -116.029
Base-Backbone interact. energy: 10.805
local terms energy: -212.485604
where:
bonds (distance) C4'-P energy: -56.915
bonds (distance) P-C4' energy: -79.685
flat angles C4'-P-C4' energy: -57.742
flat angles P-C4'-P energy: -25.680
tors. eta vs tors. theta energy: 7.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 210
Temperature: 0.900000
Total energy: -1415.102026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1415.102026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1415.102026 (E_RNA)
where:
Base-Base interactions energy: -983.237
where: short stacking energy: -434.756
Base-Backbone interact. energy: -3.182
local terms energy: -428.682688
where:
bonds (distance) C4'-P energy: -83.669
bonds (distance) P-C4' energy: -73.555
flat angles C4'-P-C4' energy: -91.241
flat angles P-C4'-P energy: -58.523
tors. eta vs tors. theta energy: -121.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 210
Temperature: 0.950000
Total energy: -1324.945090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1324.945090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1324.945090 (E_RNA)
where:
Base-Base interactions energy: -918.548
where: short stacking energy: -414.785
Base-Backbone interact. energy: 0.741
local terms energy: -407.137921
where:
bonds (distance) C4'-P energy: -66.963
bonds (distance) P-C4' energy: -71.006
flat angles C4'-P-C4' energy: -83.179
flat angles P-C4'-P energy: -63.979
tors. eta vs tors. theta energy: -122.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 210
Temperature: 1.000000
Total energy: -1309.509164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1309.509164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1309.509164 (E_RNA)
where:
Base-Base interactions energy: -894.006
where: short stacking energy: -387.515
Base-Backbone interact. energy: -3.702
local terms energy: -411.801283
where:
bonds (distance) C4'-P energy: -67.531
bonds (distance) P-C4' energy: -80.761
flat angles C4'-P-C4' energy: -80.886
flat angles P-C4'-P energy: -63.549
tors. eta vs tors. theta energy: -119.074
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: 9
=====================================
Write number: 210
Temperature: 1.050000
Total energy: -1186.645151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1186.645151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1186.645151 (E_RNA)
where:
Base-Base interactions energy: -819.028
where: short stacking energy: -360.062
Base-Backbone interact. energy: 0.373
local terms energy: -367.989252
where:
bonds (distance) C4'-P energy: -69.614
bonds (distance) P-C4' energy: -72.745
flat angles C4'-P-C4' energy: -78.684
flat angles P-C4'-P energy: -50.956
tors. eta vs tors. theta energy: -95.990
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: 5, replica: 8
=====================================
Write number: 210
Temperature: 1.100000
Total energy: -1084.592686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1084.592686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1084.592686 (E_RNA)
where:
Base-Base interactions energy: -713.784
where: short stacking energy: -319.472
Base-Backbone interact. energy: 0.199
local terms energy: -371.007882
where:
bonds (distance) C4'-P energy: -79.191
bonds (distance) P-C4' energy: -69.898
flat angles C4'-P-C4' energy: -79.650
flat angles P-C4'-P energy: -53.878
tors. eta vs tors. theta energy: -88.391
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: 6, replica: 4
=====================================
Write number: 210
Temperature: 1.150000
Total energy: -912.563945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -912.563945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -912.563945 (E_RNA)
where:
Base-Base interactions energy: -570.739
where: short stacking energy: -275.239
Base-Backbone interact. energy: 0.652
local terms energy: -342.476511
where:
bonds (distance) C4'-P energy: -81.325
bonds (distance) P-C4' energy: -76.856
flat angles C4'-P-C4' energy: -77.543
flat angles P-C4'-P energy: -48.291
tors. eta vs tors. theta energy: -58.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 210
Temperature: 1.200000
Total energy: -823.451451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -823.451451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -823.451451 (E_RNA)
where:
Base-Base interactions energy: -514.499
where: short stacking energy: -217.931
Base-Backbone interact. energy: -1.859
local terms energy: -307.093188
where:
bonds (distance) C4'-P energy: -69.730
bonds (distance) P-C4' energy: -71.477
flat angles C4'-P-C4' energy: -73.292
flat angles P-C4'-P energy: -47.173
tors. eta vs tors. theta energy: -45.421
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: 10
=====================================
Write number: 210
Temperature: 1.250000
Total energy: -797.928142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -797.928142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -797.928142 (E_RNA)
where:
Base-Base interactions energy: -508.512
where: short stacking energy: -233.330
Base-Backbone interact. energy: 2.725
local terms energy: -292.140761
where:
bonds (distance) C4'-P energy: -53.237
bonds (distance) P-C4' energy: -65.381
flat angles C4'-P-C4' energy: -73.275
flat angles P-C4'-P energy: -48.140
tors. eta vs tors. theta energy: -52.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 210
Temperature: 1.300000
Total energy: -585.571733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -585.571733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -585.571733 (E_RNA)
where:
Base-Base interactions energy: -325.942
where: short stacking energy: -160.938
Base-Backbone interact. energy: -1.705
local terms energy: -257.925025
where:
bonds (distance) C4'-P energy: -51.149
bonds (distance) P-C4' energy: -79.032
flat angles C4'-P-C4' energy: -65.955
flat angles P-C4'-P energy: -42.649
tors. eta vs tors. theta energy: -19.139
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: 10, replica: 6
=====================================
Write number: 210
Temperature: 1.350000
Total energy: -559.844648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.844648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.844648 (E_RNA)
where:
Base-Base interactions energy: -325.481
where: short stacking energy: -177.944
Base-Backbone interact. energy: -0.251
local terms energy: -234.112713
where:
bonds (distance) C4'-P energy: -61.854
bonds (distance) P-C4' energy: -56.890
flat angles C4'-P-C4' energy: -55.536
flat angles P-C4'-P energy: -27.720
tors. eta vs tors. theta energy: -32.114
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: 7
=====================================
Write number: 211
Temperature: 0.900000
Total energy: -1412.101262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1412.101262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1412.101262 (E_RNA)
where:
Base-Base interactions energy: -986.815
where: short stacking energy: -425.359
Base-Backbone interact. energy: -1.172
local terms energy: -424.113875
where:
bonds (distance) C4'-P energy: -70.879
bonds (distance) P-C4' energy: -81.928
flat angles C4'-P-C4' energy: -88.927
flat angles P-C4'-P energy: -59.650
tors. eta vs tors. theta energy: -122.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 211
Temperature: 0.950000
Total energy: -1292.290440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1292.290440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1292.290440 (E_RNA)
where:
Base-Base interactions energy: -881.447
where: short stacking energy: -386.825
Base-Backbone interact. energy: -1.515
local terms energy: -409.327798
where:
bonds (distance) C4'-P energy: -80.684
bonds (distance) P-C4' energy: -75.847
flat angles C4'-P-C4' energy: -83.126
flat angles P-C4'-P energy: -52.387
tors. eta vs tors. theta energy: -117.285
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: 5
=====================================
Write number: 211
Temperature: 1.000000
Total energy: -1280.530753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1280.530753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1280.530753 (E_RNA)
where:
Base-Base interactions energy: -888.130
where: short stacking energy: -384.069
Base-Backbone interact. energy: -1.565
local terms energy: -390.835325
where:
bonds (distance) C4'-P energy: -78.516
bonds (distance) P-C4' energy: -70.505
flat angles C4'-P-C4' energy: -78.254
flat angles P-C4'-P energy: -49.876
tors. eta vs tors. theta energy: -113.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 211
Temperature: 1.050000
Total energy: -1217.210179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1217.210179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1217.210179 (E_RNA)
where:
Base-Base interactions energy: -828.148
where: short stacking energy: -371.092
Base-Backbone interact. energy: -0.104
local terms energy: -388.958238
where:
bonds (distance) C4'-P energy: -74.768
bonds (distance) P-C4' energy: -65.625
flat angles C4'-P-C4' energy: -85.106
flat angles P-C4'-P energy: -50.284
tors. eta vs tors. theta energy: -113.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 211
Temperature: 1.100000
Total energy: -1035.538974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1035.538974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1035.538974 (E_RNA)
where:
Base-Base interactions energy: -699.677
where: short stacking energy: -304.676
Base-Backbone interact. energy: -0.671
local terms energy: -335.190633
where:
bonds (distance) C4'-P energy: -73.980
bonds (distance) P-C4' energy: -72.616
flat angles C4'-P-C4' energy: -75.498
flat angles P-C4'-P energy: -41.517
tors. eta vs tors. theta energy: -71.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 211
Temperature: 1.150000
Total energy: -912.307746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -912.307746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -912.307746 (E_RNA)
where:
Base-Base interactions energy: -589.968
where: short stacking energy: -260.379
Base-Backbone interact. energy: -3.418
local terms energy: -318.922244
where:
bonds (distance) C4'-P energy: -68.564
bonds (distance) P-C4' energy: -74.477
flat angles C4'-P-C4' energy: -76.646
flat angles P-C4'-P energy: -49.318
tors. eta vs tors. theta energy: -49.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 211
Temperature: 1.200000
Total energy: -833.882630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -833.882630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -833.882630 (E_RNA)
where:
Base-Base interactions energy: -534.625
where: short stacking energy: -267.333
Base-Backbone interact. energy: -0.379
local terms energy: -298.879361
where:
bonds (distance) C4'-P energy: -58.656
bonds (distance) P-C4' energy: -67.073
flat angles C4'-P-C4' energy: -68.964
flat angles P-C4'-P energy: -30.252
tors. eta vs tors. theta energy: -73.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 211
Temperature: 1.250000
Total energy: -742.771312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -742.771312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -742.771312 (E_RNA)
where:
Base-Base interactions energy: -494.640
where: short stacking energy: -224.691
Base-Backbone interact. energy: 3.832
local terms energy: -251.963070
where:
bonds (distance) C4'-P energy: -61.858
bonds (distance) P-C4' energy: -65.043
flat angles C4'-P-C4' energy: -57.386
flat angles P-C4'-P energy: -26.374
tors. eta vs tors. theta energy: -41.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 211
Temperature: 1.300000
Total energy: -587.361669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -587.361669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -587.361669 (E_RNA)
where:
Base-Base interactions energy: -320.856
where: short stacking energy: -174.231
Base-Backbone interact. energy: 5.008
local terms energy: -271.513637
where:
bonds (distance) C4'-P energy: -65.570
bonds (distance) P-C4' energy: -64.352
flat angles C4'-P-C4' energy: -67.805
flat angles P-C4'-P energy: -43.879
tors. eta vs tors. theta energy: -29.908
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: 6
=====================================
Write number: 211
Temperature: 1.350000
Total energy: -581.858128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -581.858128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -581.858128 (E_RNA)
where:
Base-Base interactions energy: -331.054
where: short stacking energy: -181.113
Base-Backbone interact. energy: 0.609
local terms energy: -251.413568
where:
bonds (distance) C4'-P energy: -68.924
bonds (distance) P-C4' energy: -70.770
flat angles C4'-P-C4' energy: -47.091
flat angles P-C4'-P energy: -40.615
tors. eta vs tors. theta energy: -24.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 212
Temperature: 0.900000
Total energy: -1427.063118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1427.063118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1427.063118 (E_RNA)
where:
Base-Base interactions energy: -1007.232
where: short stacking energy: -429.751
Base-Backbone interact. energy: -1.522
local terms energy: -418.308958
where:
bonds (distance) C4'-P energy: -81.070
bonds (distance) P-C4' energy: -68.733
flat angles C4'-P-C4' energy: -84.826
flat angles P-C4'-P energy: -63.488
tors. eta vs tors. theta energy: -120.191
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: 3
=====================================
Write number: 212
Temperature: 0.950000
Total energy: -1326.269821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1326.269821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1326.269821 (E_RNA)
where:
Base-Base interactions energy: -908.385
where: short stacking energy: -397.809
Base-Backbone interact. energy: -1.301
local terms energy: -416.583443
where:
bonds (distance) C4'-P energy: -77.735
bonds (distance) P-C4' energy: -78.381
flat angles C4'-P-C4' energy: -86.372
flat angles P-C4'-P energy: -57.402
tors. eta vs tors. theta energy: -116.693
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: 5
=====================================
Write number: 212
Temperature: 1.000000
Total energy: -1265.430787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1265.430787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1265.430787 (E_RNA)
where:
Base-Base interactions energy: -894.048
where: short stacking energy: -378.463
Base-Backbone interact. energy: 1.508
local terms energy: -375.703974
where:
bonds (distance) C4'-P energy: -63.391
bonds (distance) P-C4' energy: -72.998
flat angles C4'-P-C4' energy: -87.033
flat angles P-C4'-P energy: -46.226
tors. eta vs tors. theta energy: -106.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 2.814 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 212
Temperature: 1.050000
Total energy: -1213.093432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1213.093432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1213.093432 (E_RNA)
where:
Base-Base interactions energy: -821.869
where: short stacking energy: -353.731
Base-Backbone interact. energy: 0.825
local terms energy: -392.049544
where:
bonds (distance) C4'-P energy: -71.518
bonds (distance) P-C4' energy: -79.905
flat angles C4'-P-C4' energy: -88.346
flat angles P-C4'-P energy: -57.078
tors. eta vs tors. theta energy: -95.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 212
Temperature: 1.100000
Total energy: -1068.769661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1068.769661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1068.769661 (E_RNA)
where:
Base-Base interactions energy: -697.879
where: short stacking energy: -300.730
Base-Backbone interact. energy: -2.195
local terms energy: -368.695495
where:
bonds (distance) C4'-P energy: -70.332
bonds (distance) P-C4' energy: -77.402
flat angles C4'-P-C4' energy: -87.137
flat angles P-C4'-P energy: -54.375
tors. eta vs tors. theta energy: -79.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 212
Temperature: 1.150000
Total energy: -953.010902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -953.010902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -953.010902 (E_RNA)
where:
Base-Base interactions energy: -618.949
where: short stacking energy: -255.898
Base-Backbone interact. energy: -0.146
local terms energy: -333.916782
where:
bonds (distance) C4'-P energy: -58.833
bonds (distance) P-C4' energy: -84.457
flat angles C4'-P-C4' energy: -72.640
flat angles P-C4'-P energy: -52.957
tors. eta vs tors. theta energy: -65.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 212
Temperature: 1.200000
Total energy: -837.417526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -837.417526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -837.417526 (E_RNA)
where:
Base-Base interactions energy: -543.987
where: short stacking energy: -254.783
Base-Backbone interact. energy: 6.711
local terms energy: -300.141401
where:
bonds (distance) C4'-P energy: -73.234
bonds (distance) P-C4' energy: -60.638
flat angles C4'-P-C4' energy: -68.253
flat angles P-C4'-P energy: -39.569
tors. eta vs tors. theta energy: -58.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 212
Temperature: 1.250000
Total energy: -755.838422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -755.838422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -755.838422 (E_RNA)
where:
Base-Base interactions energy: -471.378
where: short stacking energy: -216.124
Base-Backbone interact. energy: -1.962
local terms energy: -282.498200
where:
bonds (distance) C4'-P energy: -59.249
bonds (distance) P-C4' energy: -64.340
flat angles C4'-P-C4' energy: -76.219
flat angles P-C4'-P energy: -35.982
tors. eta vs tors. theta energy: -46.709
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: 2
=====================================
Write number: 212
Temperature: 1.300000
Total energy: -575.144649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -575.144649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -575.144649 (E_RNA)
where:
Base-Base interactions energy: -305.739
where: short stacking energy: -168.092
Base-Backbone interact. energy: -2.083
local terms energy: -267.322008
where:
bonds (distance) C4'-P energy: -59.057
bonds (distance) P-C4' energy: -68.833
flat angles C4'-P-C4' energy: -80.760
flat angles P-C4'-P energy: -42.035
tors. eta vs tors. theta energy: -16.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 212
Temperature: 1.350000
Total energy: -585.127792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -585.127792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -585.127792 (E_RNA)
where:
Base-Base interactions energy: -337.827
where: short stacking energy: -184.048
Base-Backbone interact. energy: 1.332
local terms energy: -248.632817
where:
bonds (distance) C4'-P energy: -63.622
bonds (distance) P-C4' energy: -59.465
flat angles C4'-P-C4' energy: -70.001
flat angles P-C4'-P energy: -39.971
tors. eta vs tors. theta energy: -15.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 213
Temperature: 0.900000
Total energy: -1412.600419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1412.600419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1412.600419 (E_RNA)
where:
Base-Base interactions energy: -996.261
where: short stacking energy: -408.458
Base-Backbone interact. energy: -0.480
local terms energy: -415.859501
where:
bonds (distance) C4'-P energy: -85.177
bonds (distance) P-C4' energy: -76.175
flat angles C4'-P-C4' energy: -84.283
flat angles P-C4'-P energy: -62.723
tors. eta vs tors. theta energy: -107.501
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: 3
=====================================
Write number: 213
Temperature: 0.950000
Total energy: -1305.605305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1305.605305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1305.605305 (E_RNA)
where:
Base-Base interactions energy: -900.468
where: short stacking energy: -395.130
Base-Backbone interact. energy: -0.484
local terms energy: -404.653542
where:
bonds (distance) C4'-P energy: -75.432
bonds (distance) P-C4' energy: -79.162
flat angles C4'-P-C4' energy: -86.034
flat angles P-C4'-P energy: -49.350
tors. eta vs tors. theta energy: -114.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 213
Temperature: 1.000000
Total energy: -1275.090508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1275.090508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1275.090508 (E_RNA)
where:
Base-Base interactions energy: -877.114
where: short stacking energy: -354.453
Base-Backbone interact. energy: -3.486
local terms energy: -394.490452
where:
bonds (distance) C4'-P energy: -81.628
bonds (distance) P-C4' energy: -77.487
flat angles C4'-P-C4' energy: -81.847
flat angles P-C4'-P energy: -54.849
tors. eta vs tors. theta energy: -98.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 213
Temperature: 1.050000
Total energy: -1221.558408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1221.558408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1221.558408 (E_RNA)
where:
Base-Base interactions energy: -865.267
where: short stacking energy: -360.784
Base-Backbone interact. energy: 1.718
local terms energy: -358.009987
where:
bonds (distance) C4'-P energy: -63.023
bonds (distance) P-C4' energy: -70.567
flat angles C4'-P-C4' energy: -82.321
flat angles P-C4'-P energy: -48.080
tors. eta vs tors. theta energy: -94.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 213
Temperature: 1.100000
Total energy: -1086.223249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1086.223249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1086.223249 (E_RNA)
where:
Base-Base interactions energy: -722.161
where: short stacking energy: -323.054
Base-Backbone interact. energy: -2.448
local terms energy: -361.614460
where:
bonds (distance) C4'-P energy: -65.766
bonds (distance) P-C4' energy: -74.152
flat angles C4'-P-C4' energy: -78.300
flat angles P-C4'-P energy: -62.068
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: 6, replica: 4
=====================================
Write number: 213
Temperature: 1.150000
Total energy: -912.109448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -912.109448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -912.109448 (E_RNA)
where:
Base-Base interactions energy: -615.202
where: short stacking energy: -233.255
Base-Backbone interact. energy: -0.716
local terms energy: -296.191355
where:
bonds (distance) C4'-P energy: -58.465
bonds (distance) P-C4' energy: -65.771
flat angles C4'-P-C4' energy: -71.616
flat angles P-C4'-P energy: -55.500
tors. eta vs tors. theta energy: -44.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 213
Temperature: 1.200000
Total energy: -812.225412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -812.225412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -812.225412 (E_RNA)
where:
Base-Base interactions energy: -518.590
where: short stacking energy: -244.355
Base-Backbone interact. energy: -0.700
local terms energy: -292.935545
where:
bonds (distance) C4'-P energy: -63.100
bonds (distance) P-C4' energy: -66.428
flat angles C4'-P-C4' energy: -72.128
flat angles P-C4'-P energy: -37.204
tors. eta vs tors. theta energy: -54.076
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: 10
=====================================
Write number: 213
Temperature: 1.250000
Total energy: -807.761982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -807.761982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -807.761982 (E_RNA)
where:
Base-Base interactions energy: -502.196
where: short stacking energy: -222.678
Base-Backbone interact. energy: -2.046
local terms energy: -303.520253
where:
bonds (distance) C4'-P energy: -74.734
bonds (distance) P-C4' energy: -68.003
flat angles C4'-P-C4' energy: -76.095
flat angles P-C4'-P energy: -40.480
tors. eta vs tors. theta energy: -44.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 213
Temperature: 1.300000
Total energy: -540.826582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.826582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.826582 (E_RNA)
where:
Base-Base interactions energy: -310.015
where: short stacking energy: -168.856
Base-Backbone interact. energy: -1.378
local terms energy: -229.433345
where:
bonds (distance) C4'-P energy: -59.117
bonds (distance) P-C4' energy: -57.880
flat angles C4'-P-C4' energy: -67.695
flat angles P-C4'-P energy: -36.654
tors. eta vs tors. theta energy: -8.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 213
Temperature: 1.350000
Total energy: -554.744600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.744600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.744600 (E_RNA)
where:
Base-Base interactions energy: -333.510
where: short stacking energy: -167.598
Base-Backbone interact. energy: -1.578
local terms energy: -219.655934
where:
bonds (distance) C4'-P energy: -46.483
bonds (distance) P-C4' energy: -71.205
flat angles C4'-P-C4' energy: -68.123
flat angles P-C4'-P energy: -27.122
tors. eta vs tors. theta energy: -6.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 214
Temperature: 0.900000
Total energy: -1408.610350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1408.610350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1408.610350 (E_RNA)
where:
Base-Base interactions energy: -992.469
where: short stacking energy: -401.329
Base-Backbone interact. energy: -2.801
local terms energy: -413.340856
where:
bonds (distance) C4'-P energy: -79.908
bonds (distance) P-C4' energy: -76.015
flat angles C4'-P-C4' energy: -89.677
flat angles P-C4'-P energy: -59.853
tors. eta vs tors. theta energy: -107.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 214
Temperature: 0.950000
Total energy: -1307.807630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1307.807630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1307.807630 (E_RNA)
where:
Base-Base interactions energy: -888.157
where: short stacking energy: -397.409
Base-Backbone interact. energy: 0.744
local terms energy: -420.394289
where:
bonds (distance) C4'-P energy: -71.439
bonds (distance) P-C4' energy: -80.758
flat angles C4'-P-C4' energy: -89.264
flat angles P-C4'-P energy: -59.889
tors. eta vs tors. theta energy: -119.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 214
Temperature: 1.000000
Total energy: -1252.970924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1252.970924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1252.970924 (E_RNA)
where:
Base-Base interactions energy: -847.601
where: short stacking energy: -375.307
Base-Backbone interact. energy: 0.748
local terms energy: -406.117807
where:
bonds (distance) C4'-P energy: -83.253
bonds (distance) P-C4' energy: -78.305
flat angles C4'-P-C4' energy: -81.658
flat angles P-C4'-P energy: -56.353
tors. eta vs tors. theta energy: -106.549
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: 214
Temperature: 1.050000
Total energy: -1237.381249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1237.381249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1237.381249 (E_RNA)
where:
Base-Base interactions energy: -829.659
where: short stacking energy: -340.668
Base-Backbone interact. energy: -2.700
local terms energy: -405.022021
where:
bonds (distance) C4'-P energy: -78.216
bonds (distance) P-C4' energy: -81.984
flat angles C4'-P-C4' energy: -86.696
flat angles P-C4'-P energy: -61.480
tors. eta vs tors. theta energy: -96.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 214
Temperature: 1.100000
Total energy: -1109.414904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1109.414904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1109.414904 (E_RNA)
where:
Base-Base interactions energy: -755.127
where: short stacking energy: -316.949
Base-Backbone interact. energy: -1.039
local terms energy: -353.249076
where:
bonds (distance) C4'-P energy: -77.344
bonds (distance) P-C4' energy: -69.681
flat angles C4'-P-C4' energy: -79.593
flat angles P-C4'-P energy: -56.294
tors. eta vs tors. theta energy: -70.336
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: 6, replica: 4
=====================================
Write number: 214
Temperature: 1.150000
Total energy: -909.563273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -909.563273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -909.563273 (E_RNA)
where:
Base-Base interactions energy: -611.862
where: short stacking energy: -266.264
Base-Backbone interact. energy: -1.581
local terms energy: -296.120030
where:
bonds (distance) C4'-P energy: -48.940
bonds (distance) P-C4' energy: -65.936
flat angles C4'-P-C4' energy: -76.149
flat angles P-C4'-P energy: -44.031
tors. eta vs tors. theta energy: -61.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 214
Temperature: 1.200000
Total energy: -790.914960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -790.914960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -790.914960 (E_RNA)
where:
Base-Base interactions energy: -492.962
where: short stacking energy: -218.572
Base-Backbone interact. energy: 2.209
local terms energy: -300.162497
where:
bonds (distance) C4'-P energy: -55.758
bonds (distance) P-C4' energy: -75.027
flat angles C4'-P-C4' energy: -75.062
flat angles P-C4'-P energy: -45.699
tors. eta vs tors. theta energy: -48.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 214
Temperature: 1.250000
Total energy: -773.591684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -773.591684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -773.591684 (E_RNA)
where:
Base-Base interactions energy: -491.068
where: short stacking energy: -224.542
Base-Backbone interact. energy: 0.143
local terms energy: -282.666668
where:
bonds (distance) C4'-P energy: -59.354
bonds (distance) P-C4' energy: -62.807
flat angles C4'-P-C4' energy: -67.500
flat angles P-C4'-P energy: -50.821
tors. eta vs tors. theta energy: -42.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 214
Temperature: 1.300000
Total energy: -611.836828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -611.836828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -611.836828 (E_RNA)
where:
Base-Base interactions energy: -356.099
where: short stacking energy: -167.802
Base-Backbone interact. energy: -0.471
local terms energy: -255.266221
where:
bonds (distance) C4'-P energy: -85.977
bonds (distance) P-C4' energy: -54.230
flat angles C4'-P-C4' energy: -59.948
flat angles P-C4'-P energy: -32.740
tors. eta vs tors. theta energy: -22.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 214
Temperature: 1.350000
Total energy: -509.037299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.037299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.037299 (E_RNA)
where:
Base-Base interactions energy: -254.280
where: short stacking energy: -136.742
Base-Backbone interact. energy: 0.297
local terms energy: -255.054884
where:
bonds (distance) C4'-P energy: -57.736
bonds (distance) P-C4' energy: -67.789
flat angles C4'-P-C4' energy: -63.631
flat angles P-C4'-P energy: -49.120
tors. eta vs tors. theta energy: -16.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 215
Temperature: 0.900000
Total energy: -1423.168985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1423.168985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1423.168985 (E_RNA)
where:
Base-Base interactions energy: -1004.170
where: short stacking energy: -413.410
Base-Backbone interact. energy: -1.693
local terms energy: -417.306519
where:
bonds (distance) C4'-P energy: -72.519
bonds (distance) P-C4' energy: -70.376
flat angles C4'-P-C4' energy: -90.384
flat angles P-C4'-P energy: -69.227
tors. eta vs tors. theta energy: -114.800
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: 3
=====================================
Write number: 215
Temperature: 0.950000
Total energy: -1291.698166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1291.698166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1291.698166 (E_RNA)
where:
Base-Base interactions energy: -876.621
where: short stacking energy: -391.759
Base-Backbone interact. energy: -1.248
local terms energy: -413.830058
where:
bonds (distance) C4'-P energy: -84.748
bonds (distance) P-C4' energy: -64.512
flat angles C4'-P-C4' energy: -87.010
flat angles P-C4'-P energy: -63.030
tors. eta vs tors. theta energy: -114.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 215
Temperature: 1.000000
Total energy: -1261.468542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1261.468542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1261.468542 (E_RNA)
where:
Base-Base interactions energy: -850.473
where: short stacking energy: -367.629
Base-Backbone interact. energy: 3.723
local terms energy: -414.718456
where:
bonds (distance) C4'-P energy: -82.807
bonds (distance) P-C4' energy: -69.868
flat angles C4'-P-C4' energy: -82.030
flat angles P-C4'-P energy: -65.338
tors. eta vs tors. theta energy: -114.675
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: 5
=====================================
Write number: 215
Temperature: 1.050000
Total energy: -1244.909498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1244.909498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1244.909498 (E_RNA)
where:
Base-Base interactions energy: -876.383
where: short stacking energy: -384.640
Base-Backbone interact. energy: -0.309
local terms energy: -368.217951
where:
bonds (distance) C4'-P energy: -68.379
bonds (distance) P-C4' energy: -64.465
flat angles C4'-P-C4' energy: -79.146
flat angles P-C4'-P energy: -51.781
tors. eta vs tors. theta energy: -104.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 215
Temperature: 1.100000
Total energy: -1077.448067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1077.448067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1077.448067 (E_RNA)
where:
Base-Base interactions energy: -715.194
where: short stacking energy: -325.879
Base-Backbone interact. energy: -2.842
local terms energy: -359.840805
where:
bonds (distance) C4'-P energy: -71.799
bonds (distance) P-C4' energy: -66.449
flat angles C4'-P-C4' energy: -81.385
flat angles P-C4'-P energy: -49.435
tors. eta vs tors. theta energy: -90.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.429 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 215
Temperature: 1.150000
Total energy: -919.023121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -919.023121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -919.023121 (E_RNA)
where:
Base-Base interactions energy: -578.524
where: short stacking energy: -274.816
Base-Backbone interact. energy: -2.167
local terms energy: -338.331824
where:
bonds (distance) C4'-P energy: -75.707
bonds (distance) P-C4' energy: -74.213
flat angles C4'-P-C4' energy: -76.370
flat angles P-C4'-P energy: -41.092
tors. eta vs tors. theta energy: -70.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 215
Temperature: 1.200000
Total energy: -778.571523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -778.571523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -778.571523 (E_RNA)
where:
Base-Base interactions energy: -468.475
where: short stacking energy: -218.829
Base-Backbone interact. energy: -2.165
local terms energy: -307.930938
where:
bonds (distance) C4'-P energy: -74.517
bonds (distance) P-C4' energy: -67.535
flat angles C4'-P-C4' energy: -73.462
flat angles P-C4'-P energy: -49.269
tors. eta vs tors. theta energy: -43.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 215
Temperature: 1.250000
Total energy: -791.753415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -791.753415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -791.753415 (E_RNA)
where:
Base-Base interactions energy: -510.051
where: short stacking energy: -250.279
Base-Backbone interact. energy: -1.050
local terms energy: -280.652846
where:
bonds (distance) C4'-P energy: -62.481
bonds (distance) P-C4' energy: -56.655
flat angles C4'-P-C4' energy: -67.977
flat angles P-C4'-P energy: -36.100
tors. eta vs tors. theta energy: -57.440
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: 9, replica: 6
=====================================
Write number: 215
Temperature: 1.300000
Total energy: -635.076753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -635.076753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -635.076753 (E_RNA)
where:
Base-Base interactions energy: -371.438
where: short stacking energy: -196.701
Base-Backbone interact. energy: -1.114
local terms energy: -262.524078
where:
bonds (distance) C4'-P energy: -68.594
bonds (distance) P-C4' energy: -68.037
flat angles C4'-P-C4' energy: -65.092
flat angles P-C4'-P energy: -38.600
tors. eta vs tors. theta energy: -22.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 215
Temperature: 1.350000
Total energy: -505.080121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.080121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.080121 (E_RNA)
where:
Base-Base interactions energy: -283.671
where: short stacking energy: -148.608
Base-Backbone interact. energy: -0.845
local terms energy: -220.564414
where:
bonds (distance) C4'-P energy: -36.282
bonds (distance) P-C4' energy: -71.448
flat angles C4'-P-C4' energy: -49.212
flat angles P-C4'-P energy: -46.266
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: 1, replica: 7
=====================================
Write number: 216
Temperature: 0.900000
Total energy: -1416.863136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1416.863136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1416.863136 (E_RNA)
where:
Base-Base interactions energy: -981.999
where: short stacking energy: -395.899
Base-Backbone interact. energy: -2.226
local terms energy: -432.637804
where:
bonds (distance) C4'-P energy: -81.054
bonds (distance) P-C4' energy: -79.929
flat angles C4'-P-C4' energy: -88.711
flat angles P-C4'-P energy: -60.908
tors. eta vs tors. theta energy: -122.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 216
Temperature: 0.950000
Total energy: -1294.283456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1294.283456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1294.283456 (E_RNA)
where:
Base-Base interactions energy: -897.003
where: short stacking energy: -396.641
Base-Backbone interact. energy: 1.037
local terms energy: -398.317129
where:
bonds (distance) C4'-P energy: -67.220
bonds (distance) P-C4' energy: -60.976
flat angles C4'-P-C4' energy: -90.978
flat angles P-C4'-P energy: -56.881
tors. eta vs tors. theta energy: -122.261
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: 9
=====================================
Write number: 216
Temperature: 1.000000
Total energy: -1261.280791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1261.280791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1261.280791 (E_RNA)
where:
Base-Base interactions energy: -877.311
where: short stacking energy: -380.684
Base-Backbone interact. energy: -1.109
local terms energy: -382.861204
where:
bonds (distance) C4'-P energy: -67.811
bonds (distance) P-C4' energy: -77.052
flat angles C4'-P-C4' energy: -73.796
flat angles P-C4'-P energy: -55.398
tors. eta vs tors. theta energy: -108.804
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: 216
Temperature: 1.050000
Total energy: -1236.828945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1236.828945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1236.828945 (E_RNA)
where:
Base-Base interactions energy: -859.246
where: short stacking energy: -384.261
Base-Backbone interact. energy: 1.186
local terms energy: -378.768206
where:
bonds (distance) C4'-P energy: -69.251
bonds (distance) P-C4' energy: -71.719
flat angles C4'-P-C4' energy: -81.160
flat angles P-C4'-P energy: -43.602
tors. eta vs tors. theta energy: -113.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 216
Temperature: 1.100000
Total energy: -1110.056824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1110.056824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1110.056824 (E_RNA)
where:
Base-Base interactions energy: -747.650
where: short stacking energy: -322.744
Base-Backbone interact. energy: -1.674
local terms energy: -360.733301
where:
bonds (distance) C4'-P energy: -66.688
bonds (distance) P-C4' energy: -70.216
flat angles C4'-P-C4' energy: -75.277
flat angles P-C4'-P energy: -49.321
tors. eta vs tors. theta energy: -99.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 216
Temperature: 1.150000
Total energy: -904.499040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -904.499040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -904.499040 (E_RNA)
where:
Base-Base interactions energy: -588.701
where: short stacking energy: -254.282
Base-Backbone interact. energy: 0.181
local terms energy: -315.978685
where:
bonds (distance) C4'-P energy: -70.385
bonds (distance) P-C4' energy: -74.721
flat angles C4'-P-C4' energy: -71.618
flat angles P-C4'-P energy: -36.358
tors. eta vs tors. theta energy: -62.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 216
Temperature: 1.200000
Total energy: -852.814946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -852.814946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -852.814946 (E_RNA)
where:
Base-Base interactions energy: -533.967
where: short stacking energy: -265.830
Base-Backbone interact. energy: -2.022
local terms energy: -316.825327
where:
bonds (distance) C4'-P energy: -66.850
bonds (distance) P-C4' energy: -56.851
flat angles C4'-P-C4' energy: -78.796
flat angles P-C4'-P energy: -51.829
tors. eta vs tors. theta energy: -62.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 216
Temperature: 1.250000
Total energy: -751.159872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -751.159872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -751.159872 (E_RNA)
where:
Base-Base interactions energy: -489.326
where: short stacking energy: -220.011
Base-Backbone interact. energy: 0.343
local terms energy: -262.176622
where:
bonds (distance) C4'-P energy: -57.888
bonds (distance) P-C4' energy: -65.193
flat angles C4'-P-C4' energy: -61.279
flat angles P-C4'-P energy: -38.082
tors. eta vs tors. theta energy: -39.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 216
Temperature: 1.300000
Total energy: -586.374433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -586.374433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -586.374433 (E_RNA)
where:
Base-Base interactions energy: -336.216
where: short stacking energy: -188.935
Base-Backbone interact. energy: 0.786
local terms energy: -250.943760
where:
bonds (distance) C4'-P energy: -63.818
bonds (distance) P-C4' energy: -58.773
flat angles C4'-P-C4' energy: -59.481
flat angles P-C4'-P energy: -39.816
tors. eta vs tors. theta energy: -29.056
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: 10, replica: 2
=====================================
Write number: 216
Temperature: 1.350000
Total energy: -518.795591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.795591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.795591 (E_RNA)
where:
Base-Base interactions energy: -281.214
where: short stacking energy: -161.586
Base-Backbone interact. energy: -2.135
local terms energy: -235.445936
where:
bonds (distance) C4'-P energy: -51.526
bonds (distance) P-C4' energy: -71.830
flat angles C4'-P-C4' energy: -62.057
flat angles P-C4'-P energy: -26.468
tors. eta vs tors. theta energy: -23.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 217
Temperature: 0.900000
Total energy: -1407.372650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1407.372650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1407.372650 (E_RNA)
where:
Base-Base interactions energy: -993.746
where: short stacking energy: -410.444
Base-Backbone interact. energy: -2.397
local terms energy: -411.229362
where:
bonds (distance) C4'-P energy: -68.559
bonds (distance) P-C4' energy: -79.677
flat angles C4'-P-C4' energy: -91.719
flat angles P-C4'-P energy: -49.455
tors. eta vs tors. theta energy: -121.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 217
Temperature: 0.950000
Total energy: -1308.937337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1308.937337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1308.937337 (E_RNA)
where:
Base-Base interactions energy: -909.194
where: short stacking energy: -401.953
Base-Backbone interact. energy: -1.577
local terms energy: -398.166349
where:
bonds (distance) C4'-P energy: -74.825
bonds (distance) P-C4' energy: -76.971
flat angles C4'-P-C4' energy: -81.352
flat angles P-C4'-P energy: -53.916
tors. eta vs tors. theta energy: -111.102
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: 3, replica: 3
=====================================
Write number: 217
Temperature: 1.000000
Total energy: -1288.638779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1288.638779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1288.638779 (E_RNA)
where:
Base-Base interactions energy: -876.697
where: short stacking energy: -384.784
Base-Backbone interact. energy: -2.371
local terms energy: -409.570859
where:
bonds (distance) C4'-P energy: -68.666
bonds (distance) P-C4' energy: -77.309
flat angles C4'-P-C4' energy: -82.691
flat angles P-C4'-P energy: -55.406
tors. eta vs tors. theta energy: -125.499
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: 5
=====================================
Write number: 217
Temperature: 1.050000
Total energy: -1219.595485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1219.595485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1219.595485 (E_RNA)
where:
Base-Base interactions energy: -850.121
where: short stacking energy: -350.180
Base-Backbone interact. energy: 0.474
local terms energy: -369.948467
where:
bonds (distance) C4'-P energy: -68.590
bonds (distance) P-C4' energy: -62.380
flat angles C4'-P-C4' energy: -81.086
flat angles P-C4'-P energy: -53.392
tors. eta vs tors. theta energy: -104.500
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: 8
=====================================
Write number: 217
Temperature: 1.100000
Total energy: -1149.453527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1149.453527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1149.453527 (E_RNA)
where:
Base-Base interactions energy: -787.707
where: short stacking energy: -355.302
Base-Backbone interact. energy: -2.127
local terms energy: -359.620183
where:
bonds (distance) C4'-P energy: -64.234
bonds (distance) P-C4' energy: -78.580
flat angles C4'-P-C4' energy: -77.645
flat angles P-C4'-P energy: -45.527
tors. eta vs tors. theta energy: -93.633
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: 4
=====================================
Write number: 217
Temperature: 1.150000
Total energy: -906.936780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -906.936780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -906.936780 (E_RNA)
where:
Base-Base interactions energy: -598.713
where: short stacking energy: -255.866
Base-Backbone interact. energy: 0.274
local terms energy: -308.498083
where:
bonds (distance) C4'-P energy: -64.157
bonds (distance) P-C4' energy: -71.534
flat angles C4'-P-C4' energy: -74.086
flat angles P-C4'-P energy: -47.103
tors. eta vs tors. theta energy: -51.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 217
Temperature: 1.200000
Total energy: -812.334829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -812.334829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -812.334829 (E_RNA)
where:
Base-Base interactions energy: -511.496
where: short stacking energy: -220.562
Base-Backbone interact. energy: -0.993
local terms energy: -299.936949
where:
bonds (distance) C4'-P energy: -69.761
bonds (distance) P-C4' energy: -76.032
flat angles C4'-P-C4' energy: -68.512
flat angles P-C4'-P energy: -41.441
tors. eta vs tors. theta energy: -44.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.091 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 217
Temperature: 1.250000
Total energy: -784.561712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -784.561712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -784.561712 (E_RNA)
where:
Base-Base interactions energy: -498.183
where: short stacking energy: -220.936
Base-Backbone interact. energy: -2.274
local terms energy: -284.104502
where:
bonds (distance) C4'-P energy: -61.246
bonds (distance) P-C4' energy: -70.143
flat angles C4'-P-C4' energy: -66.543
flat angles P-C4'-P energy: -37.963
tors. eta vs tors. theta energy: -48.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 217
Temperature: 1.300000
Total energy: -606.438286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -606.438286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -606.438286 (E_RNA)
where:
Base-Base interactions energy: -360.730
where: short stacking energy: -187.678
Base-Backbone interact. energy: -2.958
local terms energy: -242.750404
where:
bonds (distance) C4'-P energy: -62.309
bonds (distance) P-C4' energy: -66.670
flat angles C4'-P-C4' energy: -66.357
flat angles P-C4'-P energy: -34.643
tors. eta vs tors. theta energy: -12.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 217
Temperature: 1.350000
Total energy: -515.526292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.526292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.526292 (E_RNA)
where:
Base-Base interactions energy: -276.575
where: short stacking energy: -162.855
Base-Backbone interact. energy: 3.265
local terms energy: -242.216218
where:
bonds (distance) C4'-P energy: -55.899
bonds (distance) P-C4' energy: -75.339
flat angles C4'-P-C4' energy: -57.103
flat angles P-C4'-P energy: -39.024
tors. eta vs tors. theta energy: -14.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 218
Temperature: 0.900000
Total energy: -1413.391600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1413.391600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1413.391600 (E_RNA)
where:
Base-Base interactions energy: -988.602
where: short stacking energy: -386.800
Base-Backbone interact. energy: -0.540
local terms energy: -424.249370
where:
bonds (distance) C4'-P energy: -71.853
bonds (distance) P-C4' energy: -83.281
flat angles C4'-P-C4' energy: -92.887
flat angles P-C4'-P energy: -61.999
tors. eta vs tors. theta energy: -114.228
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: 2, replica: 9
=====================================
Write number: 218
Temperature: 0.950000
Total energy: -1289.038087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1289.038087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1289.038087 (E_RNA)
where:
Base-Base interactions energy: -891.692
where: short stacking energy: -391.227
Base-Backbone interact. energy: -2.777
local terms energy: -394.568850
where:
bonds (distance) C4'-P energy: -76.985
bonds (distance) P-C4' energy: -73.157
flat angles C4'-P-C4' energy: -85.204
flat angles P-C4'-P energy: -48.089
tors. eta vs tors. theta energy: -111.133
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: 5
=====================================
Write number: 218
Temperature: 1.000000
Total energy: -1257.406711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1257.406711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1257.406711 (E_RNA)
where:
Base-Base interactions energy: -854.426
where: short stacking energy: -366.211
Base-Backbone interact. energy: -0.098
local terms energy: -402.882639
where:
bonds (distance) C4'-P energy: -70.805
bonds (distance) P-C4' energy: -75.097
flat angles C4'-P-C4' energy: -84.563
flat angles P-C4'-P energy: -58.388
tors. eta vs tors. theta energy: -114.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 218
Temperature: 1.050000
Total energy: -1252.774661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1252.774661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1252.774661 (E_RNA)
where:
Base-Base interactions energy: -866.656
where: short stacking energy: -380.077
Base-Backbone interact. energy: 1.124
local terms energy: -387.242486
where:
bonds (distance) C4'-P energy: -77.747
bonds (distance) P-C4' energy: -74.493
flat angles C4'-P-C4' energy: -82.556
flat angles P-C4'-P energy: -46.166
tors. eta vs tors. theta energy: -106.281
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: 8
=====================================
Write number: 218
Temperature: 1.100000
Total energy: -1124.900142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1124.900142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1124.900142 (E_RNA)
where:
Base-Base interactions energy: -760.176
where: short stacking energy: -305.942
Base-Backbone interact. energy: 2.271
local terms energy: -366.994969
where:
bonds (distance) C4'-P energy: -67.835
bonds (distance) P-C4' energy: -81.889
flat angles C4'-P-C4' energy: -84.205
flat angles P-C4'-P energy: -44.385
tors. eta vs tors. theta energy: -88.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 218
Temperature: 1.150000
Total energy: -964.789877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -964.789877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -964.789877 (E_RNA)
where:
Base-Base interactions energy: -634.138
where: short stacking energy: -291.797
Base-Backbone interact. energy: 0.199
local terms energy: -330.850450
where:
bonds (distance) C4'-P energy: -58.740
bonds (distance) P-C4' energy: -77.509
flat angles C4'-P-C4' energy: -82.151
flat angles P-C4'-P energy: -42.963
tors. eta vs tors. theta energy: -69.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 218
Temperature: 1.200000
Total energy: -858.435327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -858.435327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -858.435327 (E_RNA)
where:
Base-Base interactions energy: -569.218
where: short stacking energy: -247.113
Base-Backbone interact. energy: 2.274
local terms energy: -291.491185
where:
bonds (distance) C4'-P energy: -55.673
bonds (distance) P-C4' energy: -75.045
flat angles C4'-P-C4' energy: -62.539
flat angles P-C4'-P energy: -49.462
tors. eta vs tors. theta energy: -48.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 218
Temperature: 1.250000
Total energy: -772.138863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -772.138863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -772.138863 (E_RNA)
where:
Base-Base interactions energy: -512.116
where: short stacking energy: -228.744
Base-Backbone interact. energy: 2.012
local terms energy: -262.035249
where:
bonds (distance) C4'-P energy: -61.667
bonds (distance) P-C4' energy: -56.632
flat angles C4'-P-C4' energy: -61.036
flat angles P-C4'-P energy: -44.192
tors. eta vs tors. theta energy: -38.509
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: 2
=====================================
Write number: 218
Temperature: 1.300000
Total energy: -554.401715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.401715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.401715 (E_RNA)
where:
Base-Base interactions energy: -301.646
where: short stacking energy: -148.429
Base-Backbone interact. energy: -0.829
local terms energy: -251.926705
where:
bonds (distance) C4'-P energy: -67.233
bonds (distance) P-C4' energy: -62.198
flat angles C4'-P-C4' energy: -67.019
flat angles P-C4'-P energy: -42.859
tors. eta vs tors. theta energy: -12.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 218
Temperature: 1.350000
Total energy: -560.125178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.125178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.125178 (E_RNA)
where:
Base-Base interactions energy: -315.920
where: short stacking energy: -152.394
Base-Backbone interact. energy: -2.158
local terms energy: -242.047561
where:
bonds (distance) C4'-P energy: -70.098
bonds (distance) P-C4' energy: -59.599
flat angles C4'-P-C4' energy: -64.913
flat angles P-C4'-P energy: -32.273
tors. eta vs tors. theta energy: -15.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 219
Temperature: 0.900000
Total energy: -1408.795906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1408.795906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1408.795906 (E_RNA)
where:
Base-Base interactions energy: -1007.137
where: short stacking energy: -388.354
Base-Backbone interact. energy: -1.117
local terms energy: -400.541316
where:
bonds (distance) C4'-P energy: -76.974
bonds (distance) P-C4' energy: -71.024
flat angles C4'-P-C4' energy: -83.267
flat angles P-C4'-P energy: -57.722
tors. eta vs tors. theta energy: -111.555
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: 2, replica: 5
=====================================
Write number: 219
Temperature: 0.950000
Total energy: -1305.543262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1305.543262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1305.543262 (E_RNA)
where:
Base-Base interactions energy: -891.309
where: short stacking energy: -401.355
Base-Backbone interact. energy: -1.118
local terms energy: -413.116856
where:
bonds (distance) C4'-P energy: -74.883
bonds (distance) P-C4' energy: -73.292
flat angles C4'-P-C4' energy: -91.165
flat angles P-C4'-P energy: -55.764
tors. eta vs tors. theta energy: -118.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 219
Temperature: 1.000000
Total energy: -1261.015349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1261.015349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1261.015349 (E_RNA)
where:
Base-Base interactions energy: -874.499
where: short stacking energy: -388.159
Base-Backbone interact. energy: -2.492
local terms energy: -384.024837
where:
bonds (distance) C4'-P energy: -75.696
bonds (distance) P-C4' energy: -65.824
flat angles C4'-P-C4' energy: -86.723
flat angles P-C4'-P energy: -47.057
tors. eta vs tors. theta energy: -108.725
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: 3
=====================================
Write number: 219
Temperature: 1.050000
Total energy: -1232.258214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1232.258214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1232.258214 (E_RNA)
where:
Base-Base interactions energy: -839.960
where: short stacking energy: -365.961
Base-Backbone interact. energy: -1.127
local terms energy: -391.171748
where:
bonds (distance) C4'-P energy: -58.863
bonds (distance) P-C4' energy: -83.402
flat angles C4'-P-C4' energy: -82.632
flat angles P-C4'-P energy: -59.702
tors. eta vs tors. theta energy: -106.574
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: 8
=====================================
Write number: 219
Temperature: 1.100000
Total energy: -1102.648724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1102.648724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1102.648724 (E_RNA)
where:
Base-Base interactions energy: -753.709
where: short stacking energy: -330.352
Base-Backbone interact. energy: -1.494
local terms energy: -347.445806
where:
bonds (distance) C4'-P energy: -71.851
bonds (distance) P-C4' energy: -73.778
flat angles C4'-P-C4' energy: -84.265
flat angles P-C4'-P energy: -35.197
tors. eta vs tors. theta energy: -82.354
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: 4
=====================================
Write number: 219
Temperature: 1.150000
Total energy: -969.546207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -969.546207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -969.546207 (E_RNA)
where:
Base-Base interactions energy: -616.727
where: short stacking energy: -263.751
Base-Backbone interact. energy: 1.244
local terms energy: -354.062533
where:
bonds (distance) C4'-P energy: -81.978
bonds (distance) P-C4' energy: -66.815
flat angles C4'-P-C4' energy: -85.266
flat angles P-C4'-P energy: -52.481
tors. eta vs tors. theta energy: -67.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 219
Temperature: 1.200000
Total energy: -818.791231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -818.791231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -818.791231 (E_RNA)
where:
Base-Base interactions energy: -527.281
where: short stacking energy: -233.759
Base-Backbone interact. energy: 3.902
local terms energy: -295.412367
where:
bonds (distance) C4'-P energy: -74.606
bonds (distance) P-C4' energy: -68.243
flat angles C4'-P-C4' energy: -59.088
flat angles P-C4'-P energy: -45.783
tors. eta vs tors. theta energy: -47.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 219
Temperature: 1.250000
Total energy: -721.031970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -721.031970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -721.031970 (E_RNA)
where:
Base-Base interactions energy: -459.986
where: short stacking energy: -198.774
Base-Backbone interact. energy: -2.295
local terms energy: -258.750688
where:
bonds (distance) C4'-P energy: -67.646
bonds (distance) P-C4' energy: -64.002
flat angles C4'-P-C4' energy: -57.602
flat angles P-C4'-P energy: -35.791
tors. eta vs tors. theta energy: -33.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 219
Temperature: 1.300000
Total energy: -558.610487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.610487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.610487 (E_RNA)
where:
Base-Base interactions energy: -303.029
where: short stacking energy: -144.004
Base-Backbone interact. energy: -1.721
local terms energy: -253.861263
where:
bonds (distance) C4'-P energy: -78.869
bonds (distance) P-C4' energy: -69.280
flat angles C4'-P-C4' energy: -53.840
flat angles P-C4'-P energy: -40.130
tors. eta vs tors. theta energy: -11.742
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: 10, replica: 6
=====================================
Write number: 219
Temperature: 1.350000
Total energy: -522.430143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.430143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.430143 (E_RNA)
where:
Base-Base interactions energy: -292.266
where: short stacking energy: -144.947
Base-Backbone interact. energy: 1.528
local terms energy: -231.692960
where:
bonds (distance) C4'-P energy: -58.237
bonds (distance) P-C4' energy: -68.117
flat angles C4'-P-C4' energy: -58.854
flat angles P-C4'-P energy: -34.383
tors. eta vs tors. theta energy: -12.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 220
Temperature: 0.900000
Total energy: -1415.603561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1415.603561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1415.603561 (E_RNA)
where:
Base-Base interactions energy: -1007.643
where: short stacking energy: -396.989
Base-Backbone interact. energy: -3.937
local terms energy: -404.023321
where:
bonds (distance) C4'-P energy: -67.043
bonds (distance) P-C4' energy: -82.689
flat angles C4'-P-C4' energy: -86.384
flat angles P-C4'-P energy: -55.769
tors. eta vs tors. theta energy: -112.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 220
Temperature: 0.950000
Total energy: -1302.631413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1302.631413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1302.631413 (E_RNA)
where:
Base-Base interactions energy: -890.081
where: short stacking energy: -386.060
Base-Backbone interact. energy: -1.910
local terms energy: -410.640300
where:
bonds (distance) C4'-P energy: -76.240
bonds (distance) P-C4' energy: -81.002
flat angles C4'-P-C4' energy: -86.287
flat angles P-C4'-P energy: -50.689
tors. eta vs tors. theta energy: -116.422
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: 3
=====================================
Write number: 220
Temperature: 1.000000
Total energy: -1279.859168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1279.859168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1279.859168 (E_RNA)
where:
Base-Base interactions energy: -878.717
where: short stacking energy: -399.436
Base-Backbone interact. energy: -1.151
local terms energy: -399.990866
where:
bonds (distance) C4'-P energy: -75.911
bonds (distance) P-C4' energy: -68.088
flat angles C4'-P-C4' energy: -80.298
flat angles P-C4'-P energy: -60.875
tors. eta vs tors. theta energy: -114.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 220
Temperature: 1.050000
Total energy: -1183.066714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1183.066714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1183.066714 (E_RNA)
where:
Base-Base interactions energy: -822.131
where: short stacking energy: -344.431
Base-Backbone interact. energy: -1.999
local terms energy: -358.936655
where:
bonds (distance) C4'-P energy: -67.949
bonds (distance) P-C4' energy: -59.815
flat angles C4'-P-C4' energy: -90.534
flat angles P-C4'-P energy: -49.382
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: 5, replica: 8
=====================================
Write number: 220
Temperature: 1.100000
Total energy: -1089.127311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1089.127311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1089.127311 (E_RNA)
where:
Base-Base interactions energy: -742.351
where: short stacking energy: -325.999
Base-Backbone interact. energy: -1.531
local terms energy: -345.245739
where:
bonds (distance) C4'-P energy: -64.879
bonds (distance) P-C4' energy: -73.547
flat angles C4'-P-C4' energy: -76.205
flat angles P-C4'-P energy: -50.567
tors. eta vs tors. theta energy: -80.047
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: 220
Temperature: 1.150000
Total energy: -988.215987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -988.215987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -988.215987 (E_RNA)
where:
Base-Base interactions energy: -680.551
where: short stacking energy: -295.947
Base-Backbone interact. energy: -3.516
local terms energy: -304.149437
where:
bonds (distance) C4'-P energy: -51.404
bonds (distance) P-C4' energy: -72.298
flat angles C4'-P-C4' energy: -69.574
flat angles P-C4'-P energy: -40.683
tors. eta vs tors. theta energy: -70.190
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: 7, replica: 10
=====================================
Write number: 220
Temperature: 1.200000
Total energy: -787.770577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -787.770577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -787.770577 (E_RNA)
where:
Base-Base interactions energy: -493.380
where: short stacking energy: -229.983
Base-Backbone interact. energy: -1.041
local terms energy: -293.349662
where:
bonds (distance) C4'-P energy: -71.454
bonds (distance) P-C4' energy: -76.968
flat angles C4'-P-C4' energy: -71.605
flat angles P-C4'-P energy: -24.460
tors. eta vs tors. theta energy: -48.863
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: 220
Temperature: 1.250000
Total energy: -770.755646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -770.755646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -770.755646 (E_RNA)
where:
Base-Base interactions energy: -513.139
where: short stacking energy: -220.573
Base-Backbone interact. energy: -2.000
local terms energy: -255.617074
where:
bonds (distance) C4'-P energy: -54.057
bonds (distance) P-C4' energy: -59.108
flat angles C4'-P-C4' energy: -67.562
flat angles P-C4'-P energy: -36.936
tors. eta vs tors. theta energy: -37.954
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: 2
=====================================
Write number: 220
Temperature: 1.300000
Total energy: -545.756521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.756521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.756521 (E_RNA)
where:
Base-Base interactions energy: -306.696
where: short stacking energy: -162.535
Base-Backbone interact. energy: 1.246
local terms energy: -240.305808
where:
bonds (distance) C4'-P energy: -67.062
bonds (distance) P-C4' energy: -53.757
flat angles C4'-P-C4' energy: -52.161
flat angles P-C4'-P energy: -44.969
tors. eta vs tors. theta energy: -22.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 220
Temperature: 1.350000
Total energy: -504.170519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.170519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.170519 (E_RNA)
where:
Base-Base interactions energy: -278.626
where: short stacking energy: -143.394
Base-Backbone interact. energy: 2.557
local terms energy: -228.102190
where:
bonds (distance) C4'-P energy: -61.426
bonds (distance) P-C4' energy: -79.304
flat angles C4'-P-C4' energy: -42.349
flat angles P-C4'-P energy: -37.382
tors. eta vs tors. theta energy: -7.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 221
Temperature: 0.900000
Total energy: -1400.411093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1400.411093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1400.411093 (E_RNA)
where:
Base-Base interactions energy: -982.848
where: short stacking energy: -407.662
Base-Backbone interact. energy: -1.630
local terms energy: -415.933255
where:
bonds (distance) C4'-P energy: -58.346
bonds (distance) P-C4' energy: -75.543
flat angles C4'-P-C4' energy: -99.596
flat angles P-C4'-P energy: -66.979
tors. eta vs tors. theta energy: -115.469
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: 5
=====================================
Write number: 221
Temperature: 0.950000
Total energy: -1293.051322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1293.051322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1293.051322 (E_RNA)
where:
Base-Base interactions energy: -881.963
where: short stacking energy: -370.930
Base-Backbone interact. energy: -0.479
local terms energy: -410.609564
where:
bonds (distance) C4'-P energy: -70.037
bonds (distance) P-C4' energy: -74.518
flat angles C4'-P-C4' energy: -86.944
flat angles P-C4'-P energy: -65.806
tors. eta vs tors. theta energy: -113.304
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: 221
Temperature: 1.000000
Total energy: -1282.939624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1282.939624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1282.939624 (E_RNA)
where:
Base-Base interactions energy: -882.375
where: short stacking energy: -391.996
Base-Backbone interact. energy: 0.301
local terms energy: -400.865888
where:
bonds (distance) C4'-P energy: -74.601
bonds (distance) P-C4' energy: -62.351
flat angles C4'-P-C4' energy: -91.866
flat angles P-C4'-P energy: -45.875
tors. eta vs tors. theta energy: -126.174
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: 4, replica: 9
=====================================
Write number: 221
Temperature: 1.050000
Total energy: -1211.577045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1211.577045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1211.577045 (E_RNA)
where:
Base-Base interactions energy: -811.131
where: short stacking energy: -338.759
Base-Backbone interact. energy: -1.303
local terms energy: -399.142636
where:
bonds (distance) C4'-P energy: -72.061
bonds (distance) P-C4' energy: -82.556
flat angles C4'-P-C4' energy: -88.088
flat angles P-C4'-P energy: -62.431
tors. eta vs tors. theta energy: -94.007
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: 221
Temperature: 1.100000
Total energy: -1133.307994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1133.307994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1133.307994 (E_RNA)
where:
Base-Base interactions energy: -780.914
where: short stacking energy: -342.856
Base-Backbone interact. energy: -1.242
local terms energy: -351.151793
where:
bonds (distance) C4'-P energy: -61.901
bonds (distance) P-C4' energy: -74.756
flat angles C4'-P-C4' energy: -75.922
flat angles P-C4'-P energy: -47.847
tors. eta vs tors. theta energy: -90.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 221
Temperature: 1.150000
Total energy: -972.151825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -972.151825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -972.151825 (E_RNA)
where:
Base-Base interactions energy: -648.718
where: short stacking energy: -279.065
Base-Backbone interact. energy: 1.757
local terms energy: -325.191110
where:
bonds (distance) C4'-P energy: -81.245
bonds (distance) P-C4' energy: -61.899
flat angles C4'-P-C4' energy: -73.359
flat angles P-C4'-P energy: -36.594
tors. eta vs tors. theta energy: -72.094
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: 10
=====================================
Write number: 221
Temperature: 1.200000
Total energy: -825.849335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -825.849335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -825.849335 (E_RNA)
where:
Base-Base interactions energy: -543.986
where: short stacking energy: -245.164
Base-Backbone interact. energy: 0.091
local terms energy: -281.953514
where:
bonds (distance) C4'-P energy: -71.491
bonds (distance) P-C4' energy: -62.435
flat angles C4'-P-C4' energy: -52.079
flat angles P-C4'-P energy: -39.492
tors. eta vs tors. theta energy: -56.456
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: 1
=====================================
Write number: 221
Temperature: 1.250000
Total energy: -710.332831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -710.332831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -710.332831 (E_RNA)
where:
Base-Base interactions energy: -430.758
where: short stacking energy: -198.292
Base-Backbone interact. energy: -1.583
local terms energy: -277.991325
where:
bonds (distance) C4'-P energy: -68.785
bonds (distance) P-C4' energy: -67.463
flat angles C4'-P-C4' energy: -71.673
flat angles P-C4'-P energy: -37.113
tors. eta vs tors. theta energy: -32.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 221
Temperature: 1.300000
Total energy: -544.317037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.317037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.317037 (E_RNA)
where:
Base-Base interactions energy: -340.115
where: short stacking energy: -183.735
Base-Backbone interact. energy: 2.438
local terms energy: -206.639990
where:
bonds (distance) C4'-P energy: -60.520
bonds (distance) P-C4' energy: -51.875
flat angles C4'-P-C4' energy: -52.304
flat angles P-C4'-P energy: -33.760
tors. eta vs tors. theta energy: -8.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 221
Temperature: 1.350000
Total energy: -493.669951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.669951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.669951 (E_RNA)
where:
Base-Base interactions energy: -269.932
where: short stacking energy: -148.038
Base-Backbone interact. energy: 0.644
local terms energy: -224.381626
where:
bonds (distance) C4'-P energy: -51.951
bonds (distance) P-C4' energy: -58.494
flat angles C4'-P-C4' energy: -63.931
flat angles P-C4'-P energy: -47.517
tors. eta vs tors. theta energy: -2.488
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: 222
Temperature: 0.900000
Total energy: -1410.575503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1410.575503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1410.575503 (E_RNA)
where:
Base-Base interactions energy: -992.216
where: short stacking energy: -429.421
Base-Backbone interact. energy: -0.995
local terms energy: -417.432025
where:
bonds (distance) C4'-P energy: -75.703
bonds (distance) P-C4' energy: -78.868
flat angles C4'-P-C4' energy: -89.459
flat angles P-C4'-P energy: -59.208
tors. eta vs tors. theta energy: -114.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.067 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 222
Temperature: 0.950000
Total energy: -1302.598261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1302.598261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1302.598261 (E_RNA)
where:
Base-Base interactions energy: -893.891
where: short stacking energy: -405.310
Base-Backbone interact. energy: -0.746
local terms energy: -407.961668
where:
bonds (distance) C4'-P energy: -75.658
bonds (distance) P-C4' energy: -80.084
flat angles C4'-P-C4' energy: -75.592
flat angles P-C4'-P energy: -58.747
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: 3, replica: 3
=====================================
Write number: 222
Temperature: 1.000000
Total energy: -1283.464110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1283.464110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1283.464110 (E_RNA)
where:
Base-Base interactions energy: -877.476
where: short stacking energy: -398.063
Base-Backbone interact. energy: -0.659
local terms energy: -405.328254
where:
bonds (distance) C4'-P energy: -77.387
bonds (distance) P-C4' energy: -73.296
flat angles C4'-P-C4' energy: -82.129
flat angles P-C4'-P energy: -47.256
tors. eta vs tors. theta energy: -125.259
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: 9
=====================================
Write number: 222
Temperature: 1.050000
Total energy: -1179.665009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1179.665009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1179.665009 (E_RNA)
where:
Base-Base interactions energy: -819.455
where: short stacking energy: -345.165
Base-Backbone interact. energy: 0.805
local terms energy: -361.014836
where:
bonds (distance) C4'-P energy: -61.815
bonds (distance) P-C4' energy: -70.812
flat angles C4'-P-C4' energy: -79.633
flat angles P-C4'-P energy: -60.539
tors. eta vs tors. theta energy: -88.216
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: 5, replica: 8
=====================================
Write number: 222
Temperature: 1.100000
Total energy: -1107.254045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1107.254045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1107.254045 (E_RNA)
where:
Base-Base interactions energy: -757.712
where: short stacking energy: -321.766
Base-Backbone interact. energy: 2.496
local terms energy: -352.038065
where:
bonds (distance) C4'-P energy: -59.751
bonds (distance) P-C4' energy: -69.336
flat angles C4'-P-C4' energy: -78.479
flat angles P-C4'-P energy: -59.200
tors. eta vs tors. theta energy: -85.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 222
Temperature: 1.150000
Total energy: -966.884568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -966.884568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -966.884568 (E_RNA)
where:
Base-Base interactions energy: -643.941
where: short stacking energy: -268.316
Base-Backbone interact. energy: -2.286
local terms energy: -320.658179
where:
bonds (distance) C4'-P energy: -72.463
bonds (distance) P-C4' energy: -74.619
flat angles C4'-P-C4' energy: -68.688
flat angles P-C4'-P energy: -49.864
tors. eta vs tors. theta energy: -55.025
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: 10
=====================================
Write number: 222
Temperature: 1.200000
Total energy: -858.931099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -858.931099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -858.931099 (E_RNA)
where:
Base-Base interactions energy: -558.303
where: short stacking energy: -256.191
Base-Backbone interact. energy: -0.594
local terms energy: -300.033998
where:
bonds (distance) C4'-P energy: -61.857
bonds (distance) P-C4' energy: -65.752
flat angles C4'-P-C4' energy: -68.577
flat angles P-C4'-P energy: -48.021
tors. eta vs tors. theta energy: -55.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 222
Temperature: 1.250000
Total energy: -634.698850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -634.698850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -634.698850 (E_RNA)
where:
Base-Base interactions energy: -377.531
where: short stacking energy: -181.849
Base-Backbone interact. energy: -2.505
local terms energy: -254.662755
where:
bonds (distance) C4'-P energy: -67.070
bonds (distance) P-C4' energy: -69.671
flat angles C4'-P-C4' energy: -69.935
flat angles P-C4'-P energy: -31.004
tors. eta vs tors. theta energy: -16.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 222
Temperature: 1.300000
Total energy: -556.275463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.275463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.275463 (E_RNA)
where:
Base-Base interactions energy: -315.413
where: short stacking energy: -153.469
Base-Backbone interact. energy: 4.619
local terms energy: -245.481543
where:
bonds (distance) C4'-P energy: -61.981
bonds (distance) P-C4' energy: -71.977
flat angles C4'-P-C4' energy: -62.853
flat angles P-C4'-P energy: -35.062
tors. eta vs tors. theta energy: -13.608
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: 10, replica: 2
=====================================
Write number: 222
Temperature: 1.350000
Total energy: -551.894967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.894967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.894967 (E_RNA)
where:
Base-Base interactions energy: -310.925
where: short stacking energy: -161.384
Base-Backbone interact. energy: 2.637
local terms energy: -243.606816
where:
bonds (distance) C4'-P energy: -55.156
bonds (distance) P-C4' energy: -72.033
flat angles C4'-P-C4' energy: -52.505
flat angles P-C4'-P energy: -37.981
tors. eta vs tors. theta energy: -25.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 223
Temperature: 0.900000
Total energy: -1395.236176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1395.236176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1395.236176 (E_RNA)
where:
Base-Base interactions energy: -974.113
where: short stacking energy: -400.473
Base-Backbone interact. energy: -0.636
local terms energy: -421.270672
where:
bonds (distance) C4'-P energy: -73.516
bonds (distance) P-C4' energy: -77.634
flat angles C4'-P-C4' energy: -89.675
flat angles P-C4'-P energy: -65.611
tors. eta vs tors. theta energy: -114.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.784 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 223
Temperature: 0.950000
Total energy: -1302.927184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1302.927184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1302.927184 (E_RNA)
where:
Base-Base interactions energy: -903.307
where: short stacking energy: -388.151
Base-Backbone interact. energy: -1.532
local terms energy: -398.088509
where:
bonds (distance) C4'-P energy: -58.943
bonds (distance) P-C4' energy: -74.324
flat angles C4'-P-C4' energy: -86.902
flat angles P-C4'-P energy: -62.594
tors. eta vs tors. theta energy: -115.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 223
Temperature: 1.000000
Total energy: -1265.765795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1265.765795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1265.765795 (E_RNA)
where:
Base-Base interactions energy: -853.592
where: short stacking energy: -374.153
Base-Backbone interact. energy: -2.080
local terms energy: -410.094179
where:
bonds (distance) C4'-P energy: -75.710
bonds (distance) P-C4' energy: -82.451
flat angles C4'-P-C4' energy: -89.053
flat angles P-C4'-P energy: -50.690
tors. eta vs tors. theta energy: -112.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 223
Temperature: 1.050000
Total energy: -1186.068714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1186.068714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1186.068714 (E_RNA)
where:
Base-Base interactions energy: -799.151
where: short stacking energy: -368.125
Base-Backbone interact. energy: -1.959
local terms energy: -384.958429
where:
bonds (distance) C4'-P energy: -67.912
bonds (distance) P-C4' energy: -72.594
flat angles C4'-P-C4' energy: -85.010
flat angles P-C4'-P energy: -52.731
tors. eta vs tors. theta energy: -106.712
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: 8
=====================================
Write number: 223
Temperature: 1.100000
Total energy: -1127.966613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1127.966613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1127.966613 (E_RNA)
where:
Base-Base interactions energy: -756.722
where: short stacking energy: -334.634
Base-Backbone interact. energy: -1.903
local terms energy: -369.341695
where:
bonds (distance) C4'-P energy: -65.786
bonds (distance) P-C4' energy: -65.513
flat angles C4'-P-C4' energy: -85.801
flat angles P-C4'-P energy: -53.779
tors. eta vs tors. theta energy: -98.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 223
Temperature: 1.150000
Total energy: -1055.994653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1055.994653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1055.994653 (E_RNA)
where:
Base-Base interactions energy: -695.972
where: short stacking energy: -293.258
Base-Backbone interact. energy: 2.291
local terms energy: -362.313927
where:
bonds (distance) C4'-P energy: -70.426
bonds (distance) P-C4' energy: -81.512
flat angles C4'-P-C4' energy: -70.159
flat angles P-C4'-P energy: -61.163
tors. eta vs tors. theta energy: -79.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 223
Temperature: 1.200000
Total energy: -875.937425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -875.937425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -875.937425 (E_RNA)
where:
Base-Base interactions energy: -579.493
where: short stacking energy: -245.857
Base-Backbone interact. energy: -2.597
local terms energy: -293.846953
where:
bonds (distance) C4'-P energy: -70.500
bonds (distance) P-C4' energy: -78.882
flat angles C4'-P-C4' energy: -66.500
flat angles P-C4'-P energy: -31.402
tors. eta vs tors. theta energy: -46.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 223
Temperature: 1.250000
Total energy: -672.302011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -672.302011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -672.302011 (E_RNA)
where:
Base-Base interactions energy: -396.283
where: short stacking energy: -197.660
Base-Backbone interact. energy: 2.727
local terms energy: -278.745512
where:
bonds (distance) C4'-P energy: -57.868
bonds (distance) P-C4' energy: -67.665
flat angles C4'-P-C4' energy: -63.455
flat angles P-C4'-P energy: -45.409
tors. eta vs tors. theta energy: -44.348
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: 9, replica: 6
=====================================
Write number: 223
Temperature: 1.300000
Total energy: -593.767344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -593.767344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -593.767344 (E_RNA)
where:
Base-Base interactions energy: -349.872
where: short stacking energy: -191.808
Base-Backbone interact. energy: 2.691
local terms energy: -246.586178
where:
bonds (distance) C4'-P energy: -53.807
bonds (distance) P-C4' energy: -72.922
flat angles C4'-P-C4' energy: -56.048
flat angles P-C4'-P energy: -45.429
tors. eta vs tors. theta energy: -18.380
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: 2
=====================================
Write number: 223
Temperature: 1.350000
Total energy: -542.348997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.348997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.348997 (E_RNA)
where:
Base-Base interactions energy: -312.096
where: short stacking energy: -174.190
Base-Backbone interact. energy: 1.286
local terms energy: -231.539177
where:
bonds (distance) C4'-P energy: -54.775
bonds (distance) P-C4' energy: -63.166
flat angles C4'-P-C4' energy: -59.907
flat angles P-C4'-P energy: -24.325
tors. eta vs tors. theta energy: -29.367
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: 7
=====================================
Write number: 224
Temperature: 0.900000
Total energy: -1402.195294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1402.195294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1402.195294 (E_RNA)
where:
Base-Base interactions energy: -979.812
where: short stacking energy: -403.042
Base-Backbone interact. energy: -3.145
local terms energy: -419.798065
where:
bonds (distance) C4'-P energy: -79.992
bonds (distance) P-C4' energy: -81.963
flat angles C4'-P-C4' energy: -82.342
flat angles P-C4'-P energy: -62.822
tors. eta vs tors. theta energy: -112.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.559 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 224
Temperature: 0.950000
Total energy: -1306.030390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1306.030390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1306.030390 (E_RNA)
where:
Base-Base interactions energy: -896.916
where: short stacking energy: -384.361
Base-Backbone interact. energy: -2.533
local terms energy: -406.582254
where:
bonds (distance) C4'-P energy: -77.437
bonds (distance) P-C4' energy: -75.936
flat angles C4'-P-C4' energy: -88.484
flat angles P-C4'-P energy: -53.387
tors. eta vs tors. theta energy: -111.338
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: 3
=====================================
Write number: 224
Temperature: 1.000000
Total energy: -1260.441286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1260.441286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1260.441286 (E_RNA)
where:
Base-Base interactions energy: -866.298
where: short stacking energy: -371.289
Base-Backbone interact. energy: -1.674
local terms energy: -392.469009
where:
bonds (distance) C4'-P energy: -78.426
bonds (distance) P-C4' energy: -69.002
flat angles C4'-P-C4' energy: -80.099
flat angles P-C4'-P energy: -55.749
tors. eta vs tors. theta energy: -109.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 224
Temperature: 1.050000
Total energy: -1174.380874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1174.380874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1174.380874 (E_RNA)
where:
Base-Base interactions energy: -794.958
where: short stacking energy: -338.772
Base-Backbone interact. energy: -3.843
local terms energy: -375.579503
where:
bonds (distance) C4'-P energy: -62.383
bonds (distance) P-C4' energy: -74.519
flat angles C4'-P-C4' energy: -82.606
flat angles P-C4'-P energy: -63.838
tors. eta vs tors. theta energy: -92.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 224
Temperature: 1.100000
Total energy: -1094.354456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1094.354456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1094.354456 (E_RNA)
where:
Base-Base interactions energy: -727.914
where: short stacking energy: -343.403
Base-Backbone interact. energy: 1.520
local terms energy: -367.960585
where:
bonds (distance) C4'-P energy: -63.738
bonds (distance) P-C4' energy: -79.978
flat angles C4'-P-C4' energy: -79.070
flat angles P-C4'-P energy: -55.271
tors. eta vs tors. theta energy: -89.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 224
Temperature: 1.150000
Total energy: -1093.792475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1093.792475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1093.792475 (E_RNA)
where:
Base-Base interactions energy: -750.732
where: short stacking energy: -323.548
Base-Backbone interact. energy: -0.912
local terms energy: -342.148414
where:
bonds (distance) C4'-P energy: -70.798
bonds (distance) P-C4' energy: -77.895
flat angles C4'-P-C4' energy: -69.082
flat angles P-C4'-P energy: -45.261
tors. eta vs tors. theta energy: -79.113
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: 7, replica: 10
=====================================
Write number: 224
Temperature: 1.200000
Total energy: -899.692804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -899.692804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -899.692804 (E_RNA)
where:
Base-Base interactions energy: -587.027
where: short stacking energy: -245.776
Base-Backbone interact. energy: -1.245
local terms energy: -311.421335
where:
bonds (distance) C4'-P energy: -60.892
bonds (distance) P-C4' energy: -66.964
flat angles C4'-P-C4' energy: -80.486
flat angles P-C4'-P energy: -46.462
tors. eta vs tors. theta energy: -56.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 224
Temperature: 1.250000
Total energy: -683.979907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -683.979907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -683.979907 (E_RNA)
where:
Base-Base interactions energy: -431.689
where: short stacking energy: -189.046
Base-Backbone interact. energy: -2.331
local terms energy: -249.959979
where:
bonds (distance) C4'-P energy: -56.067
bonds (distance) P-C4' energy: -63.154
flat angles C4'-P-C4' energy: -58.469
flat angles P-C4'-P energy: -40.896
tors. eta vs tors. theta energy: -31.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 224
Temperature: 1.300000
Total energy: -602.023685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -602.023685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -602.023685 (E_RNA)
where:
Base-Base interactions energy: -355.260
where: short stacking energy: -161.323
Base-Backbone interact. energy: -2.396
local terms energy: -244.368030
where:
bonds (distance) C4'-P energy: -48.273
bonds (distance) P-C4' energy: -73.484
flat angles C4'-P-C4' energy: -60.973
flat angles P-C4'-P energy: -46.087
tors. eta vs tors. theta energy: -15.551
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: 10, replica: 2
=====================================
Write number: 224
Temperature: 1.350000
Total energy: -511.570168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.570168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.570168 (E_RNA)
where:
Base-Base interactions energy: -298.662
where: short stacking energy: -153.353
Base-Backbone interact. energy: -1.436
local terms energy: -211.472917
where:
bonds (distance) C4'-P energy: -45.995
bonds (distance) P-C4' energy: -72.410
flat angles C4'-P-C4' energy: -46.316
flat angles P-C4'-P energy: -28.715
tors. eta vs tors. theta energy: -18.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 225
Temperature: 0.900000
Total energy: -1429.037791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1429.037791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1429.037791 (E_RNA)
where:
Base-Base interactions energy: -1008.099
where: short stacking energy: -432.107
Base-Backbone interact. energy: -0.401
local terms energy: -420.538467
where:
bonds (distance) C4'-P energy: -70.769
bonds (distance) P-C4' energy: -71.507
flat angles C4'-P-C4' energy: -96.159
flat angles P-C4'-P energy: -61.664
tors. eta vs tors. theta energy: -120.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 225
Temperature: 0.950000
Total energy: -1306.326409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1306.326409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1306.326409 (E_RNA)
where:
Base-Base interactions energy: -907.149
where: short stacking energy: -397.745
Base-Backbone interact. energy: 2.730
local terms energy: -401.907534
where:
bonds (distance) C4'-P energy: -67.425
bonds (distance) P-C4' energy: -77.806
flat angles C4'-P-C4' energy: -88.913
flat angles P-C4'-P energy: -53.327
tors. eta vs tors. theta energy: -114.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 225
Temperature: 1.000000
Total energy: -1270.369189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1270.369189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1270.369189 (E_RNA)
where:
Base-Base interactions energy: -882.087
where: short stacking energy: -382.252
Base-Backbone interact. energy: -0.446
local terms energy: -387.836213
where:
bonds (distance) C4'-P energy: -74.106
bonds (distance) P-C4' energy: -63.452
flat angles C4'-P-C4' energy: -85.371
flat angles P-C4'-P energy: -59.286
tors. eta vs tors. theta energy: -105.621
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: 9
=====================================
Write number: 225
Temperature: 1.050000
Total energy: -1165.025363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1165.025363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1165.025363 (E_RNA)
where:
Base-Base interactions energy: -813.562
where: short stacking energy: -355.384
Base-Backbone interact. energy: -1.214
local terms energy: -350.248846
where:
bonds (distance) C4'-P energy: -64.648
bonds (distance) P-C4' energy: -73.639
flat angles C4'-P-C4' energy: -73.133
flat angles P-C4'-P energy: -42.322
tors. eta vs tors. theta energy: -96.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 225
Temperature: 1.100000
Total energy: -1067.149723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1067.149723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1067.149723 (E_RNA)
where:
Base-Base interactions energy: -709.104
where: short stacking energy: -313.247
Base-Backbone interact. energy: 1.414
local terms energy: -359.459344
where:
bonds (distance) C4'-P energy: -73.479
bonds (distance) P-C4' energy: -78.416
flat angles C4'-P-C4' energy: -81.961
flat angles P-C4'-P energy: -47.444
tors. eta vs tors. theta energy: -78.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 225
Temperature: 1.150000
Total energy: -1069.012148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1069.012148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1069.012148 (E_RNA)
where:
Base-Base interactions energy: -738.755
where: short stacking energy: -314.526
Base-Backbone interact. energy: 3.547
local terms energy: -333.804663
where:
bonds (distance) C4'-P energy: -60.875
bonds (distance) P-C4' energy: -66.766
flat angles C4'-P-C4' energy: -69.913
flat angles P-C4'-P energy: -56.592
tors. eta vs tors. theta energy: -79.659
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: 7, replica: 10
=====================================
Write number: 225
Temperature: 1.200000
Total energy: -873.838397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -873.838397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -873.838397 (E_RNA)
where:
Base-Base interactions energy: -583.636
where: short stacking energy: -253.674
Base-Backbone interact. energy: 2.650
local terms energy: -292.851872
where:
bonds (distance) C4'-P energy: -70.595
bonds (distance) P-C4' energy: -77.804
flat angles C4'-P-C4' energy: -65.848
flat angles P-C4'-P energy: -39.155
tors. eta vs tors. theta energy: -39.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 225
Temperature: 1.250000
Total energy: -659.973698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -659.973698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -659.973698 (E_RNA)
where:
Base-Base interactions energy: -393.790
where: short stacking energy: -192.026
Base-Backbone interact. energy: 5.868
local terms energy: -272.051247
where:
bonds (distance) C4'-P energy: -61.330
bonds (distance) P-C4' energy: -74.708
flat angles C4'-P-C4' energy: -63.113
flat angles P-C4'-P energy: -49.587
tors. eta vs tors. theta energy: -23.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 225
Temperature: 1.300000
Total energy: -580.051004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -580.051004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -580.051004 (E_RNA)
where:
Base-Base interactions energy: -329.147
where: short stacking energy: -163.816
Base-Backbone interact. energy: 2.497
local terms energy: -253.401020
where:
bonds (distance) C4'-P energy: -66.992
bonds (distance) P-C4' energy: -59.366
flat angles C4'-P-C4' energy: -71.604
flat angles P-C4'-P energy: -34.467
tors. eta vs tors. theta energy: -20.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 225
Temperature: 1.350000
Total energy: -470.678799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.678799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.678799 (E_RNA)
where:
Base-Base interactions energy: -244.603
where: short stacking energy: -121.556
Base-Backbone interact. energy: 1.221
local terms energy: -227.297367
where:
bonds (distance) C4'-P energy: -58.680
bonds (distance) P-C4' energy: -58.096
flat angles C4'-P-C4' energy: -73.911
flat angles P-C4'-P energy: -40.470
tors. eta vs tors. theta energy: 3.859
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: 7
=====================================
Write number: 226
Temperature: 0.900000
Total energy: -1405.127254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1405.127254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1405.127254 (E_RNA)
where:
Base-Base interactions energy: -980.126
where: short stacking energy: -405.460
Base-Backbone interact. energy: -1.549
local terms energy: -425.236034
where:
bonds (distance) C4'-P energy: -86.430
bonds (distance) P-C4' energy: -77.134
flat angles C4'-P-C4' energy: -92.677
flat angles P-C4'-P energy: -54.675
tors. eta vs tors. theta energy: -114.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.784 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 226
Temperature: 0.950000
Total energy: -1303.034757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1303.034757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1303.034757 (E_RNA)
where:
Base-Base interactions energy: -899.570
where: short stacking energy: -399.955
Base-Backbone interact. energy: -0.766
local terms energy: -402.699070
where:
bonds (distance) C4'-P energy: -81.871
bonds (distance) P-C4' energy: -71.886
flat angles C4'-P-C4' energy: -84.491
flat angles P-C4'-P energy: -36.305
tors. eta vs tors. theta energy: -128.146
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: 5
=====================================
Write number: 226
Temperature: 1.000000
Total energy: -1258.609295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1258.609295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1258.609295 (E_RNA)
where:
Base-Base interactions energy: -870.926
where: short stacking energy: -376.347
Base-Backbone interact. energy: -2.073
local terms energy: -385.610747
where:
bonds (distance) C4'-P energy: -70.128
bonds (distance) P-C4' energy: -71.724
flat angles C4'-P-C4' energy: -83.600
flat angles P-C4'-P energy: -50.741
tors. eta vs tors. theta energy: -109.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 226
Temperature: 1.050000
Total energy: -1196.098505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1196.098505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1196.098505 (E_RNA)
where:
Base-Base interactions energy: -820.157
where: short stacking energy: -343.476
Base-Backbone interact. energy: -1.467
local terms energy: -374.474392
where:
bonds (distance) C4'-P energy: -65.657
bonds (distance) P-C4' energy: -86.521
flat angles C4'-P-C4' energy: -82.559
flat angles P-C4'-P energy: -40.157
tors. eta vs tors. theta energy: -99.580
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: 8
=====================================
Write number: 226
Temperature: 1.100000
Total energy: -1108.373209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1108.373209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1108.373209 (E_RNA)
where:
Base-Base interactions energy: -733.361
where: short stacking energy: -343.104
Base-Backbone interact. energy: 0.823
local terms energy: -375.835155
where:
bonds (distance) C4'-P energy: -69.344
bonds (distance) P-C4' energy: -69.116
flat angles C4'-P-C4' energy: -82.980
flat angles P-C4'-P energy: -45.550
tors. eta vs tors. theta energy: -108.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 226
Temperature: 1.150000
Total energy: -1028.132928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1028.132928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1028.132928 (E_RNA)
where:
Base-Base interactions energy: -702.827
where: short stacking energy: -292.667
Base-Backbone interact. energy: -0.232
local terms energy: -325.074071
where:
bonds (distance) C4'-P energy: -71.770
bonds (distance) P-C4' energy: -57.253
flat angles C4'-P-C4' energy: -70.828
flat angles P-C4'-P energy: -51.895
tors. eta vs tors. theta energy: -73.328
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: 10
=====================================
Write number: 226
Temperature: 1.200000
Total energy: -910.418697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -910.418697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -910.418697 (E_RNA)
where:
Base-Base interactions energy: -638.137
where: short stacking energy: -266.224
Base-Backbone interact. energy: -2.165
local terms energy: -270.116510
where:
bonds (distance) C4'-P energy: -30.771
bonds (distance) P-C4' energy: -68.716
flat angles C4'-P-C4' energy: -66.573
flat angles P-C4'-P energy: -46.414
tors. eta vs tors. theta energy: -57.643
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: 1
=====================================
Write number: 226
Temperature: 1.250000
Total energy: -679.733234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -679.733234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -679.733234 (E_RNA)
where:
Base-Base interactions energy: -412.892
where: short stacking energy: -196.892
Base-Backbone interact. energy: 0.746
local terms energy: -267.587066
where:
bonds (distance) C4'-P energy: -71.351
bonds (distance) P-C4' energy: -62.926
flat angles C4'-P-C4' energy: -60.987
flat angles P-C4'-P energy: -40.944
tors. eta vs tors. theta energy: -31.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 226
Temperature: 1.300000
Total energy: -571.499521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -571.499521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -571.499521 (E_RNA)
where:
Base-Base interactions energy: -295.290
where: short stacking energy: -140.904
Base-Backbone interact. energy: 2.547
local terms energy: -278.756131
where:
bonds (distance) C4'-P energy: -72.561
bonds (distance) P-C4' energy: -78.286
flat angles C4'-P-C4' energy: -70.369
flat angles P-C4'-P energy: -40.290
tors. eta vs tors. theta energy: -17.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 226
Temperature: 1.350000
Total energy: -479.399968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.399968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.399968 (E_RNA)
where:
Base-Base interactions energy: -245.284
where: short stacking energy: -126.920
Base-Backbone interact. energy: 0.951
local terms energy: -235.067203
where:
bonds (distance) C4'-P energy: -71.680
bonds (distance) P-C4' energy: -58.358
flat angles C4'-P-C4' energy: -54.787
flat angles P-C4'-P energy: -38.512
tors. eta vs tors. theta energy: -11.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 227
Temperature: 0.900000
Total energy: -1410.975435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1410.975435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1410.975435 (E_RNA)
where:
Base-Base interactions energy: -1002.596
where: short stacking energy: -409.013
Base-Backbone interact. energy: -1.100
local terms energy: -407.279768
where:
bonds (distance) C4'-P energy: -69.150
bonds (distance) P-C4' energy: -78.234
flat angles C4'-P-C4' energy: -88.714
flat angles P-C4'-P energy: -57.696
tors. eta vs tors. theta energy: -113.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 227
Temperature: 0.950000
Total energy: -1312.375749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1312.375749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1312.375749 (E_RNA)
where:
Base-Base interactions energy: -896.365
where: short stacking energy: -410.982
Base-Backbone interact. energy: -1.140
local terms energy: -414.871024
where:
bonds (distance) C4'-P energy: -76.475
bonds (distance) P-C4' energy: -74.874
flat angles C4'-P-C4' energy: -86.581
flat angles P-C4'-P energy: -57.697
tors. eta vs tors. theta energy: -119.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 227
Temperature: 1.000000
Total energy: -1277.880160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1277.880160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1277.880160 (E_RNA)
where:
Base-Base interactions energy: -854.379
where: short stacking energy: -401.195
Base-Backbone interact. energy: -0.343
local terms energy: -423.158292
where:
bonds (distance) C4'-P energy: -82.414
bonds (distance) P-C4' energy: -83.487
flat angles C4'-P-C4' energy: -82.888
flat angles P-C4'-P energy: -59.975
tors. eta vs tors. theta energy: -114.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 227
Temperature: 1.050000
Total energy: -1189.313391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1189.313391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1189.313391 (E_RNA)
where:
Base-Base interactions energy: -788.640
where: short stacking energy: -354.508
Base-Backbone interact. energy: -1.146
local terms energy: -399.526771
where:
bonds (distance) C4'-P energy: -72.261
bonds (distance) P-C4' energy: -77.668
flat angles C4'-P-C4' energy: -86.362
flat angles P-C4'-P energy: -56.075
tors. eta vs tors. theta energy: -107.161
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: 9
=====================================
Write number: 227
Temperature: 1.100000
Total energy: -1174.292119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1174.292119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1174.292119 (E_RNA)
where:
Base-Base interactions energy: -782.128
where: short stacking energy: -354.022
Base-Backbone interact. energy: -1.725
local terms energy: -390.438817
where:
bonds (distance) C4'-P energy: -73.607
bonds (distance) P-C4' energy: -83.620
flat angles C4'-P-C4' energy: -77.694
flat angles P-C4'-P energy: -53.603
tors. eta vs tors. theta energy: -101.914
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: 6, replica: 4
=====================================
Write number: 227
Temperature: 1.150000
Total energy: -1058.895800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1058.895800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1058.895800 (E_RNA)
where:
Base-Base interactions energy: -710.743
where: short stacking energy: -298.381
Base-Backbone interact. energy: -3.293
local terms energy: -344.859157
where:
bonds (distance) C4'-P energy: -70.061
bonds (distance) P-C4' energy: -77.515
flat angles C4'-P-C4' energy: -61.873
flat angles P-C4'-P energy: -56.756
tors. eta vs tors. theta energy: -78.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 227
Temperature: 1.200000
Total energy: -890.021503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -890.021503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -890.021503 (E_RNA)
where:
Base-Base interactions energy: -583.097
where: short stacking energy: -255.304
Base-Backbone interact. energy: -1.501
local terms energy: -305.423323
where:
bonds (distance) C4'-P energy: -57.172
bonds (distance) P-C4' energy: -80.108
flat angles C4'-P-C4' energy: -80.027
flat angles P-C4'-P energy: -35.204
tors. eta vs tors. theta energy: -52.913
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: 8, replica: 1
=====================================
Write number: 227
Temperature: 1.250000
Total energy: -669.286320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -669.286320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -669.286320 (E_RNA)
where:
Base-Base interactions energy: -395.154
where: short stacking energy: -188.249
Base-Backbone interact. energy: -2.738
local terms energy: -271.394408
where:
bonds (distance) C4'-P energy: -63.295
bonds (distance) P-C4' energy: -69.933
flat angles C4'-P-C4' energy: -57.130
flat angles P-C4'-P energy: -41.424
tors. eta vs tors. theta energy: -39.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 227
Temperature: 1.300000
Total energy: -638.915757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -638.915757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -638.915757 (E_RNA)
where:
Base-Base interactions energy: -402.864
where: short stacking energy: -175.485
Base-Backbone interact. energy: 0.148
local terms energy: -236.198981
where:
bonds (distance) C4'-P energy: -67.910
bonds (distance) P-C4' energy: -65.549
flat angles C4'-P-C4' energy: -59.605
flat angles P-C4'-P energy: -26.319
tors. eta vs tors. theta energy: -16.816
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: 2
=====================================
Write number: 227
Temperature: 1.350000
Total energy: -516.762777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.762777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.762777 (E_RNA)
where:
Base-Base interactions energy: -263.141
where: short stacking energy: -148.101
Base-Backbone interact. energy: 0.919
local terms energy: -254.540992
where:
bonds (distance) C4'-P energy: -53.324
bonds (distance) P-C4' energy: -78.266
flat angles C4'-P-C4' energy: -60.351
flat angles P-C4'-P energy: -39.491
tors. eta vs tors. theta energy: -23.109
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: 1, replica: 7
=====================================
Write number: 228
Temperature: 0.900000
Total energy: -1397.431950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1397.431950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1397.431950 (E_RNA)
where:
Base-Base interactions energy: -980.119
where: short stacking energy: -393.282
Base-Backbone interact. energy: -1.831
local terms energy: -415.482099
where:
bonds (distance) C4'-P energy: -75.931
bonds (distance) P-C4' energy: -77.288
flat angles C4'-P-C4' energy: -90.994
flat angles P-C4'-P energy: -63.902
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: 2, replica: 5
=====================================
Write number: 228
Temperature: 0.950000
Total energy: -1337.568836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1337.568836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1337.568836 (E_RNA)
where:
Base-Base interactions energy: -903.650
where: short stacking energy: -399.744
Base-Backbone interact. energy: -4.689
local terms energy: -429.229914
where:
bonds (distance) C4'-P energy: -76.990
bonds (distance) P-C4' energy: -85.339
flat angles C4'-P-C4' energy: -86.494
flat angles P-C4'-P energy: -55.872
tors. eta vs tors. theta energy: -124.535
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: 3
=====================================
Write number: 228
Temperature: 1.000000
Total energy: -1252.007099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1252.007099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1252.007099 (E_RNA)
where:
Base-Base interactions energy: -862.083
where: short stacking energy: -395.668
Base-Backbone interact. energy: -1.808
local terms energy: -388.116163
where:
bonds (distance) C4'-P energy: -77.637
bonds (distance) P-C4' energy: -69.442
flat angles C4'-P-C4' energy: -79.053
flat angles P-C4'-P energy: -52.223
tors. eta vs tors. theta energy: -109.761
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: 8
=====================================
Write number: 228
Temperature: 1.050000
Total energy: -1171.203658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1171.203658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1171.203658 (E_RNA)
where:
Base-Base interactions energy: -775.175
where: short stacking energy: -354.616
Base-Backbone interact. energy: -1.001
local terms energy: -395.028063
where:
bonds (distance) C4'-P energy: -66.172
bonds (distance) P-C4' energy: -73.594
flat angles C4'-P-C4' energy: -83.557
flat angles P-C4'-P energy: -63.881
tors. eta vs tors. theta energy: -107.824
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: 9
=====================================
Write number: 228
Temperature: 1.100000
Total energy: -1198.952403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1198.952403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1198.952403 (E_RNA)
where:
Base-Base interactions energy: -822.926
where: short stacking energy: -351.755
Base-Backbone interact. energy: -1.379
local terms energy: -374.647075
where:
bonds (distance) C4'-P energy: -66.146
bonds (distance) P-C4' energy: -73.100
flat angles C4'-P-C4' energy: -79.692
flat angles P-C4'-P energy: -49.560
tors. eta vs tors. theta energy: -106.150
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: 6, replica: 4
=====================================
Write number: 228
Temperature: 1.150000
Total energy: -1004.746652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1004.746652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1004.746652 (E_RNA)
where:
Base-Base interactions energy: -699.152
where: short stacking energy: -286.829
Base-Backbone interact. energy: -0.983
local terms energy: -304.611345
where:
bonds (distance) C4'-P energy: -58.235
bonds (distance) P-C4' energy: -63.300
flat angles C4'-P-C4' energy: -72.297
flat angles P-C4'-P energy: -45.707
tors. eta vs tors. theta energy: -65.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 228
Temperature: 1.200000
Total energy: -914.428679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -914.428679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -914.428679 (E_RNA)
where:
Base-Base interactions energy: -605.324
where: short stacking energy: -263.743
Base-Backbone interact. energy: -3.454
local terms energy: -305.650572
where:
bonds (distance) C4'-P energy: -62.154
bonds (distance) P-C4' energy: -75.090
flat angles C4'-P-C4' energy: -67.310
flat angles P-C4'-P energy: -41.232
tors. eta vs tors. theta energy: -59.864
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: 1
=====================================
Write number: 228
Temperature: 1.250000
Total energy: -692.221234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -692.221234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -692.221234 (E_RNA)
where:
Base-Base interactions energy: -427.636
where: short stacking energy: -193.271
Base-Backbone interact. energy: 2.740
local terms energy: -267.325753
where:
bonds (distance) C4'-P energy: -69.465
bonds (distance) P-C4' energy: -73.076
flat angles C4'-P-C4' energy: -66.504
flat angles P-C4'-P energy: -33.505
tors. eta vs tors. theta energy: -24.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 228
Temperature: 1.300000
Total energy: -645.353771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -645.353771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -645.353771 (E_RNA)
where:
Base-Base interactions energy: -396.137
where: short stacking energy: -196.907
Base-Backbone interact. energy: -0.500
local terms energy: -248.716245
where:
bonds (distance) C4'-P energy: -57.674
bonds (distance) P-C4' energy: -72.427
flat angles C4'-P-C4' energy: -49.310
flat angles P-C4'-P energy: -43.118
tors. eta vs tors. theta energy: -26.188
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: 2
=====================================
Write number: 228
Temperature: 1.350000
Total energy: -486.300029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.300029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.300029 (E_RNA)
where:
Base-Base interactions energy: -246.934
where: short stacking energy: -114.994
Base-Backbone interact. energy: -0.090
local terms energy: -239.276140
where:
bonds (distance) C4'-P energy: -65.758
bonds (distance) P-C4' energy: -65.901
flat angles C4'-P-C4' energy: -59.222
flat angles P-C4'-P energy: -33.285
tors. eta vs tors. theta energy: -15.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 229
Temperature: 0.900000
Total energy: -1391.967520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1391.967520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1391.967520 (E_RNA)
where:
Base-Base interactions energy: -967.490
where: short stacking energy: -385.120
Base-Backbone interact. energy: -1.987
local terms energy: -422.490278
where:
bonds (distance) C4'-P energy: -80.286
bonds (distance) P-C4' energy: -83.140
flat angles C4'-P-C4' energy: -87.380
flat angles P-C4'-P energy: -56.734
tors. eta vs tors. theta energy: -114.950
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: 5
=====================================
Write number: 229
Temperature: 0.950000
Total energy: -1311.264213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1311.264213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1311.264213 (E_RNA)
where:
Base-Base interactions energy: -876.284
where: short stacking energy: -403.279
Base-Backbone interact. energy: -3.777
local terms energy: -431.203310
where:
bonds (distance) C4'-P energy: -79.505
bonds (distance) P-C4' energy: -73.846
flat angles C4'-P-C4' energy: -95.818
flat angles P-C4'-P energy: -55.027
tors. eta vs tors. theta energy: -127.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 229
Temperature: 1.000000
Total energy: -1271.813211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1271.813211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1271.813211 (E_RNA)
where:
Base-Base interactions energy: -873.193
where: short stacking energy: -398.348
Base-Backbone interact. energy: -0.543
local terms energy: -398.076875
where:
bonds (distance) C4'-P energy: -76.080
bonds (distance) P-C4' energy: -74.681
flat angles C4'-P-C4' energy: -84.442
flat angles P-C4'-P energy: -47.155
tors. eta vs tors. theta energy: -115.719
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: 4, replica: 8
=====================================
Write number: 229
Temperature: 1.050000
Total energy: -1184.857824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1184.857824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1184.857824 (E_RNA)
where:
Base-Base interactions energy: -807.353
where: short stacking energy: -340.629
Base-Backbone interact. energy: -1.265
local terms energy: -376.239660
where:
bonds (distance) C4'-P energy: -64.769
bonds (distance) P-C4' energy: -71.047
flat angles C4'-P-C4' energy: -83.141
flat angles P-C4'-P energy: -55.990
tors. eta vs tors. theta energy: -101.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 229
Temperature: 1.100000
Total energy: -1202.352426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1202.352426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1202.352426 (E_RNA)
where:
Base-Base interactions energy: -826.501
where: short stacking energy: -365.569
Base-Backbone interact. energy: -1.063
local terms energy: -374.788501
where:
bonds (distance) C4'-P energy: -70.577
bonds (distance) P-C4' energy: -72.643
flat angles C4'-P-C4' energy: -80.631
flat angles P-C4'-P energy: -40.429
tors. eta vs tors. theta energy: -110.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 229
Temperature: 1.150000
Total energy: -1023.727026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1023.727026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1023.727026 (E_RNA)
where:
Base-Base interactions energy: -698.534
where: short stacking energy: -269.845
Base-Backbone interact. energy: -0.668
local terms energy: -324.525523
where:
bonds (distance) C4'-P energy: -66.494
bonds (distance) P-C4' energy: -69.875
flat angles C4'-P-C4' energy: -77.334
flat angles P-C4'-P energy: -44.354
tors. eta vs tors. theta energy: -66.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 229
Temperature: 1.200000
Total energy: -881.800696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -881.800696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -881.800696 (E_RNA)
where:
Base-Base interactions energy: -594.861
where: short stacking energy: -247.072
Base-Backbone interact. energy: -2.474
local terms energy: -284.465696
where:
bonds (distance) C4'-P energy: -58.639
bonds (distance) P-C4' energy: -69.147
flat angles C4'-P-C4' energy: -67.240
flat angles P-C4'-P energy: -40.240
tors. eta vs tors. theta energy: -49.199
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: 6
=====================================
Write number: 229
Temperature: 1.250000
Total energy: -670.266271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -670.266271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -670.266271 (E_RNA)
where:
Base-Base interactions energy: -386.393
where: short stacking energy: -191.182
Base-Backbone interact. energy: -1.783
local terms energy: -282.090500
where:
bonds (distance) C4'-P energy: -57.714
bonds (distance) P-C4' energy: -66.660
flat angles C4'-P-C4' energy: -78.267
flat angles P-C4'-P energy: -40.058
tors. eta vs tors. theta energy: -39.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 229
Temperature: 1.300000
Total energy: -681.071136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -681.071136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -681.071136 (E_RNA)
where:
Base-Base interactions energy: -421.905
where: short stacking energy: -204.875
Base-Backbone interact. energy: 0.549
local terms energy: -262.353543
where:
bonds (distance) C4'-P energy: -59.572
bonds (distance) P-C4' energy: -66.586
flat angles C4'-P-C4' energy: -66.407
flat angles P-C4'-P energy: -36.271
tors. eta vs tors. theta energy: -33.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 2.638 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 229
Temperature: 1.350000
Total energy: -524.511440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.511440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.511440 (E_RNA)
where:
Base-Base interactions energy: -296.017
where: short stacking energy: -146.753
Base-Backbone interact. energy: -2.045
local terms energy: -226.449722
where:
bonds (distance) C4'-P energy: -67.126
bonds (distance) P-C4' energy: -59.665
flat angles C4'-P-C4' energy: -50.509
flat angles P-C4'-P energy: -44.727
tors. eta vs tors. theta energy: -4.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 230
Temperature: 0.900000
Total energy: -1404.933406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1404.933406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1404.933406 (E_RNA)
where:
Base-Base interactions energy: -979.405
where: short stacking energy: -391.521
Base-Backbone interact. energy: -1.309
local terms energy: -425.850180
where:
bonds (distance) C4'-P energy: -86.066
bonds (distance) P-C4' energy: -75.463
flat angles C4'-P-C4' energy: -94.702
flat angles P-C4'-P energy: -64.834
tors. eta vs tors. theta energy: -104.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.631 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 230
Temperature: 0.950000
Total energy: -1333.568582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1333.568582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1333.568582 (E_RNA)
where:
Base-Base interactions energy: -913.493
where: short stacking energy: -407.182
Base-Backbone interact. energy: -1.590
local terms energy: -418.484883
where:
bonds (distance) C4'-P energy: -81.993
bonds (distance) P-C4' energy: -77.798
flat angles C4'-P-C4' energy: -86.445
flat angles P-C4'-P energy: -55.028
tors. eta vs tors. theta energy: -117.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 230
Temperature: 1.000000
Total energy: -1262.615232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1262.615232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1262.615232 (E_RNA)
where:
Base-Base interactions energy: -858.845
where: short stacking energy: -404.794
Base-Backbone interact. energy: -1.209
local terms energy: -402.561223
where:
bonds (distance) C4'-P energy: -70.702
bonds (distance) P-C4' energy: -80.401
flat angles C4'-P-C4' energy: -88.107
flat angles P-C4'-P energy: -52.592
tors. eta vs tors. theta energy: -110.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 230
Temperature: 1.050000
Total energy: -1201.298309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1201.298309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1201.298309 (E_RNA)
where:
Base-Base interactions energy: -800.467
where: short stacking energy: -352.426
Base-Backbone interact. energy: -3.056
local terms energy: -397.774997
where:
bonds (distance) C4'-P energy: -70.683
bonds (distance) P-C4' energy: -81.296
flat angles C4'-P-C4' energy: -87.927
flat angles P-C4'-P energy: -51.742
tors. eta vs tors. theta energy: -106.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 230
Temperature: 1.100000
Total energy: -1131.680719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1131.680719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1131.680719 (E_RNA)
where:
Base-Base interactions energy: -767.499
where: short stacking energy: -347.765
Base-Backbone interact. energy: -0.148
local terms energy: -364.033813
where:
bonds (distance) C4'-P energy: -74.080
bonds (distance) P-C4' energy: -71.452
flat angles C4'-P-C4' energy: -79.424
flat angles P-C4'-P energy: -46.470
tors. eta vs tors. theta energy: -92.608
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: 4
=====================================
Write number: 230
Temperature: 1.150000
Total energy: -1010.088568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1010.088568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1010.088568 (E_RNA)
where:
Base-Base interactions energy: -672.561
where: short stacking energy: -271.483
Base-Backbone interact. energy: -0.214
local terms energy: -337.313358
where:
bonds (distance) C4'-P energy: -79.740
bonds (distance) P-C4' energy: -53.656
flat angles C4'-P-C4' energy: -83.367
flat angles P-C4'-P energy: -58.016
tors. eta vs tors. theta energy: -62.534
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: 10
=====================================
Write number: 230
Temperature: 1.200000
Total energy: -895.629313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -895.629313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -895.629313 (E_RNA)
where:
Base-Base interactions energy: -602.810
where: short stacking energy: -242.821
Base-Backbone interact. energy: -1.794
local terms energy: -291.025679
where:
bonds (distance) C4'-P energy: -68.266
bonds (distance) P-C4' energy: -76.765
flat angles C4'-P-C4' energy: -59.767
flat angles P-C4'-P energy: -42.483
tors. eta vs tors. theta energy: -43.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 230
Temperature: 1.250000
Total energy: -630.675970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -630.675970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -630.675970 (E_RNA)
where:
Base-Base interactions energy: -362.297
where: short stacking energy: -194.555
Base-Backbone interact. energy: -0.171
local terms energy: -268.207153
where:
bonds (distance) C4'-P energy: -62.521
bonds (distance) P-C4' energy: -66.164
flat angles C4'-P-C4' energy: -59.363
flat angles P-C4'-P energy: -42.268
tors. eta vs tors. theta energy: -37.891
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: 1
=====================================
Write number: 230
Temperature: 1.300000
Total energy: -669.812160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -669.812160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -669.812160 (E_RNA)
where:
Base-Base interactions energy: -394.111
where: short stacking energy: -179.635
Base-Backbone interact. energy: 3.329
local terms energy: -279.030693
where:
bonds (distance) C4'-P energy: -60.282
bonds (distance) P-C4' energy: -72.626
flat angles C4'-P-C4' energy: -71.043
flat angles P-C4'-P energy: -35.927
tors. eta vs tors. theta energy: -39.152
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: 2
=====================================
Write number: 230
Temperature: 1.350000
Total energy: -466.706182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.706182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.706182 (E_RNA)
where:
Base-Base interactions energy: -255.880
where: short stacking energy: -107.912
Base-Backbone interact. energy: -1.120
local terms energy: -209.705653
where:
bonds (distance) C4'-P energy: -68.862
bonds (distance) P-C4' energy: -54.171
flat angles C4'-P-C4' energy: -64.415
flat angles P-C4'-P energy: -28.974
tors. eta vs tors. theta energy: 6.717
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: 7
=====================================
Write number: 231
Temperature: 0.900000
Total energy: -1406.131593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1406.131593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1406.131593 (E_RNA)
where:
Base-Base interactions energy: -992.340
where: short stacking energy: -408.251
Base-Backbone interact. energy: -0.834
local terms energy: -412.958203
where:
bonds (distance) C4'-P energy: -76.166
bonds (distance) P-C4' energy: -74.704
flat angles C4'-P-C4' energy: -85.630
flat angles P-C4'-P energy: -61.317
tors. eta vs tors. theta energy: -115.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 231
Temperature: 0.950000
Total energy: -1332.352654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1332.352654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1332.352654 (E_RNA)
where:
Base-Base interactions energy: -928.474
where: short stacking energy: -401.244
Base-Backbone interact. energy: -2.566
local terms energy: -401.313213
where:
bonds (distance) C4'-P energy: -73.043
bonds (distance) P-C4' energy: -67.111
flat angles C4'-P-C4' energy: -83.682
flat angles P-C4'-P energy: -61.795
tors. eta vs tors. theta energy: -115.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 231
Temperature: 1.000000
Total energy: -1248.701123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1248.701123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1248.701123 (E_RNA)
where:
Base-Base interactions energy: -866.803
where: short stacking energy: -378.660
Base-Backbone interact. energy: -0.618
local terms energy: -381.279914
where:
bonds (distance) C4'-P energy: -69.201
bonds (distance) P-C4' energy: -72.085
flat angles C4'-P-C4' energy: -82.912
flat angles P-C4'-P energy: -49.655
tors. eta vs tors. theta energy: -107.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 231
Temperature: 1.050000
Total energy: -1189.072037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1189.072037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1189.072037 (E_RNA)
where:
Base-Base interactions energy: -816.436
where: short stacking energy: -366.147
Base-Backbone interact. energy: -2.615
local terms energy: -370.021889
where:
bonds (distance) C4'-P energy: -71.908
bonds (distance) P-C4' energy: -69.240
flat angles C4'-P-C4' energy: -79.900
flat angles P-C4'-P energy: -46.154
tors. eta vs tors. theta energy: -102.820
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: 9
=====================================
Write number: 231
Temperature: 1.100000
Total energy: -1147.014191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1147.014191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1147.014191 (E_RNA)
where:
Base-Base interactions energy: -776.437
where: short stacking energy: -324.895
Base-Backbone interact. energy: -1.911
local terms energy: -369.011098
where:
bonds (distance) C4'-P energy: -77.222
bonds (distance) P-C4' energy: -77.321
flat angles C4'-P-C4' energy: -75.562
flat angles P-C4'-P energy: -41.089
tors. eta vs tors. theta energy: -97.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.345 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 231
Temperature: 1.150000
Total energy: -992.026782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -992.026782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -992.026782 (E_RNA)
where:
Base-Base interactions energy: -657.487
where: short stacking energy: -277.231
Base-Backbone interact. energy: -1.154
local terms energy: -333.385956
where:
bonds (distance) C4'-P energy: -72.312
bonds (distance) P-C4' energy: -68.316
flat angles C4'-P-C4' energy: -74.494
flat angles P-C4'-P energy: -39.455
tors. eta vs tors. theta energy: -78.809
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: 7, replica: 10
=====================================
Write number: 231
Temperature: 1.200000
Total energy: -908.185799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -908.185799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -908.185799 (E_RNA)
where:
Base-Base interactions energy: -589.422
where: short stacking energy: -251.182
Base-Backbone interact. energy: -2.577
local terms energy: -316.186525
where:
bonds (distance) C4'-P energy: -79.435
bonds (distance) P-C4' energy: -66.285
flat angles C4'-P-C4' energy: -68.823
flat angles P-C4'-P energy: -50.931
tors. eta vs tors. theta energy: -50.713
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: 8, replica: 1
=====================================
Write number: 231
Temperature: 1.250000
Total energy: -702.442356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -702.442356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -702.442356 (E_RNA)
where:
Base-Base interactions energy: -431.556
where: short stacking energy: -208.617
Base-Backbone interact. energy: -1.259
local terms energy: -269.627164
where:
bonds (distance) C4'-P energy: -73.703
bonds (distance) P-C4' energy: -71.387
flat angles C4'-P-C4' energy: -57.632
flat angles P-C4'-P energy: -33.114
tors. eta vs tors. theta energy: -33.791
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: 6
=====================================
Write number: 231
Temperature: 1.300000
Total energy: -609.750209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -609.750209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -609.750209 (E_RNA)
where:
Base-Base interactions energy: -349.558
where: short stacking energy: -155.553
Base-Backbone interact. energy: -2.631
local terms energy: -257.561129
where:
bonds (distance) C4'-P energy: -64.133
bonds (distance) P-C4' energy: -82.783
flat angles C4'-P-C4' energy: -68.434
flat angles P-C4'-P energy: -28.458
tors. eta vs tors. theta energy: -13.754
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: 10, replica: 2
=====================================
Write number: 231
Temperature: 1.350000
Total energy: -457.297550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.297550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.297550 (E_RNA)
where:
Base-Base interactions energy: -254.160
where: short stacking energy: -120.051
Base-Backbone interact. energy: -2.234
local terms energy: -200.903476
where:
bonds (distance) C4'-P energy: -69.247
bonds (distance) P-C4' energy: -66.459
flat angles C4'-P-C4' energy: -29.256
flat angles P-C4'-P energy: -31.793
tors. eta vs tors. theta energy: -4.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 232
Temperature: 0.900000
Total energy: -1403.775031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1403.775031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1403.775031 (E_RNA)
where:
Base-Base interactions energy: -986.923
where: short stacking energy: -403.550
Base-Backbone interact. energy: -2.900
local terms energy: -413.951895
where:
bonds (distance) C4'-P energy: -77.113
bonds (distance) P-C4' energy: -77.290
flat angles C4'-P-C4' energy: -90.581
flat angles P-C4'-P energy: -59.911
tors. eta vs tors. theta energy: -109.057
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: 2, replica: 5
=====================================
Write number: 232
Temperature: 0.950000
Total energy: -1304.941356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1304.941356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1304.941356 (E_RNA)
where:
Base-Base interactions energy: -885.973
where: short stacking energy: -375.537
Base-Backbone interact. energy: 0.610
local terms energy: -419.577500
where:
bonds (distance) C4'-P energy: -76.090
bonds (distance) P-C4' energy: -80.562
flat angles C4'-P-C4' energy: -83.447
flat angles P-C4'-P energy: -61.022
tors. eta vs tors. theta energy: -118.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 232
Temperature: 1.000000
Total energy: -1259.907848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1259.907848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1259.907848 (E_RNA)
where:
Base-Base interactions energy: -853.873
where: short stacking energy: -366.223
Base-Backbone interact. energy: -3.015
local terms energy: -403.019337
where:
bonds (distance) C4'-P energy: -75.793
bonds (distance) P-C4' energy: -69.339
flat angles C4'-P-C4' energy: -91.292
flat angles P-C4'-P energy: -55.280
tors. eta vs tors. theta energy: -111.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 232
Temperature: 1.050000
Total energy: -1167.164961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1167.164961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1167.164961 (E_RNA)
where:
Base-Base interactions energy: -798.087
where: short stacking energy: -348.852
Base-Backbone interact. energy: -0.716
local terms energy: -368.362047
where:
bonds (distance) C4'-P energy: -68.522
bonds (distance) P-C4' energy: -66.398
flat angles C4'-P-C4' energy: -78.542
flat angles P-C4'-P energy: -57.710
tors. eta vs tors. theta energy: -97.189
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: 9
=====================================
Write number: 232
Temperature: 1.100000
Total energy: -1156.265693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1156.265693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1156.265693 (E_RNA)
where:
Base-Base interactions energy: -805.435
where: short stacking energy: -338.190
Base-Backbone interact. energy: -0.466
local terms energy: -350.649086
where:
bonds (distance) C4'-P energy: -59.535
bonds (distance) P-C4' energy: -69.667
flat angles C4'-P-C4' energy: -73.228
flat angles P-C4'-P energy: -52.908
tors. eta vs tors. theta energy: -95.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.285 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 232
Temperature: 1.150000
Total energy: -1004.517349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1004.517349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1004.517349 (E_RNA)
where:
Base-Base interactions energy: -681.996
where: short stacking energy: -283.531
Base-Backbone interact. energy: 1.040
local terms energy: -323.562149
where:
bonds (distance) C4'-P energy: -74.422
bonds (distance) P-C4' energy: -61.247
flat angles C4'-P-C4' energy: -82.357
flat angles P-C4'-P energy: -37.519
tors. eta vs tors. theta energy: -68.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 232
Temperature: 1.200000
Total energy: -918.945952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -918.945952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -918.945952 (E_RNA)
where:
Base-Base interactions energy: -617.478
where: short stacking energy: -256.594
Base-Backbone interact. energy: -1.240
local terms energy: -300.228681
where:
bonds (distance) C4'-P energy: -69.081
bonds (distance) P-C4' energy: -61.784
flat angles C4'-P-C4' energy: -64.850
flat angles P-C4'-P energy: -38.993
tors. eta vs tors. theta energy: -65.521
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: 232
Temperature: 1.250000
Total energy: -709.174192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -709.174192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -709.174192 (E_RNA)
where:
Base-Base interactions energy: -432.342
where: short stacking energy: -193.802
Base-Backbone interact. energy: -1.621
local terms energy: -275.211582
where:
bonds (distance) C4'-P energy: -55.740
bonds (distance) P-C4' energy: -73.493
flat angles C4'-P-C4' energy: -49.587
flat angles P-C4'-P energy: -62.122
tors. eta vs tors. theta energy: -34.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 232
Temperature: 1.300000
Total energy: -666.862748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -666.862748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -666.862748 (E_RNA)
where:
Base-Base interactions energy: -383.772
where: short stacking energy: -191.612
Base-Backbone interact. energy: -1.745
local terms energy: -281.345552
where:
bonds (distance) C4'-P energy: -65.243
bonds (distance) P-C4' energy: -79.292
flat angles C4'-P-C4' energy: -64.802
flat angles P-C4'-P energy: -40.935
tors. eta vs tors. theta energy: -31.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 232
Temperature: 1.350000
Total energy: -405.139659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.139659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.139659 (E_RNA)
where:
Base-Base interactions energy: -194.165
where: short stacking energy: -126.428
Base-Backbone interact. energy: 0.675
local terms energy: -211.649379
where:
bonds (distance) C4'-P energy: -70.372
bonds (distance) P-C4' energy: -68.302
flat angles C4'-P-C4' energy: -39.513
flat angles P-C4'-P energy: -36.316
tors. eta vs tors. theta energy: 2.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 233
Temperature: 0.900000
Total energy: -1397.761084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1397.761084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1397.761084 (E_RNA)
where:
Base-Base interactions energy: -981.030
where: short stacking energy: -404.473
Base-Backbone interact. energy: -1.388
local terms energy: -415.343521
where:
bonds (distance) C4'-P energy: -74.651
bonds (distance) P-C4' energy: -81.922
flat angles C4'-P-C4' energy: -89.946
flat angles P-C4'-P energy: -59.565
tors. eta vs tors. theta energy: -109.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 233
Temperature: 0.950000
Total energy: -1305.526581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1305.526581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1305.526581 (E_RNA)
where:
Base-Base interactions energy: -896.578
where: short stacking energy: -372.719
Base-Backbone interact. energy: -1.848
local terms energy: -407.100940
where:
bonds (distance) C4'-P energy: -73.322
bonds (distance) P-C4' energy: -80.420
flat angles C4'-P-C4' energy: -89.296
flat angles P-C4'-P energy: -55.182
tors. eta vs tors. theta energy: -108.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 233
Temperature: 1.000000
Total energy: -1239.744138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1239.744138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1239.744138 (E_RNA)
where:
Base-Base interactions energy: -845.511
where: short stacking energy: -379.502
Base-Backbone interact. energy: -1.211
local terms energy: -393.022459
where:
bonds (distance) C4'-P energy: -74.880
bonds (distance) P-C4' energy: -74.155
flat angles C4'-P-C4' energy: -79.208
flat angles P-C4'-P energy: -51.507
tors. eta vs tors. theta energy: -113.272
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: 9
=====================================
Write number: 233
Temperature: 1.050000
Total energy: -1199.548096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1199.548096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1199.548096 (E_RNA)
where:
Base-Base interactions energy: -819.542
where: short stacking energy: -374.802
Base-Backbone interact. energy: 3.666
local terms energy: -383.671312
where:
bonds (distance) C4'-P energy: -69.169
bonds (distance) P-C4' energy: -71.248
flat angles C4'-P-C4' energy: -75.494
flat angles P-C4'-P energy: -58.059
tors. eta vs tors. theta energy: -109.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 233
Temperature: 1.100000
Total energy: -1147.107476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1147.107476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1147.107476 (E_RNA)
where:
Base-Base interactions energy: -766.994
where: short stacking energy: -347.887
Base-Backbone interact. energy: 0.191
local terms energy: -380.303712
where:
bonds (distance) C4'-P energy: -78.198
bonds (distance) P-C4' energy: -74.094
flat angles C4'-P-C4' energy: -76.082
flat angles P-C4'-P energy: -57.324
tors. eta vs tors. theta energy: -94.606
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: 4
=====================================
Write number: 233
Temperature: 1.150000
Total energy: -1020.128496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1020.128496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1020.128496 (E_RNA)
where:
Base-Base interactions energy: -711.255
where: short stacking energy: -297.940
Base-Backbone interact. energy: 0.442
local terms energy: -309.315836
where:
bonds (distance) C4'-P energy: -56.843
bonds (distance) P-C4' energy: -64.984
flat angles C4'-P-C4' energy: -67.580
flat angles P-C4'-P energy: -51.883
tors. eta vs tors. theta energy: -68.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 233
Temperature: 1.200000
Total energy: -877.123327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -877.123327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -877.123327 (E_RNA)
where:
Base-Base interactions energy: -583.296
where: short stacking energy: -250.770
Base-Backbone interact. energy: 0.388
local terms energy: -294.215447
where:
bonds (distance) C4'-P energy: -63.224
bonds (distance) P-C4' energy: -75.116
flat angles C4'-P-C4' energy: -63.823
flat angles P-C4'-P energy: -35.043
tors. eta vs tors. theta energy: -57.009
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: 8, replica: 1
=====================================
Write number: 233
Temperature: 1.250000
Total energy: -641.448546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -641.448546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -641.448546 (E_RNA)
where:
Base-Base interactions energy: -368.917
where: short stacking energy: -210.410
Base-Backbone interact. energy: 0.903
local terms energy: -273.435163
where:
bonds (distance) C4'-P energy: -66.312
bonds (distance) P-C4' energy: -63.054
flat angles C4'-P-C4' energy: -67.145
flat angles P-C4'-P energy: -35.013
tors. eta vs tors. theta energy: -41.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 233
Temperature: 1.300000
Total energy: -603.456044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -603.456044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -603.456044 (E_RNA)
where:
Base-Base interactions energy: -343.430
where: short stacking energy: -165.547
Base-Backbone interact. energy: -1.007
local terms energy: -259.019241
where:
bonds (distance) C4'-P energy: -69.291
bonds (distance) P-C4' energy: -64.553
flat angles C4'-P-C4' energy: -63.353
flat angles P-C4'-P energy: -39.780
tors. eta vs tors. theta energy: -22.042
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: 233
Temperature: 1.350000
Total energy: -424.928781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.928781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.928781 (E_RNA)
where:
Base-Base interactions energy: -218.535
where: short stacking energy: -143.664
Base-Backbone interact. energy: 2.920
local terms energy: -209.314194
where:
bonds (distance) C4'-P energy: -61.736
bonds (distance) P-C4' energy: -61.398
flat angles C4'-P-C4' energy: -44.793
flat angles P-C4'-P energy: -31.918
tors. eta vs tors. theta energy: -9.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 234
Temperature: 0.900000
Total energy: -1402.535180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1402.535180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1402.535180 (E_RNA)
where:
Base-Base interactions energy: -983.593
where: short stacking energy: -404.606
Base-Backbone interact. energy: -1.563
local terms energy: -417.378315
where:
bonds (distance) C4'-P energy: -83.338
bonds (distance) P-C4' energy: -74.067
flat angles C4'-P-C4' energy: -83.018
flat angles P-C4'-P energy: -65.354
tors. eta vs tors. theta energy: -111.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 234
Temperature: 0.950000
Total energy: -1296.681510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1296.681510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1296.681510 (E_RNA)
where:
Base-Base interactions energy: -892.571
where: short stacking energy: -389.561
Base-Backbone interact. energy: -0.839
local terms energy: -403.271651
where:
bonds (distance) C4'-P energy: -84.566
bonds (distance) P-C4' energy: -70.458
flat angles C4'-P-C4' energy: -77.743
flat angles P-C4'-P energy: -56.267
tors. eta vs tors. theta energy: -114.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 234
Temperature: 1.000000
Total energy: -1256.692383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1256.692383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1256.692383 (E_RNA)
where:
Base-Base interactions energy: -846.160
where: short stacking energy: -383.877
Base-Backbone interact. energy: -1.204
local terms energy: -409.328247
where:
bonds (distance) C4'-P energy: -75.032
bonds (distance) P-C4' energy: -77.179
flat angles C4'-P-C4' energy: -88.664
flat angles P-C4'-P energy: -54.649
tors. eta vs tors. theta energy: -113.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 234
Temperature: 1.050000
Total energy: -1180.129111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1180.129111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1180.129111 (E_RNA)
where:
Base-Base interactions energy: -795.806
where: short stacking energy: -343.010
Base-Backbone interact. energy: -0.556
local terms energy: -383.767891
where:
bonds (distance) C4'-P energy: -77.066
bonds (distance) P-C4' energy: -76.397
flat angles C4'-P-C4' energy: -80.009
flat angles P-C4'-P energy: -47.699
tors. eta vs tors. theta energy: -102.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 234
Temperature: 1.100000
Total energy: -1183.197350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1183.197350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1183.197350 (E_RNA)
where:
Base-Base interactions energy: -795.681
where: short stacking energy: -371.875
Base-Backbone interact. energy: -0.910
local terms energy: -386.607054
where:
bonds (distance) C4'-P energy: -69.275
bonds (distance) P-C4' energy: -70.829
flat angles C4'-P-C4' energy: -79.021
flat angles P-C4'-P energy: -49.816
tors. eta vs tors. theta energy: -117.666
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: 4
=====================================
Write number: 234
Temperature: 1.150000
Total energy: -999.136479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -999.136479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -999.136479 (E_RNA)
where:
Base-Base interactions energy: -663.026
where: short stacking energy: -287.394
Base-Backbone interact. energy: -1.042
local terms energy: -335.068091
where:
bonds (distance) C4'-P energy: -72.629
bonds (distance) P-C4' energy: -61.341
flat angles C4'-P-C4' energy: -80.225
flat angles P-C4'-P energy: -50.610
tors. eta vs tors. theta energy: -70.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 234
Temperature: 1.200000
Total energy: -852.645367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -852.645367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -852.645367 (E_RNA)
where:
Base-Base interactions energy: -564.904
where: short stacking energy: -253.746
Base-Backbone interact. energy: -0.791
local terms energy: -286.949967
where:
bonds (distance) C4'-P energy: -57.079
bonds (distance) P-C4' energy: -77.627
flat angles C4'-P-C4' energy: -60.545
flat angles P-C4'-P energy: -37.077
tors. eta vs tors. theta energy: -54.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 234
Temperature: 1.250000
Total energy: -642.356682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -642.356682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -642.356682 (E_RNA)
where:
Base-Base interactions energy: -359.653
where: short stacking energy: -199.854
Base-Backbone interact. energy: -0.654
local terms energy: -282.050279
where:
bonds (distance) C4'-P energy: -76.260
bonds (distance) P-C4' energy: -78.086
flat angles C4'-P-C4' energy: -53.871
flat angles P-C4'-P energy: -39.783
tors. eta vs tors. theta energy: -34.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 234
Temperature: 1.300000
Total energy: -605.536716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -605.536716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -605.536716 (E_RNA)
where:
Base-Base interactions energy: -356.792
where: short stacking energy: -161.624
Base-Backbone interact. energy: 0.274
local terms energy: -249.018848
where:
bonds (distance) C4'-P energy: -69.899
bonds (distance) P-C4' energy: -72.289
flat angles C4'-P-C4' energy: -56.426
flat angles P-C4'-P energy: -27.984
tors. eta vs tors. theta energy: -22.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 234
Temperature: 1.350000
Total energy: -406.962593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.962593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.962593 (E_RNA)
where:
Base-Base interactions energy: -186.309
where: short stacking energy: -110.303
Base-Backbone interact. energy: 0.472
local terms energy: -221.125316
where:
bonds (distance) C4'-P energy: -65.030
bonds (distance) P-C4' energy: -70.703
flat angles C4'-P-C4' energy: -55.929
flat angles P-C4'-P energy: -32.006
tors. eta vs tors. theta energy: 2.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 235
Temperature: 0.900000
Total energy: -1393.022379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1393.022379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1393.022379 (E_RNA)
where:
Base-Base interactions energy: -968.418
where: short stacking energy: -405.259
Base-Backbone interact. energy: -0.775
local terms energy: -423.829427
where:
bonds (distance) C4'-P energy: -79.202
bonds (distance) P-C4' energy: -72.250
flat angles C4'-P-C4' energy: -91.368
flat angles P-C4'-P energy: -59.520
tors. eta vs tors. theta energy: -121.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 235
Temperature: 0.950000
Total energy: -1306.381166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1306.381166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1306.381166 (E_RNA)
where:
Base-Base interactions energy: -901.501
where: short stacking energy: -383.499
Base-Backbone interact. energy: -0.436
local terms energy: -404.444863
where:
bonds (distance) C4'-P energy: -73.277
bonds (distance) P-C4' energy: -83.489
flat angles C4'-P-C4' energy: -90.545
flat angles P-C4'-P energy: -53.643
tors. eta vs tors. theta energy: -103.490
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: 235
Temperature: 1.000000
Total energy: -1250.949582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1250.949582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1250.949582 (E_RNA)
where:
Base-Base interactions energy: -861.247
where: short stacking energy: -378.411
Base-Backbone interact. energy: -1.056
local terms energy: -388.646487
where:
bonds (distance) C4'-P energy: -68.217
bonds (distance) P-C4' energy: -74.989
flat angles C4'-P-C4' energy: -78.359
flat angles P-C4'-P energy: -57.405
tors. eta vs tors. theta energy: -109.675
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: 9
=====================================
Write number: 235
Temperature: 1.050000
Total energy: -1191.870506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1191.870506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1191.870506 (E_RNA)
where:
Base-Base interactions energy: -809.754
where: short stacking energy: -353.367
Base-Backbone interact. energy: 2.532
local terms energy: -384.751351
where:
bonds (distance) C4'-P energy: -78.730
bonds (distance) P-C4' energy: -71.564
flat angles C4'-P-C4' energy: -76.963
flat angles P-C4'-P energy: -57.977
tors. eta vs tors. theta energy: -99.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.102 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 235
Temperature: 1.100000
Total energy: -1155.007388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1155.007388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1155.007388 (E_RNA)
where:
Base-Base interactions energy: -780.812
where: short stacking energy: -347.447
Base-Backbone interact. energy: -2.966
local terms energy: -371.229351
where:
bonds (distance) C4'-P energy: -72.180
bonds (distance) P-C4' energy: -63.040
flat angles C4'-P-C4' energy: -80.061
flat angles P-C4'-P energy: -52.604
tors. eta vs tors. theta energy: -103.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 235
Temperature: 1.150000
Total energy: -998.830088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -998.830088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -998.830088 (E_RNA)
where:
Base-Base interactions energy: -632.184
where: short stacking energy: -287.599
Base-Backbone interact. energy: 3.360
local terms energy: -370.006462
where:
bonds (distance) C4'-P energy: -68.995
bonds (distance) P-C4' energy: -81.863
flat angles C4'-P-C4' energy: -80.652
flat angles P-C4'-P energy: -61.938
tors. eta vs tors. theta energy: -76.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 235
Temperature: 1.200000
Total energy: -842.779303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -842.779303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -842.779303 (E_RNA)
where:
Base-Base interactions energy: -561.408
where: short stacking energy: -238.854
Base-Backbone interact. energy: 0.887
local terms energy: -282.257676
where:
bonds (distance) C4'-P energy: -68.395
bonds (distance) P-C4' energy: -82.912
flat angles C4'-P-C4' energy: -53.403
flat angles P-C4'-P energy: -36.578
tors. eta vs tors. theta energy: -40.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 235
Temperature: 1.250000
Total energy: -650.739690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -650.739690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -650.739690 (E_RNA)
where:
Base-Base interactions energy: -385.965
where: short stacking energy: -205.676
Base-Backbone interact. energy: 2.360
local terms energy: -267.135101
where:
bonds (distance) C4'-P energy: -66.359
bonds (distance) P-C4' energy: -69.553
flat angles C4'-P-C4' energy: -70.603
flat angles P-C4'-P energy: -32.735
tors. eta vs tors. theta energy: -27.886
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: 6
=====================================
Write number: 235
Temperature: 1.300000
Total energy: -588.136155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -588.136155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -588.136155 (E_RNA)
where:
Base-Base interactions energy: -355.631
where: short stacking energy: -174.089
Base-Backbone interact. energy: 0.341
local terms energy: -232.846289
where:
bonds (distance) C4'-P energy: -54.135
bonds (distance) P-C4' energy: -66.702
flat angles C4'-P-C4' energy: -55.447
flat angles P-C4'-P energy: -37.840
tors. eta vs tors. theta energy: -18.723
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: 235
Temperature: 1.350000
Total energy: -406.151412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.151412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.151412 (E_RNA)
where:
Base-Base interactions energy: -167.982
where: short stacking energy: -104.211
Base-Backbone interact. energy: -0.174
local terms energy: -237.995327
where:
bonds (distance) C4'-P energy: -64.170
bonds (distance) P-C4' energy: -78.379
flat angles C4'-P-C4' energy: -63.520
flat angles P-C4'-P energy: -40.993
tors. eta vs tors. theta energy: 9.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 236
Temperature: 0.900000
Total energy: -1381.344794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1381.344794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1381.344794 (E_RNA)
where:
Base-Base interactions energy: -978.193
where: short stacking energy: -427.177
Base-Backbone interact. energy: 4.866
local terms energy: -408.017868
where:
bonds (distance) C4'-P energy: -79.065
bonds (distance) P-C4' energy: -75.175
flat angles C4'-P-C4' energy: -93.163
flat angles P-C4'-P energy: -44.770
tors. eta vs tors. theta energy: -115.844
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: 2, replica: 5
=====================================
Write number: 236
Temperature: 0.950000
Total energy: -1284.259658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1284.259658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1284.259658 (E_RNA)
where:
Base-Base interactions energy: -880.668
where: short stacking energy: -369.620
Base-Backbone interact. energy: -2.353
local terms energy: -401.238278
where:
bonds (distance) C4'-P energy: -72.895
bonds (distance) P-C4' energy: -78.182
flat angles C4'-P-C4' energy: -86.060
flat angles P-C4'-P energy: -55.588
tors. eta vs tors. theta energy: -108.514
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: 236
Temperature: 1.000000
Total energy: -1291.853429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1291.853429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1291.853429 (E_RNA)
where:
Base-Base interactions energy: -877.987
where: short stacking energy: -369.082
Base-Backbone interact. energy: -2.575
local terms energy: -411.291613
where:
bonds (distance) C4'-P energy: -74.039
bonds (distance) P-C4' energy: -75.554
flat angles C4'-P-C4' energy: -94.857
flat angles P-C4'-P energy: -57.144
tors. eta vs tors. theta energy: -109.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 236
Temperature: 1.050000
Total energy: -1214.084180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1214.084180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1214.084180 (E_RNA)
where:
Base-Base interactions energy: -822.735
where: short stacking energy: -350.346
Base-Backbone interact. energy: -1.981
local terms energy: -389.368502
where:
bonds (distance) C4'-P energy: -75.302
bonds (distance) P-C4' energy: -82.183
flat angles C4'-P-C4' energy: -78.506
flat angles P-C4'-P energy: -47.669
tors. eta vs tors. theta energy: -105.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 236
Temperature: 1.100000
Total energy: -1144.506253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1144.506253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1144.506253 (E_RNA)
where:
Base-Base interactions energy: -776.321
where: short stacking energy: -358.556
Base-Backbone interact. energy: -0.294
local terms energy: -367.890708
where:
bonds (distance) C4'-P energy: -66.082
bonds (distance) P-C4' energy: -71.006
flat angles C4'-P-C4' energy: -85.369
flat angles P-C4'-P energy: -50.909
tors. eta vs tors. theta energy: -94.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 236
Temperature: 1.150000
Total energy: -957.432927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -957.432927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -957.432927 (E_RNA)
where:
Base-Base interactions energy: -630.190
where: short stacking energy: -272.474
Base-Backbone interact. energy: -0.293
local terms energy: -326.950100
where:
bonds (distance) C4'-P energy: -63.068
bonds (distance) P-C4' energy: -79.819
flat angles C4'-P-C4' energy: -79.095
flat angles P-C4'-P energy: -43.922
tors. eta vs tors. theta energy: -61.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 236
Temperature: 1.200000
Total energy: -862.352909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -862.352909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -862.352909 (E_RNA)
where:
Base-Base interactions energy: -570.539
where: short stacking energy: -236.908
Base-Backbone interact. energy: -0.456
local terms energy: -291.358181
where:
bonds (distance) C4'-P energy: -64.949
bonds (distance) P-C4' energy: -68.387
flat angles C4'-P-C4' energy: -68.960
flat angles P-C4'-P energy: -43.623
tors. eta vs tors. theta energy: -45.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 236
Temperature: 1.250000
Total energy: -648.613903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -648.613903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -648.613903 (E_RNA)
where:
Base-Base interactions energy: -384.725
where: short stacking energy: -178.717
Base-Backbone interact. energy: -0.848
local terms energy: -263.041071
where:
bonds (distance) C4'-P energy: -63.902
bonds (distance) P-C4' energy: -71.945
flat angles C4'-P-C4' energy: -69.234
flat angles P-C4'-P energy: -29.247
tors. eta vs tors. theta energy: -28.714
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: 6
=====================================
Write number: 236
Temperature: 1.300000
Total energy: -587.845716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -587.845716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -587.845716 (E_RNA)
where:
Base-Base interactions energy: -338.828
where: short stacking energy: -174.663
Base-Backbone interact. energy: 0.760
local terms energy: -249.778196
where:
bonds (distance) C4'-P energy: -60.959
bonds (distance) P-C4' energy: -60.496
flat angles C4'-P-C4' energy: -63.248
flat angles P-C4'-P energy: -29.006
tors. eta vs tors. theta energy: -36.069
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: 2
=====================================
Write number: 236
Temperature: 1.350000
Total energy: -417.175086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.175086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.175086 (E_RNA)
where:
Base-Base interactions energy: -186.624
where: short stacking energy: -120.742
Base-Backbone interact. energy: 0.782
local terms energy: -231.333243
where:
bonds (distance) C4'-P energy: -80.157
bonds (distance) P-C4' energy: -77.831
flat angles C4'-P-C4' energy: -50.765
flat angles P-C4'-P energy: -25.952
tors. eta vs tors. theta energy: 3.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 237
Temperature: 0.900000
Total energy: -1390.919633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1390.919633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1390.919633 (E_RNA)
where:
Base-Base interactions energy: -984.881
where: short stacking energy: -415.134
Base-Backbone interact. energy: -1.639
local terms energy: -404.399200
where:
bonds (distance) C4'-P energy: -75.227
bonds (distance) P-C4' energy: -76.158
flat angles C4'-P-C4' energy: -93.185
flat angles P-C4'-P energy: -61.880
tors. eta vs tors. theta energy: -97.949
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: 3
=====================================
Write number: 237
Temperature: 0.950000
Total energy: -1315.168616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1315.168616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1315.168616 (E_RNA)
where:
Base-Base interactions energy: -901.229
where: short stacking energy: -375.527
Base-Backbone interact. energy: -2.391
local terms energy: -411.548301
where:
bonds (distance) C4'-P energy: -82.681
bonds (distance) P-C4' energy: -72.251
flat angles C4'-P-C4' energy: -83.415
flat angles P-C4'-P energy: -59.769
tors. eta vs tors. theta energy: -113.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 237
Temperature: 1.000000
Total energy: -1275.000505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1275.000505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1275.000505 (E_RNA)
where:
Base-Base interactions energy: -879.762
where: short stacking energy: -375.504
Base-Backbone interact. energy: 3.009
local terms energy: -398.248016
where:
bonds (distance) C4'-P energy: -82.755
bonds (distance) P-C4' energy: -70.243
flat angles C4'-P-C4' energy: -83.702
flat angles P-C4'-P energy: -52.113
tors. eta vs tors. theta energy: -109.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 237
Temperature: 1.050000
Total energy: -1225.931981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1225.931981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1225.931981 (E_RNA)
where:
Base-Base interactions energy: -853.003
where: short stacking energy: -346.023
Base-Backbone interact. energy: -0.872
local terms energy: -372.057443
where:
bonds (distance) C4'-P energy: -75.183
bonds (distance) P-C4' energy: -67.376
flat angles C4'-P-C4' energy: -80.612
flat angles P-C4'-P energy: -54.721
tors. eta vs tors. theta energy: -94.165
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: 8
=====================================
Write number: 237
Temperature: 1.100000
Total energy: -1153.146565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1153.146565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1153.146565 (E_RNA)
where:
Base-Base interactions energy: -801.188
where: short stacking energy: -332.849
Base-Backbone interact. energy: -0.596
local terms energy: -351.362711
where:
bonds (distance) C4'-P energy: -61.394
bonds (distance) P-C4' energy: -70.641
flat angles C4'-P-C4' energy: -75.647
flat angles P-C4'-P energy: -48.542
tors. eta vs tors. theta energy: -95.138
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: 6, replica: 4
=====================================
Write number: 237
Temperature: 1.150000
Total energy: -942.871348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -942.871348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -942.871348 (E_RNA)
where:
Base-Base interactions energy: -621.882
where: short stacking energy: -250.406
Base-Backbone interact. energy: -3.554
local terms energy: -317.435350
where:
bonds (distance) C4'-P energy: -64.270
bonds (distance) P-C4' energy: -76.996
flat angles C4'-P-C4' energy: -77.120
flat angles P-C4'-P energy: -38.079
tors. eta vs tors. theta energy: -60.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 237
Temperature: 1.200000
Total energy: -871.741292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -871.741292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -871.741292 (E_RNA)
where:
Base-Base interactions energy: -575.556
where: short stacking energy: -238.967
Base-Backbone interact. energy: 2.372
local terms energy: -298.557217
where:
bonds (distance) C4'-P energy: -56.442
bonds (distance) P-C4' energy: -71.331
flat angles C4'-P-C4' energy: -70.673
flat angles P-C4'-P energy: -46.017
tors. eta vs tors. theta energy: -54.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 237
Temperature: 1.250000
Total energy: -653.927128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -653.927128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -653.927128 (E_RNA)
where:
Base-Base interactions energy: -384.905
where: short stacking energy: -217.023
Base-Backbone interact. energy: -0.391
local terms energy: -268.631017
where:
bonds (distance) C4'-P energy: -56.739
bonds (distance) P-C4' energy: -61.473
flat angles C4'-P-C4' energy: -76.220
flat angles P-C4'-P energy: -41.800
tors. eta vs tors. theta energy: -32.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 237
Temperature: 1.300000
Total energy: -557.966117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.966117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.966117 (E_RNA)
where:
Base-Base interactions energy: -341.337
where: short stacking energy: -173.101
Base-Backbone interact. energy: -0.204
local terms energy: -216.424557
where:
bonds (distance) C4'-P energy: -48.319
bonds (distance) P-C4' energy: -63.067
flat angles C4'-P-C4' energy: -56.969
flat angles P-C4'-P energy: -33.283
tors. eta vs tors. theta energy: -14.787
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: 2
=====================================
Write number: 237
Temperature: 1.350000
Total energy: -386.724819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.724819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.724819 (E_RNA)
where:
Base-Base interactions energy: -180.968
where: short stacking energy: -101.428
Base-Backbone interact. energy: 0.458
local terms energy: -206.215208
where:
bonds (distance) C4'-P energy: -63.786
bonds (distance) P-C4' energy: -59.195
flat angles C4'-P-C4' energy: -43.722
flat angles P-C4'-P energy: -40.472
tors. eta vs tors. theta energy: 0.960
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: 7
=====================================
Write number: 238
Temperature: 0.900000
Total energy: -1373.887965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1373.887965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1373.887965 (E_RNA)
where:
Base-Base interactions energy: -959.714
where: short stacking energy: -401.862
Base-Backbone interact. energy: -1.169
local terms energy: -413.004581
where:
bonds (distance) C4'-P energy: -76.161
bonds (distance) P-C4' energy: -80.646
flat angles C4'-P-C4' energy: -85.134
flat angles P-C4'-P energy: -61.646
tors. eta vs tors. theta energy: -109.418
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: 3
=====================================
Write number: 238
Temperature: 0.950000
Total energy: -1351.623330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1351.623330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1351.623330 (E_RNA)
where:
Base-Base interactions energy: -927.662
where: short stacking energy: -393.580
Base-Backbone interact. energy: -2.232
local terms energy: -421.729798
where:
bonds (distance) C4'-P energy: -65.950
bonds (distance) P-C4' energy: -78.829
flat angles C4'-P-C4' energy: -91.451
flat angles P-C4'-P energy: -66.280
tors. eta vs tors. theta energy: -119.220
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: 3, replica: 5
=====================================
Write number: 238
Temperature: 1.000000
Total energy: -1269.610277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1269.610277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1269.610277 (E_RNA)
where:
Base-Base interactions energy: -862.671
where: short stacking energy: -361.943
Base-Backbone interact. energy: -1.996
local terms energy: -404.943206
where:
bonds (distance) C4'-P energy: -71.621
bonds (distance) P-C4' energy: -75.264
flat angles C4'-P-C4' energy: -76.425
flat angles P-C4'-P energy: -59.157
tors. eta vs tors. theta energy: -122.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 238
Temperature: 1.050000
Total energy: -1232.611891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1232.611891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1232.611891 (E_RNA)
where:
Base-Base interactions energy: -843.391
where: short stacking energy: -374.617
Base-Backbone interact. energy: -0.267
local terms energy: -388.953324
where:
bonds (distance) C4'-P energy: -72.508
bonds (distance) P-C4' energy: -71.602
flat angles C4'-P-C4' energy: -78.277
flat angles P-C4'-P energy: -60.883
tors. eta vs tors. theta energy: -105.683
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: 8
=====================================
Write number: 238
Temperature: 1.100000
Total energy: -1125.150469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1125.150469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1125.150469 (E_RNA)
where:
Base-Base interactions energy: -761.949
where: short stacking energy: -315.140
Base-Backbone interact. energy: -1.028
local terms energy: -362.173970
where:
bonds (distance) C4'-P energy: -68.264
bonds (distance) P-C4' energy: -78.247
flat angles C4'-P-C4' energy: -75.688
flat angles P-C4'-P energy: -54.083
tors. eta vs tors. theta energy: -85.891
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: 4
=====================================
Write number: 238
Temperature: 1.150000
Total energy: -972.977070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -972.977070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -972.977070 (E_RNA)
where:
Base-Base interactions energy: -640.902
where: short stacking energy: -283.684
Base-Backbone interact. energy: 2.901
local terms energy: -334.976655
where:
bonds (distance) C4'-P energy: -66.829
bonds (distance) P-C4' energy: -70.958
flat angles C4'-P-C4' energy: -68.987
flat angles P-C4'-P energy: -52.995
tors. eta vs tors. theta energy: -75.207
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: 7, replica: 10
=====================================
Write number: 238
Temperature: 1.200000
Total energy: -898.055874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -898.055874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -898.055874 (E_RNA)
where:
Base-Base interactions energy: -587.186
where: short stacking energy: -269.088
Base-Backbone interact. energy: -0.613
local terms energy: -310.256735
where:
bonds (distance) C4'-P energy: -60.801
bonds (distance) P-C4' energy: -81.046
flat angles C4'-P-C4' energy: -70.487
flat angles P-C4'-P energy: -32.021
tors. eta vs tors. theta energy: -65.901
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: 6
=====================================
Write number: 238
Temperature: 1.250000
Total energy: -649.312588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -649.312588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -649.312588 (E_RNA)
where:
Base-Base interactions energy: -372.283
where: short stacking energy: -185.583
Base-Backbone interact. energy: -2.227
local terms energy: -274.802086
where:
bonds (distance) C4'-P energy: -62.133
bonds (distance) P-C4' energy: -75.880
flat angles C4'-P-C4' energy: -66.894
flat angles P-C4'-P energy: -42.265
tors. eta vs tors. theta energy: -27.629
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: 1
=====================================
Write number: 238
Temperature: 1.300000
Total energy: -607.929248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -607.929248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -607.929248 (E_RNA)
where:
Base-Base interactions energy: -344.548
where: short stacking energy: -162.168
Base-Backbone interact. energy: 0.500
local terms energy: -263.880956
where:
bonds (distance) C4'-P energy: -65.990
bonds (distance) P-C4' energy: -74.656
flat angles C4'-P-C4' energy: -61.432
flat angles P-C4'-P energy: -31.690
tors. eta vs tors. theta energy: -30.113
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: 238
Temperature: 1.350000
Total energy: -422.539055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.539055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.539055 (E_RNA)
where:
Base-Base interactions energy: -190.847
where: short stacking energy: -110.530
Base-Backbone interact. energy: -0.643
local terms energy: -231.048199
where:
bonds (distance) C4'-P energy: -68.506
bonds (distance) P-C4' energy: -72.075
flat angles C4'-P-C4' energy: -61.942
flat angles P-C4'-P energy: -32.919
tors. eta vs tors. theta energy: 4.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 239
Temperature: 0.900000
Total energy: -1394.994699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1394.994699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1394.994699 (E_RNA)
where:
Base-Base interactions energy: -969.745
where: short stacking energy: -412.621
Base-Backbone interact. energy: -2.975
local terms energy: -422.274601
where:
bonds (distance) C4'-P energy: -75.446
bonds (distance) P-C4' energy: -73.238
flat angles C4'-P-C4' energy: -91.718
flat angles P-C4'-P energy: -63.349
tors. eta vs tors. theta energy: -118.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 239
Temperature: 0.950000
Total energy: -1308.292760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1308.292760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1308.292760 (E_RNA)
where:
Base-Base interactions energy: -905.197
where: short stacking energy: -382.236
Base-Backbone interact. energy: -3.302
local terms energy: -399.794154
where:
bonds (distance) C4'-P energy: -79.068
bonds (distance) P-C4' energy: -77.380
flat angles C4'-P-C4' energy: -83.954
flat angles P-C4'-P energy: -53.493
tors. eta vs tors. theta energy: -105.899
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 239
Temperature: 1.000000
Total energy: -1285.264398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1285.264398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1285.264398 (E_RNA)
where:
Base-Base interactions energy: -866.685
where: short stacking energy: -366.313
Base-Backbone interact. energy: -0.436
local terms energy: -418.143291
where:
bonds (distance) C4'-P energy: -79.188
bonds (distance) P-C4' energy: -81.875
flat angles C4'-P-C4' energy: -92.972
flat angles P-C4'-P energy: -57.708
tors. eta vs tors. theta energy: -106.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 239
Temperature: 1.050000
Total energy: -1216.441082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1216.441082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1216.441082 (E_RNA)
where:
Base-Base interactions energy: -841.918
where: short stacking energy: -370.459
Base-Backbone interact. energy: 0.835
local terms energy: -375.358313
where:
bonds (distance) C4'-P energy: -62.372
bonds (distance) P-C4' energy: -70.823
flat angles C4'-P-C4' energy: -78.231
flat angles P-C4'-P energy: -56.545
tors. eta vs tors. theta energy: -107.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 239
Temperature: 1.100000
Total energy: -1107.137639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1107.137639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1107.137639 (E_RNA)
where:
Base-Base interactions energy: -738.497
where: short stacking energy: -323.466
Base-Backbone interact. energy: -1.903
local terms energy: -366.737494
where:
bonds (distance) C4'-P energy: -79.051
bonds (distance) P-C4' energy: -83.411
flat angles C4'-P-C4' energy: -72.746
flat angles P-C4'-P energy: -47.010
tors. eta vs tors. theta energy: -84.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 239
Temperature: 1.150000
Total energy: -974.672954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -974.672954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -974.672954 (E_RNA)
where:
Base-Base interactions energy: -639.688
where: short stacking energy: -271.901
Base-Backbone interact. energy: -1.435
local terms energy: -333.550385
where:
bonds (distance) C4'-P energy: -59.491
bonds (distance) P-C4' energy: -77.505
flat angles C4'-P-C4' energy: -73.102
flat angles P-C4'-P energy: -52.589
tors. eta vs tors. theta energy: -70.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 239
Temperature: 1.200000
Total energy: -871.638913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -871.638913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -871.638913 (E_RNA)
where:
Base-Base interactions energy: -566.825
where: short stacking energy: -247.295
Base-Backbone interact. energy: -0.728
local terms energy: -304.086302
where:
bonds (distance) C4'-P energy: -66.084
bonds (distance) P-C4' energy: -64.370
flat angles C4'-P-C4' energy: -74.857
flat angles P-C4'-P energy: -48.370
tors. eta vs tors. theta energy: -50.406
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: 8, replica: 6
=====================================
Write number: 239
Temperature: 1.250000
Total energy: -629.718380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -629.718380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -629.718380 (E_RNA)
where:
Base-Base interactions energy: -356.211
where: short stacking energy: -171.659
Base-Backbone interact. energy: 2.735
local terms energy: -276.242886
where:
bonds (distance) C4'-P energy: -72.599
bonds (distance) P-C4' energy: -65.710
flat angles C4'-P-C4' energy: -64.996
flat angles P-C4'-P energy: -46.105
tors. eta vs tors. theta energy: -26.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 239
Temperature: 1.300000
Total energy: -570.656501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -570.656501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -570.656501 (E_RNA)
where:
Base-Base interactions energy: -323.251
where: short stacking energy: -163.039
Base-Backbone interact. energy: -0.969
local terms energy: -246.437081
where:
bonds (distance) C4'-P energy: -57.527
bonds (distance) P-C4' energy: -71.197
flat angles C4'-P-C4' energy: -61.357
flat angles P-C4'-P energy: -30.947
tors. eta vs tors. theta energy: -25.409
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: 2
=====================================
Write number: 239
Temperature: 1.350000
Total energy: -390.536600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.536600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.536600 (E_RNA)
where:
Base-Base interactions energy: -159.065
where: short stacking energy: -94.136
Base-Backbone interact. energy: -0.597
local terms energy: -230.875154
where:
bonds (distance) C4'-P energy: -69.228
bonds (distance) P-C4' energy: -70.535
flat angles C4'-P-C4' energy: -67.513
flat angles P-C4'-P energy: -26.935
tors. eta vs tors. theta energy: 3.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 240
Temperature: 0.900000
Total energy: -1387.999336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1387.999336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1387.999336 (E_RNA)
where:
Base-Base interactions energy: -946.330
where: short stacking energy: -416.385
Base-Backbone interact. energy: -2.012
local terms energy: -439.657161
where:
bonds (distance) C4'-P energy: -80.494
bonds (distance) P-C4' energy: -84.285
flat angles C4'-P-C4' energy: -91.294
flat angles P-C4'-P energy: -66.995
tors. eta vs tors. theta energy: -116.589
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: 3
=====================================
Write number: 240
Temperature: 0.950000
Total energy: -1339.425208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1339.425208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1339.425208 (E_RNA)
where:
Base-Base interactions energy: -943.238
where: short stacking energy: -384.659
Base-Backbone interact. energy: -1.183
local terms energy: -395.153027
where:
bonds (distance) C4'-P energy: -65.992
bonds (distance) P-C4' energy: -74.195
flat angles C4'-P-C4' energy: -85.748
flat angles P-C4'-P energy: -59.390
tors. eta vs tors. theta energy: -109.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.149 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 240
Temperature: 1.000000
Total energy: -1307.532344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1307.532344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1307.532344 (E_RNA)
where:
Base-Base interactions energy: -896.735
where: short stacking energy: -380.408
Base-Backbone interact. energy: -2.316
local terms energy: -408.481131
where:
bonds (distance) C4'-P energy: -73.778
bonds (distance) P-C4' energy: -68.393
flat angles C4'-P-C4' energy: -86.630
flat angles P-C4'-P energy: -62.231
tors. eta vs tors. theta energy: -117.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 240
Temperature: 1.050000
Total energy: -1228.923127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1228.923127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1228.923127 (E_RNA)
where:
Base-Base interactions energy: -836.744
where: short stacking energy: -371.123
Base-Backbone interact. energy: 2.791
local terms energy: -394.969277
where:
bonds (distance) C4'-P energy: -81.065
bonds (distance) P-C4' energy: -72.490
flat angles C4'-P-C4' energy: -81.418
flat angles P-C4'-P energy: -52.814
tors. eta vs tors. theta energy: -107.182
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: 8
=====================================
Write number: 240
Temperature: 1.100000
Total energy: -1110.393978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1110.393978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1110.393978 (E_RNA)
where:
Base-Base interactions energy: -734.263
where: short stacking energy: -354.956
Base-Backbone interact. energy: -2.089
local terms energy: -374.041879
where:
bonds (distance) C4'-P energy: -68.670
bonds (distance) P-C4' energy: -64.857
flat angles C4'-P-C4' energy: -81.505
flat angles P-C4'-P energy: -62.436
tors. eta vs tors. theta energy: -96.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 240
Temperature: 1.150000
Total energy: -1012.413104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1012.413104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1012.413104 (E_RNA)
where:
Base-Base interactions energy: -657.636
where: short stacking energy: -291.242
Base-Backbone interact. energy: -1.504
local terms energy: -353.273240
where:
bonds (distance) C4'-P energy: -75.875
bonds (distance) P-C4' energy: -72.736
flat angles C4'-P-C4' energy: -84.409
flat angles P-C4'-P energy: -46.672
tors. eta vs tors. theta energy: -73.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 240
Temperature: 1.200000
Total energy: -867.006208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -867.006208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -867.006208 (E_RNA)
where:
Base-Base interactions energy: -556.877
where: short stacking energy: -240.475
Base-Backbone interact. energy: -3.008
local terms energy: -307.121689
where:
bonds (distance) C4'-P energy: -62.166
bonds (distance) P-C4' energy: -74.964
flat angles C4'-P-C4' energy: -74.033
flat angles P-C4'-P energy: -41.755
tors. eta vs tors. theta energy: -54.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 240
Temperature: 1.250000
Total energy: -629.782532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -629.782532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -629.782532 (E_RNA)
where:
Base-Base interactions energy: -347.838
where: short stacking energy: -174.602
Base-Backbone interact. energy: -0.312
local terms energy: -281.632408
where:
bonds (distance) C4'-P energy: -68.878
bonds (distance) P-C4' energy: -66.532
flat angles C4'-P-C4' energy: -70.699
flat angles P-C4'-P energy: -46.184
tors. eta vs tors. theta energy: -29.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 240
Temperature: 1.300000
Total energy: -562.918843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -562.918843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -562.918843 (E_RNA)
where:
Base-Base interactions energy: -323.550
where: short stacking energy: -152.604
Base-Backbone interact. energy: 0.158
local terms energy: -239.526408
where:
bonds (distance) C4'-P energy: -70.287
bonds (distance) P-C4' energy: -69.166
flat angles C4'-P-C4' energy: -55.947
flat angles P-C4'-P energy: -28.705
tors. eta vs tors. theta energy: -15.422
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: 2
=====================================
Write number: 240
Temperature: 1.350000
Total energy: -413.255557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.255557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.255557 (E_RNA)
where:
Base-Base interactions energy: -190.172
where: short stacking energy: -130.519
Base-Backbone interact. energy: -0.259
local terms energy: -222.824801
where:
bonds (distance) C4'-P energy: -69.392
bonds (distance) P-C4' energy: -75.786
flat angles C4'-P-C4' energy: -52.089
flat angles P-C4'-P energy: -25.729
tors. eta vs tors. theta energy: 0.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 241
Temperature: 0.900000
Total energy: -1394.634824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1394.634824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1394.634824 (E_RNA)
where:
Base-Base interactions energy: -963.807
where: short stacking energy: -415.496
Base-Backbone interact. energy: -3.951
local terms energy: -426.877666
where:
bonds (distance) C4'-P energy: -68.082
bonds (distance) P-C4' energy: -77.652
flat angles C4'-P-C4' energy: -96.568
flat angles P-C4'-P energy: -62.979
tors. eta vs tors. theta energy: -121.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 241
Temperature: 0.950000
Total energy: -1348.188981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1348.188981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1348.188981 (E_RNA)
where:
Base-Base interactions energy: -927.931
where: short stacking energy: -382.860
Base-Backbone interact. energy: -2.416
local terms energy: -417.842575
where:
bonds (distance) C4'-P energy: -79.712
bonds (distance) P-C4' energy: -83.635
flat angles C4'-P-C4' energy: -85.740
flat angles P-C4'-P energy: -52.818
tors. eta vs tors. theta energy: -115.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 241
Temperature: 1.000000
Total energy: -1294.223127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1294.223127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1294.223127 (E_RNA)
where:
Base-Base interactions energy: -885.940
where: short stacking energy: -384.041
Base-Backbone interact. energy: -1.653
local terms energy: -406.630065
where:
bonds (distance) C4'-P energy: -74.824
bonds (distance) P-C4' energy: -77.837
flat angles C4'-P-C4' energy: -82.937
flat angles P-C4'-P energy: -55.373
tors. eta vs tors. theta energy: -115.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 241
Temperature: 1.050000
Total energy: -1225.868079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1225.868079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1225.868079 (E_RNA)
where:
Base-Base interactions energy: -848.924
where: short stacking energy: -363.505
Base-Backbone interact. energy: -0.170
local terms energy: -376.773953
where:
bonds (distance) C4'-P energy: -68.627
bonds (distance) P-C4' energy: -71.975
flat angles C4'-P-C4' energy: -73.426
flat angles P-C4'-P energy: -58.213
tors. eta vs tors. theta energy: -104.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 241
Temperature: 1.100000
Total energy: -1108.485561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1108.485561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1108.485561 (E_RNA)
where:
Base-Base interactions energy: -730.503
where: short stacking energy: -343.028
Base-Backbone interact. energy: -3.161
local terms energy: -374.822239
where:
bonds (distance) C4'-P energy: -65.286
bonds (distance) P-C4' energy: -71.459
flat angles C4'-P-C4' energy: -82.060
flat angles P-C4'-P energy: -61.065
tors. eta vs tors. theta energy: -94.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 241
Temperature: 1.150000
Total energy: -1009.164975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1009.164975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1009.164975 (E_RNA)
where:
Base-Base interactions energy: -675.870
where: short stacking energy: -299.780
Base-Backbone interact. energy: -2.631
local terms energy: -330.663292
where:
bonds (distance) C4'-P energy: -59.919
bonds (distance) P-C4' energy: -68.852
flat angles C4'-P-C4' energy: -63.575
flat angles P-C4'-P energy: -55.415
tors. eta vs tors. theta energy: -82.902
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: 10
=====================================
Write number: 241
Temperature: 1.200000
Total energy: -914.888311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -914.888311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -914.888311 (E_RNA)
where:
Base-Base interactions energy: -598.356
where: short stacking energy: -255.378
Base-Backbone interact. energy: -2.076
local terms energy: -314.455736
where:
bonds (distance) C4'-P energy: -65.294
bonds (distance) P-C4' energy: -71.747
flat angles C4'-P-C4' energy: -73.119
flat angles P-C4'-P energy: -45.582
tors. eta vs tors. theta energy: -58.713
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: 8, replica: 6
=====================================
Write number: 241
Temperature: 1.250000
Total energy: -632.652773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -632.652773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -632.652773 (E_RNA)
where:
Base-Base interactions energy: -392.235
where: short stacking energy: -201.574
Base-Backbone interact. energy: 0.720
local terms energy: -241.138037
where:
bonds (distance) C4'-P energy: -61.259
bonds (distance) P-C4' energy: -62.849
flat angles C4'-P-C4' energy: -56.906
flat angles P-C4'-P energy: -36.579
tors. eta vs tors. theta energy: -23.544
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: 9, replica: 1
=====================================
Write number: 241
Temperature: 1.300000
Total energy: -492.385650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.385650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.385650 (E_RNA)
where:
Base-Base interactions energy: -271.447
where: short stacking energy: -141.230
Base-Backbone interact. energy: -1.531
local terms energy: -219.408083
where:
bonds (distance) C4'-P energy: -54.464
bonds (distance) P-C4' energy: -76.456
flat angles C4'-P-C4' energy: -46.587
flat angles P-C4'-P energy: -29.688
tors. eta vs tors. theta energy: -12.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 241
Temperature: 1.350000
Total energy: -414.694630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.694630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.694630 (E_RNA)
where:
Base-Base interactions energy: -201.767
where: short stacking energy: -131.333
Base-Backbone interact. energy: -1.251
local terms energy: -211.676455
where:
bonds (distance) C4'-P energy: -51.548
bonds (distance) P-C4' energy: -49.416
flat angles C4'-P-C4' energy: -68.524
flat angles P-C4'-P energy: -34.512
tors. eta vs tors. theta energy: -7.675
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: 1, replica: 7
=====================================
Write number: 242
Temperature: 0.900000
Total energy: -1394.535123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1394.535123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1394.535123 (E_RNA)
where:
Base-Base interactions energy: -957.698
where: short stacking energy: -427.734
Base-Backbone interact. energy: -2.534
local terms energy: -434.303151
where:
bonds (distance) C4'-P energy: -84.307
bonds (distance) P-C4' energy: -77.512
flat angles C4'-P-C4' energy: -87.027
flat angles P-C4'-P energy: -62.139
tors. eta vs tors. theta energy: -123.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 242
Temperature: 0.950000
Total energy: -1324.429617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1324.429617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1324.429617 (E_RNA)
where:
Base-Base interactions energy: -925.915
where: short stacking energy: -393.086
Base-Backbone interact. energy: -2.060
local terms energy: -396.454242
where:
bonds (distance) C4'-P energy: -61.187
bonds (distance) P-C4' energy: -72.539
flat angles C4'-P-C4' energy: -88.505
flat angles P-C4'-P energy: -59.075
tors. eta vs tors. theta energy: -115.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 242
Temperature: 1.000000
Total energy: -1257.131828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1257.131828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1257.131828 (E_RNA)
where:
Base-Base interactions energy: -859.928
where: short stacking energy: -350.297
Base-Backbone interact. energy: -0.976
local terms energy: -396.227100
where:
bonds (distance) C4'-P energy: -72.254
bonds (distance) P-C4' energy: -70.603
flat angles C4'-P-C4' energy: -89.472
flat angles P-C4'-P energy: -55.048
tors. eta vs tors. theta energy: -108.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 242
Temperature: 1.050000
Total energy: -1196.617474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1196.617474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1196.617474 (E_RNA)
where:
Base-Base interactions energy: -827.369
where: short stacking energy: -366.171
Base-Backbone interact. energy: 0.143
local terms energy: -369.391838
where:
bonds (distance) C4'-P energy: -65.242
bonds (distance) P-C4' energy: -71.343
flat angles C4'-P-C4' energy: -83.037
flat angles P-C4'-P energy: -55.356
tors. eta vs tors. theta energy: -94.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 242
Temperature: 1.100000
Total energy: -1122.902053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1122.902053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1122.902053 (E_RNA)
where:
Base-Base interactions energy: -754.863
where: short stacking energy: -339.857
Base-Backbone interact. energy: -1.559
local terms energy: -366.480589
where:
bonds (distance) C4'-P energy: -70.371
bonds (distance) P-C4' energy: -67.841
flat angles C4'-P-C4' energy: -77.490
flat angles P-C4'-P energy: -58.331
tors. eta vs tors. theta energy: -92.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 242
Temperature: 1.150000
Total energy: -1015.313496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1015.313496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1015.313496 (E_RNA)
where:
Base-Base interactions energy: -679.615
where: short stacking energy: -306.685
Base-Backbone interact. energy: -0.784
local terms energy: -334.914748
where:
bonds (distance) C4'-P energy: -67.105
bonds (distance) P-C4' energy: -61.883
flat angles C4'-P-C4' energy: -83.015
flat angles P-C4'-P energy: -51.699
tors. eta vs tors. theta energy: -71.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 242
Temperature: 1.200000
Total energy: -887.394856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -887.394856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -887.394856 (E_RNA)
where:
Base-Base interactions energy: -604.933
where: short stacking energy: -266.474
Base-Backbone interact. energy: -1.887
local terms energy: -280.574900
where:
bonds (distance) C4'-P energy: -68.173
bonds (distance) P-C4' energy: -67.820
flat angles C4'-P-C4' energy: -61.117
flat angles P-C4'-P energy: -30.234
tors. eta vs tors. theta energy: -53.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 242
Temperature: 1.250000
Total energy: -604.748018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -604.748018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -604.748018 (E_RNA)
where:
Base-Base interactions energy: -348.625
where: short stacking energy: -164.014
Base-Backbone interact. energy: -0.324
local terms energy: -255.799973
where:
bonds (distance) C4'-P energy: -54.158
bonds (distance) P-C4' energy: -73.287
flat angles C4'-P-C4' energy: -62.774
flat angles P-C4'-P energy: -39.846
tors. eta vs tors. theta energy: -25.736
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: 242
Temperature: 1.300000
Total energy: -479.249620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.249620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.249620 (E_RNA)
where:
Base-Base interactions energy: -250.236
where: short stacking energy: -142.198
Base-Backbone interact. energy: -0.720
local terms energy: -228.293898
where:
bonds (distance) C4'-P energy: -64.200
bonds (distance) P-C4' energy: -65.029
flat angles C4'-P-C4' energy: -54.373
flat angles P-C4'-P energy: -30.665
tors. eta vs tors. theta energy: -14.027
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: 2
=====================================
Write number: 242
Temperature: 1.350000
Total energy: -420.579323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.579323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.579323 (E_RNA)
where:
Base-Base interactions energy: -214.527
where: short stacking energy: -135.103
Base-Backbone interact. energy: -0.200
local terms energy: -206.380823
where:
bonds (distance) C4'-P energy: -67.063
bonds (distance) P-C4' energy: -60.248
flat angles C4'-P-C4' energy: -53.474
flat angles P-C4'-P energy: -27.927
tors. eta vs tors. theta energy: 2.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.528 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 243
Temperature: 0.900000
Total energy: -1401.142056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1401.142056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1401.142056 (E_RNA)
where:
Base-Base interactions energy: -972.998
where: short stacking energy: -430.061
Base-Backbone interact. energy: -2.769
local terms energy: -425.374993
where:
bonds (distance) C4'-P energy: -73.349
bonds (distance) P-C4' energy: -72.599
flat angles C4'-P-C4' energy: -90.206
flat angles P-C4'-P energy: -59.818
tors. eta vs tors. theta energy: -129.403
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: 3
=====================================
Write number: 243
Temperature: 0.950000
Total energy: -1337.998987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1337.998987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1337.998987 (E_RNA)
where:
Base-Base interactions energy: -935.674
where: short stacking energy: -411.134
Base-Backbone interact. energy: -2.037
local terms energy: -400.287461
where:
bonds (distance) C4'-P energy: -76.809
bonds (distance) P-C4' energy: -58.679
flat angles C4'-P-C4' energy: -84.841
flat angles P-C4'-P energy: -55.331
tors. eta vs tors. theta energy: -124.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 243
Temperature: 1.000000
Total energy: -1275.905845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1275.905845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1275.905845 (E_RNA)
where:
Base-Base interactions energy: -848.981
where: short stacking energy: -379.797
Base-Backbone interact. energy: -1.172
local terms energy: -425.753084
where:
bonds (distance) C4'-P energy: -77.480
bonds (distance) P-C4' energy: -76.307
flat angles C4'-P-C4' energy: -87.650
flat angles P-C4'-P energy: -69.495
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: 4, replica: 8
=====================================
Write number: 243
Temperature: 1.050000
Total energy: -1184.640605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1184.640605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1184.640605 (E_RNA)
where:
Base-Base interactions energy: -815.403
where: short stacking energy: -335.894
Base-Backbone interact. energy: 0.185
local terms energy: -369.422495
where:
bonds (distance) C4'-P energy: -74.585
bonds (distance) P-C4' energy: -72.622
flat angles C4'-P-C4' energy: -87.231
flat angles P-C4'-P energy: -51.149
tors. eta vs tors. theta energy: -83.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 243
Temperature: 1.100000
Total energy: -1136.533768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1136.533768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1136.533768 (E_RNA)
where:
Base-Base interactions energy: -748.257
where: short stacking energy: -340.243
Base-Backbone interact. energy: -1.745
local terms energy: -386.531388
where:
bonds (distance) C4'-P energy: -69.679
bonds (distance) P-C4' energy: -81.787
flat angles C4'-P-C4' energy: -84.160
flat angles P-C4'-P energy: -60.561
tors. eta vs tors. theta energy: -90.343
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: 4
=====================================
Write number: 243
Temperature: 1.150000
Total energy: -1010.337388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1010.337388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1010.337388 (E_RNA)
where:
Base-Base interactions energy: -674.571
where: short stacking energy: -303.717
Base-Backbone interact. energy: -1.120
local terms energy: -334.646579
where:
bonds (distance) C4'-P energy: -67.424
bonds (distance) P-C4' energy: -64.182
flat angles C4'-P-C4' energy: -83.015
flat angles P-C4'-P energy: -38.313
tors. eta vs tors. theta energy: -81.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 243
Temperature: 1.200000
Total energy: -882.797516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -882.797516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -882.797516 (E_RNA)
where:
Base-Base interactions energy: -590.749
where: short stacking energy: -249.897
Base-Backbone interact. energy: -2.044
local terms energy: -290.004792
where:
bonds (distance) C4'-P energy: -52.887
bonds (distance) P-C4' energy: -70.173
flat angles C4'-P-C4' energy: -77.389
flat angles P-C4'-P energy: -41.834
tors. eta vs tors. theta energy: -47.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 243
Temperature: 1.250000
Total energy: -675.256004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -675.256004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -675.256004 (E_RNA)
where:
Base-Base interactions energy: -395.317
where: short stacking energy: -205.910
Base-Backbone interact. energy: -1.066
local terms energy: -278.873039
where:
bonds (distance) C4'-P energy: -58.076
bonds (distance) P-C4' energy: -68.734
flat angles C4'-P-C4' energy: -65.122
flat angles P-C4'-P energy: -43.638
tors. eta vs tors. theta energy: -43.304
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: 9, replica: 1
=====================================
Write number: 243
Temperature: 1.300000
Total energy: -489.850514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.850514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.850514 (E_RNA)
where:
Base-Base interactions energy: -257.287
where: short stacking energy: -140.069
Base-Backbone interact. energy: 0.405
local terms energy: -232.968550
where:
bonds (distance) C4'-P energy: -72.008
bonds (distance) P-C4' energy: -62.626
flat angles C4'-P-C4' energy: -45.179
flat angles P-C4'-P energy: -42.827
tors. eta vs tors. theta energy: -10.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 243
Temperature: 1.350000
Total energy: -414.493833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.493833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.493833 (E_RNA)
where:
Base-Base interactions energy: -204.146
where: short stacking energy: -138.901
Base-Backbone interact. energy: -1.591
local terms energy: -208.764481
where:
bonds (distance) C4'-P energy: -51.539
bonds (distance) P-C4' energy: -66.191
flat angles C4'-P-C4' energy: -55.498
flat angles P-C4'-P energy: -33.078
tors. eta vs tors. theta energy: -2.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.007 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 244
Temperature: 0.900000
Total energy: -1395.429328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1395.429328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1395.429328 (E_RNA)
where:
Base-Base interactions energy: -968.256
where: short stacking energy: -424.353
Base-Backbone interact. energy: -1.090
local terms energy: -426.083332
where:
bonds (distance) C4'-P energy: -77.113
bonds (distance) P-C4' energy: -77.670
flat angles C4'-P-C4' energy: -85.893
flat angles P-C4'-P energy: -64.662
tors. eta vs tors. theta energy: -120.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 244
Temperature: 0.950000
Total energy: -1335.684488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1335.684488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1335.684488 (E_RNA)
where:
Base-Base interactions energy: -918.889
where: short stacking energy: -386.617
Base-Backbone interact. energy: -1.317
local terms energy: -415.478849
where:
bonds (distance) C4'-P energy: -76.152
bonds (distance) P-C4' energy: -81.505
flat angles C4'-P-C4' energy: -86.133
flat angles P-C4'-P energy: -57.547
tors. eta vs tors. theta energy: -114.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 244
Temperature: 1.000000
Total energy: -1287.545275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1287.545275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1287.545275 (E_RNA)
where:
Base-Base interactions energy: -894.673
where: short stacking energy: -373.071
Base-Backbone interact. energy: 0.357
local terms energy: -393.229115
where:
bonds (distance) C4'-P energy: -66.992
bonds (distance) P-C4' energy: -66.881
flat angles C4'-P-C4' energy: -87.251
flat angles P-C4'-P energy: -60.375
tors. eta vs tors. theta energy: -111.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 244
Temperature: 1.050000
Total energy: -1173.351268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1173.351268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1173.351268 (E_RNA)
where:
Base-Base interactions energy: -810.966
where: short stacking energy: -339.639
Base-Backbone interact. energy: 1.195
local terms energy: -363.580139
where:
bonds (distance) C4'-P energy: -63.165
bonds (distance) P-C4' energy: -77.595
flat angles C4'-P-C4' energy: -76.683
flat angles P-C4'-P energy: -51.151
tors. eta vs tors. theta energy: -94.985
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: 4
=====================================
Write number: 244
Temperature: 1.100000
Total energy: -1058.353650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1058.353650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1058.353650 (E_RNA)
where:
Base-Base interactions energy: -712.374
where: short stacking energy: -319.712
Base-Backbone interact. energy: 2.267
local terms energy: -348.246955
where:
bonds (distance) C4'-P energy: -74.022
bonds (distance) P-C4' energy: -67.208
flat angles C4'-P-C4' energy: -75.976
flat angles P-C4'-P energy: -47.683
tors. eta vs tors. theta energy: -83.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 244
Temperature: 1.150000
Total energy: -1078.546024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1078.546024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1078.546024 (E_RNA)
where:
Base-Base interactions energy: -744.025
where: short stacking energy: -314.965
Base-Backbone interact. energy: 0.956
local terms energy: -335.477830
where:
bonds (distance) C4'-P energy: -70.098
bonds (distance) P-C4' energy: -76.480
flat angles C4'-P-C4' energy: -61.818
flat angles P-C4'-P energy: -49.284
tors. eta vs tors. theta energy: -77.798
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: 10
=====================================
Write number: 244
Temperature: 1.200000
Total energy: -914.216696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -914.216696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -914.216696 (E_RNA)
where:
Base-Base interactions energy: -601.053
where: short stacking energy: -269.897
Base-Backbone interact. energy: 0.205
local terms energy: -313.368315
where:
bonds (distance) C4'-P energy: -68.571
bonds (distance) P-C4' energy: -61.606
flat angles C4'-P-C4' energy: -68.841
flat angles P-C4'-P energy: -49.915
tors. eta vs tors. theta energy: -64.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 244
Temperature: 1.250000
Total energy: -619.688624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -619.688624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -619.688624 (E_RNA)
where:
Base-Base interactions energy: -340.021
where: short stacking energy: -169.611
Base-Backbone interact. energy: -1.384
local terms energy: -278.283554
where:
bonds (distance) C4'-P energy: -65.932
bonds (distance) P-C4' energy: -75.861
flat angles C4'-P-C4' energy: -73.736
flat angles P-C4'-P energy: -27.093
tors. eta vs tors. theta energy: -35.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 244
Temperature: 1.300000
Total energy: -490.918718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.918718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.918718 (E_RNA)
where:
Base-Base interactions energy: -267.475
where: short stacking energy: -147.960
Base-Backbone interact. energy: 0.845
local terms energy: -224.288160
where:
bonds (distance) C4'-P energy: -41.551
bonds (distance) P-C4' energy: -66.770
flat angles C4'-P-C4' energy: -58.955
flat angles P-C4'-P energy: -37.006
tors. eta vs tors. theta energy: -20.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 244
Temperature: 1.350000
Total energy: -402.188702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.188702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.188702 (E_RNA)
where:
Base-Base interactions energy: -176.361
where: short stacking energy: -110.948
Base-Backbone interact. energy: 3.594
local terms energy: -232.235557
where:
bonds (distance) C4'-P energy: -69.380
bonds (distance) P-C4' energy: -75.376
flat angles C4'-P-C4' energy: -62.680
flat angles P-C4'-P energy: -34.599
tors. eta vs tors. theta energy: 9.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 2.815 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 245
Temperature: 0.900000
Total energy: -1402.928679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1402.928679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1402.928679 (E_RNA)
where:
Base-Base interactions energy: -967.632
where: short stacking energy: -424.329
Base-Backbone interact. energy: -2.113
local terms energy: -433.183987
where:
bonds (distance) C4'-P energy: -74.469
bonds (distance) P-C4' energy: -75.206
flat angles C4'-P-C4' energy: -88.689
flat angles P-C4'-P energy: -66.389
tors. eta vs tors. theta energy: -128.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 245
Temperature: 0.950000
Total energy: -1345.809954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1345.809954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1345.809954 (E_RNA)
where:
Base-Base interactions energy: -920.306
where: short stacking energy: -389.448
Base-Backbone interact. energy: -1.330
local terms energy: -424.173425
where:
bonds (distance) C4'-P energy: -75.024
bonds (distance) P-C4' energy: -79.862
flat angles C4'-P-C4' energy: -83.756
flat angles P-C4'-P energy: -67.941
tors. eta vs tors. theta energy: -117.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 245
Temperature: 1.000000
Total energy: -1287.773883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1287.773883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1287.773883 (E_RNA)
where:
Base-Base interactions energy: -882.523
where: short stacking energy: -386.085
Base-Backbone interact. energy: -1.769
local terms energy: -403.481997
where:
bonds (distance) C4'-P energy: -67.744
bonds (distance) P-C4' energy: -77.552
flat angles C4'-P-C4' energy: -89.128
flat angles P-C4'-P energy: -60.240
tors. eta vs tors. theta energy: -108.818
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: 8
=====================================
Write number: 245
Temperature: 1.050000
Total energy: -1172.628379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1172.628379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1172.628379 (E_RNA)
where:
Base-Base interactions energy: -799.989
where: short stacking energy: -367.959
Base-Backbone interact. energy: -2.470
local terms energy: -370.169219
where:
bonds (distance) C4'-P energy: -68.623
bonds (distance) P-C4' energy: -69.562
flat angles C4'-P-C4' energy: -77.340
flat angles P-C4'-P energy: -54.910
tors. eta vs tors. theta energy: -99.734
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: 5, replica: 4
=====================================
Write number: 245
Temperature: 1.100000
Total energy: -1101.580557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1101.580557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1101.580557 (E_RNA)
where:
Base-Base interactions energy: -760.732
where: short stacking energy: -342.515
Base-Backbone interact. energy: -4.446
local terms energy: -336.402437
where:
bonds (distance) C4'-P energy: -58.864
bonds (distance) P-C4' energy: -56.192
flat angles C4'-P-C4' energy: -81.863
flat angles P-C4'-P energy: -54.203
tors. eta vs tors. theta energy: -85.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 245
Temperature: 1.150000
Total energy: -1065.540397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1065.540397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1065.540397 (E_RNA)
where:
Base-Base interactions energy: -727.328
where: short stacking energy: -306.455
Base-Backbone interact. energy: 2.245
local terms energy: -340.456693
where:
bonds (distance) C4'-P energy: -70.219
bonds (distance) P-C4' energy: -74.795
flat angles C4'-P-C4' energy: -77.379
flat angles P-C4'-P energy: -46.176
tors. eta vs tors. theta energy: -71.888
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: 245
Temperature: 1.200000
Total energy: -920.079017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -920.079017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -920.079017 (E_RNA)
where:
Base-Base interactions energy: -607.711
where: short stacking energy: -260.920
Base-Backbone interact. energy: 3.443
local terms energy: -315.811813
where:
bonds (distance) C4'-P energy: -66.030
bonds (distance) P-C4' energy: -65.117
flat angles C4'-P-C4' energy: -73.835
flat angles P-C4'-P energy: -44.954
tors. eta vs tors. theta energy: -65.876
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: 8, replica: 6
=====================================
Write number: 245
Temperature: 1.250000
Total energy: -662.519026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -662.519026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -662.519026 (E_RNA)
where:
Base-Base interactions energy: -412.082
where: short stacking energy: -205.636
Base-Backbone interact. energy: -1.465
local terms energy: -248.971965
where:
bonds (distance) C4'-P energy: -54.095
bonds (distance) P-C4' energy: -61.390
flat angles C4'-P-C4' energy: -66.230
flat angles P-C4'-P energy: -45.230
tors. eta vs tors. theta energy: -22.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 245
Temperature: 1.300000
Total energy: -484.804872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.804872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.804872 (E_RNA)
where:
Base-Base interactions energy: -266.192
where: short stacking energy: -146.098
Base-Backbone interact. energy: 2.202
local terms energy: -220.815268
where:
bonds (distance) C4'-P energy: -49.933
bonds (distance) P-C4' energy: -68.396
flat angles C4'-P-C4' energy: -52.804
flat angles P-C4'-P energy: -32.401
tors. eta vs tors. theta energy: -17.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 245
Temperature: 1.350000
Total energy: -415.540082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.540082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.540082 (E_RNA)
where:
Base-Base interactions energy: -165.515
where: short stacking energy: -103.653
Base-Backbone interact. energy: -0.459
local terms energy: -249.566920
where:
bonds (distance) C4'-P energy: -78.117
bonds (distance) P-C4' energy: -66.949
flat angles C4'-P-C4' energy: -67.871
flat angles P-C4'-P energy: -32.834
tors. eta vs tors. theta energy: -3.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 246
Temperature: 0.900000
Total energy: -1393.352326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1393.352326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1393.352326 (E_RNA)
where:
Base-Base interactions energy: -969.549
where: short stacking energy: -417.638
Base-Backbone interact. energy: 0.637
local terms energy: -424.440640
where:
bonds (distance) C4'-P energy: -72.062
bonds (distance) P-C4' energy: -80.706
flat angles C4'-P-C4' energy: -91.645
flat angles P-C4'-P energy: -60.587
tors. eta vs tors. theta energy: -119.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 246
Temperature: 0.950000
Total energy: -1337.689454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1337.689454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1337.689454 (E_RNA)
where:
Base-Base interactions energy: -924.528
where: short stacking energy: -394.270
Base-Backbone interact. energy: -1.002
local terms energy: -412.159620
where:
bonds (distance) C4'-P energy: -67.406
bonds (distance) P-C4' energy: -82.549
flat angles C4'-P-C4' energy: -86.981
flat angles P-C4'-P energy: -53.147
tors. eta vs tors. theta energy: -122.076
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: 3, replica: 5
=====================================
Write number: 246
Temperature: 1.000000
Total energy: -1324.203290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1324.203290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1324.203290 (E_RNA)
where:
Base-Base interactions energy: -909.516
where: short stacking energy: -396.082
Base-Backbone interact. energy: -1.067
local terms energy: -413.620165
where:
bonds (distance) C4'-P energy: -69.589
bonds (distance) P-C4' energy: -77.831
flat angles C4'-P-C4' energy: -85.570
flat angles P-C4'-P energy: -59.328
tors. eta vs tors. theta energy: -121.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 246
Temperature: 1.050000
Total energy: -1176.355439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1176.355439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1176.355439 (E_RNA)
where:
Base-Base interactions energy: -799.114
where: short stacking energy: -361.086
Base-Backbone interact. energy: 1.799
local terms energy: -379.039716
where:
bonds (distance) C4'-P energy: -71.182
bonds (distance) P-C4' energy: -73.770
flat angles C4'-P-C4' energy: -80.714
flat angles P-C4'-P energy: -49.260
tors. eta vs tors. theta energy: -104.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 246
Temperature: 1.100000
Total energy: -1060.407466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1060.407466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1060.407466 (E_RNA)
where:
Base-Base interactions energy: -702.787
where: short stacking energy: -311.215
Base-Backbone interact. energy: -2.493
local terms energy: -355.126860
where:
bonds (distance) C4'-P energy: -58.862
bonds (distance) P-C4' energy: -79.856
flat angles C4'-P-C4' energy: -84.785
flat angles P-C4'-P energy: -47.359
tors. eta vs tors. theta energy: -84.265
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: 9
=====================================
Write number: 246
Temperature: 1.150000
Total energy: -1051.372277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1051.372277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1051.372277 (E_RNA)
where:
Base-Base interactions energy: -710.627
where: short stacking energy: -303.070
Base-Backbone interact. energy: -1.862
local terms energy: -338.883648
where:
bonds (distance) C4'-P energy: -61.103
bonds (distance) P-C4' energy: -72.065
flat angles C4'-P-C4' energy: -86.700
flat angles P-C4'-P energy: -42.742
tors. eta vs tors. theta energy: -76.274
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: 10
=====================================
Write number: 246
Temperature: 1.200000
Total energy: -874.524203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -874.524203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -874.524203 (E_RNA)
where:
Base-Base interactions energy: -568.427
where: short stacking energy: -241.342
Base-Backbone interact. energy: 0.543
local terms energy: -306.640509
where:
bonds (distance) C4'-P energy: -73.441
bonds (distance) P-C4' energy: -81.204
flat angles C4'-P-C4' energy: -67.567
flat angles P-C4'-P energy: -41.167
tors. eta vs tors. theta energy: -43.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 246
Temperature: 1.250000
Total energy: -652.878866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -652.878866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -652.878866 (E_RNA)
where:
Base-Base interactions energy: -395.345
where: short stacking energy: -207.959
Base-Backbone interact. energy: 0.578
local terms energy: -258.111673
where:
bonds (distance) C4'-P energy: -40.725
bonds (distance) P-C4' energy: -70.867
flat angles C4'-P-C4' energy: -73.516
flat angles P-C4'-P energy: -36.500
tors. eta vs tors. theta energy: -36.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 246
Temperature: 1.300000
Total energy: -425.663222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.663222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.663222 (E_RNA)
where:
Base-Base interactions energy: -221.065
where: short stacking energy: -137.180
Base-Backbone interact. energy: -0.022
local terms energy: -204.576180
where:
bonds (distance) C4'-P energy: -64.451
bonds (distance) P-C4' energy: -65.907
flat angles C4'-P-C4' energy: -42.699
flat angles P-C4'-P energy: -27.631
tors. eta vs tors. theta energy: -3.888
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: 10, replica: 1
=====================================
Write number: 246
Temperature: 1.350000
Total energy: -457.760806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.760806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.760806 (E_RNA)
where:
Base-Base interactions energy: -218.807
where: short stacking energy: -110.461
Base-Backbone interact. energy: 0.242
local terms energy: -239.195139
where:
bonds (distance) C4'-P energy: -52.212
bonds (distance) P-C4' energy: -76.068
flat angles C4'-P-C4' energy: -63.366
flat angles P-C4'-P energy: -29.747
tors. eta vs tors. theta energy: -17.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 247
Temperature: 0.900000
Total energy: -1410.253544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1410.253544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1410.253544 (E_RNA)
where:
Base-Base interactions energy: -984.353
where: short stacking energy: -423.591
Base-Backbone interact. energy: -0.706
local terms energy: -425.195498
where:
bonds (distance) C4'-P energy: -70.779
bonds (distance) P-C4' energy: -81.016
flat angles C4'-P-C4' energy: -84.939
flat angles P-C4'-P energy: -65.922
tors. eta vs tors. theta energy: -122.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 247
Temperature: 0.950000
Total energy: -1330.522854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1330.522854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1330.522854 (E_RNA)
where:
Base-Base interactions energy: -901.074
where: short stacking energy: -394.761
Base-Backbone interact. energy: -0.711
local terms energy: -428.737955
where:
bonds (distance) C4'-P energy: -82.813
bonds (distance) P-C4' energy: -83.619
flat angles C4'-P-C4' energy: -83.105
flat angles P-C4'-P energy: -60.531
tors. eta vs tors. theta energy: -118.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 247
Temperature: 1.000000
Total energy: -1326.302961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1326.302961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1326.302961 (E_RNA)
where:
Base-Base interactions energy: -907.044
where: short stacking energy: -395.306
Base-Backbone interact. energy: -2.206
local terms energy: -417.052184
where:
bonds (distance) C4'-P energy: -71.835
bonds (distance) P-C4' energy: -81.987
flat angles C4'-P-C4' energy: -85.986
flat angles P-C4'-P energy: -53.814
tors. eta vs tors. theta energy: -123.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 247
Temperature: 1.050000
Total energy: -1164.699739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1164.699739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1164.699739 (E_RNA)
where:
Base-Base interactions energy: -765.084
where: short stacking energy: -327.893
Base-Backbone interact. energy: -2.188
local terms energy: -397.428069
where:
bonds (distance) C4'-P energy: -76.227
bonds (distance) P-C4' energy: -75.003
flat angles C4'-P-C4' energy: -83.112
flat angles P-C4'-P energy: -65.269
tors. eta vs tors. theta energy: -97.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 247
Temperature: 1.100000
Total energy: -1043.571725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1043.571725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1043.571725 (E_RNA)
where:
Base-Base interactions energy: -715.498
where: short stacking energy: -308.350
Base-Backbone interact. energy: -2.856
local terms energy: -325.217814
where:
bonds (distance) C4'-P energy: -79.287
bonds (distance) P-C4' energy: -58.943
flat angles C4'-P-C4' energy: -69.630
flat angles P-C4'-P energy: -42.711
tors. eta vs tors. theta energy: -74.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 247
Temperature: 1.150000
Total energy: -1095.113068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1095.113068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1095.113068 (E_RNA)
where:
Base-Base interactions energy: -732.293
where: short stacking energy: -313.423
Base-Backbone interact. energy: -0.274
local terms energy: -362.545311
where:
bonds (distance) C4'-P energy: -66.214
bonds (distance) P-C4' energy: -73.988
flat angles C4'-P-C4' energy: -83.650
flat angles P-C4'-P energy: -58.549
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: 10
=====================================
Write number: 247
Temperature: 1.200000
Total energy: -922.838712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -922.838712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -922.838712 (E_RNA)
where:
Base-Base interactions energy: -589.539
where: short stacking energy: -277.130
Base-Backbone interact. energy: -1.451
local terms energy: -331.848970
where:
bonds (distance) C4'-P energy: -68.290
bonds (distance) P-C4' energy: -73.140
flat angles C4'-P-C4' energy: -71.536
flat angles P-C4'-P energy: -52.733
tors. eta vs tors. theta energy: -66.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 247
Temperature: 1.250000
Total energy: -623.889222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -623.889222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -623.889222 (E_RNA)
where:
Base-Base interactions energy: -361.316
where: short stacking energy: -182.163
Base-Backbone interact. energy: -2.437
local terms energy: -260.136068
where:
bonds (distance) C4'-P energy: -55.264
bonds (distance) P-C4' energy: -72.878
flat angles C4'-P-C4' energy: -58.232
flat angles P-C4'-P energy: -47.842
tors. eta vs tors. theta energy: -25.920
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: 2
=====================================
Write number: 247
Temperature: 1.300000
Total energy: -427.448169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.448169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.448169 (E_RNA)
where:
Base-Base interactions energy: -207.423
where: short stacking energy: -107.289
Base-Backbone interact. energy: -0.333
local terms energy: -219.691501
where:
bonds (distance) C4'-P energy: -58.913
bonds (distance) P-C4' energy: -79.711
flat angles C4'-P-C4' energy: -56.772
flat angles P-C4'-P energy: -35.245
tors. eta vs tors. theta energy: 10.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 247
Temperature: 1.350000
Total energy: -470.810147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.810147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.810147 (E_RNA)
where:
Base-Base interactions energy: -276.759
where: short stacking energy: -139.617
Base-Backbone interact. energy: 1.556
local terms energy: -195.606915
where:
bonds (distance) C4'-P energy: -49.343
bonds (distance) P-C4' energy: -68.816
flat angles C4'-P-C4' energy: -52.701
flat angles P-C4'-P energy: -24.864
tors. eta vs tors. theta energy: 0.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 248
Temperature: 0.900000
Total energy: -1411.087818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1411.087818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1411.087818 (E_RNA)
where:
Base-Base interactions energy: -977.514
where: short stacking energy: -430.140
Base-Backbone interact. energy: -2.572
local terms energy: -431.001782
where:
bonds (distance) C4'-P energy: -71.057
bonds (distance) P-C4' energy: -83.699
flat angles C4'-P-C4' energy: -94.006
flat angles P-C4'-P energy: -63.313
tors. eta vs tors. theta energy: -118.928
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: 2, replica: 3
=====================================
Write number: 248
Temperature: 0.950000
Total energy: -1343.370315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1343.370315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1343.370315 (E_RNA)
where:
Base-Base interactions energy: -923.114
where: short stacking energy: -402.112
Base-Backbone interact. energy: -1.724
local terms energy: -418.531997
where:
bonds (distance) C4'-P energy: -70.717
bonds (distance) P-C4' energy: -69.482
flat angles C4'-P-C4' energy: -89.462
flat angles P-C4'-P energy: -66.386
tors. eta vs tors. theta energy: -122.486
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: 5
=====================================
Write number: 248
Temperature: 1.000000
Total energy: -1297.547340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1297.547340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1297.547340 (E_RNA)
where:
Base-Base interactions energy: -892.216
where: short stacking energy: -374.249
Base-Backbone interact. energy: -1.823
local terms energy: -403.509045
where:
bonds (distance) C4'-P energy: -69.276
bonds (distance) P-C4' energy: -77.804
flat angles C4'-P-C4' energy: -86.238
flat angles P-C4'-P energy: -63.760
tors. eta vs tors. theta energy: -106.431
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: 8
=====================================
Write number: 248
Temperature: 1.050000
Total energy: -1132.839907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1132.839907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1132.839907 (E_RNA)
where:
Base-Base interactions energy: -756.239
where: short stacking energy: -349.657
Base-Backbone interact. energy: 3.591
local terms energy: -380.191714
where:
bonds (distance) C4'-P energy: -61.815
bonds (distance) P-C4' energy: -79.980
flat angles C4'-P-C4' energy: -80.425
flat angles P-C4'-P energy: -56.117
tors. eta vs tors. theta energy: -101.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 248
Temperature: 1.100000
Total energy: -1114.503362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1114.503362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1114.503362 (E_RNA)
where:
Base-Base interactions energy: -763.627
where: short stacking energy: -309.205
Base-Backbone interact. energy: -1.978
local terms energy: -348.898262
where:
bonds (distance) C4'-P energy: -78.268
bonds (distance) P-C4' energy: -65.262
flat angles C4'-P-C4' energy: -76.144
flat angles P-C4'-P energy: -50.379
tors. eta vs tors. theta energy: -78.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 248
Temperature: 1.150000
Total energy: -1119.407497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1119.407497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1119.407497 (E_RNA)
where:
Base-Base interactions energy: -778.091
where: short stacking energy: -336.085
Base-Backbone interact. energy: -0.626
local terms energy: -340.691001
where:
bonds (distance) C4'-P energy: -67.035
bonds (distance) P-C4' energy: -55.591
flat angles C4'-P-C4' energy: -74.075
flat angles P-C4'-P energy: -40.839
tors. eta vs tors. theta energy: -103.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 248
Temperature: 1.200000
Total energy: -898.952141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -898.952141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -898.952141 (E_RNA)
where:
Base-Base interactions energy: -579.473
where: short stacking energy: -257.114
Base-Backbone interact. energy: -1.929
local terms energy: -317.550550
where:
bonds (distance) C4'-P energy: -62.786
bonds (distance) P-C4' energy: -69.804
flat angles C4'-P-C4' energy: -65.887
flat angles P-C4'-P energy: -53.130
tors. eta vs tors. theta energy: -65.944
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: 6
=====================================
Write number: 248
Temperature: 1.250000
Total energy: -626.250345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -626.250345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -626.250345 (E_RNA)
where:
Base-Base interactions energy: -346.550
where: short stacking energy: -181.936
Base-Backbone interact. energy: -1.373
local terms energy: -278.327120
where:
bonds (distance) C4'-P energy: -71.133
bonds (distance) P-C4' energy: -68.815
flat angles C4'-P-C4' energy: -61.989
flat angles P-C4'-P energy: -43.075
tors. eta vs tors. theta energy: -33.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 248
Temperature: 1.300000
Total energy: -476.466077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.466077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.466077 (E_RNA)
where:
Base-Base interactions energy: -247.819
where: short stacking energy: -130.492
Base-Backbone interact. energy: 3.650
local terms energy: -232.296930
where:
bonds (distance) C4'-P energy: -55.029
bonds (distance) P-C4' energy: -57.287
flat angles C4'-P-C4' energy: -72.705
flat angles P-C4'-P energy: -45.274
tors. eta vs tors. theta energy: -2.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 248
Temperature: 1.350000
Total energy: -456.962677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.962677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.962677 (E_RNA)
where:
Base-Base interactions energy: -242.641
where: short stacking energy: -117.174
Base-Backbone interact. energy: -0.199
local terms energy: -214.123205
where:
bonds (distance) C4'-P energy: -66.707
bonds (distance) P-C4' energy: -68.337
flat angles C4'-P-C4' energy: -60.321
flat angles P-C4'-P energy: -18.459
tors. eta vs tors. theta energy: -0.299
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: 1, replica: 7
=====================================
Write number: 249
Temperature: 0.900000
Total energy: -1413.340048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1413.340048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1413.340048 (E_RNA)
where:
Base-Base interactions energy: -977.842
where: short stacking energy: -421.882
Base-Backbone interact. energy: -1.032
local terms energy: -434.465713
where:
bonds (distance) C4'-P energy: -79.469
bonds (distance) P-C4' energy: -80.633
flat angles C4'-P-C4' energy: -88.390
flat angles P-C4'-P energy: -60.484
tors. eta vs tors. theta energy: -125.489
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: 3
=====================================
Write number: 249
Temperature: 0.950000
Total energy: -1349.662877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1349.662877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1349.662877 (E_RNA)
where:
Base-Base interactions energy: -928.375
where: short stacking energy: -393.212
Base-Backbone interact. energy: -2.331
local terms energy: -418.957315
where:
bonds (distance) C4'-P energy: -70.351
bonds (distance) P-C4' energy: -79.384
flat angles C4'-P-C4' energy: -84.713
flat angles P-C4'-P energy: -63.062
tors. eta vs tors. theta energy: -121.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 249
Temperature: 1.000000
Total energy: -1290.032737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1290.032737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1290.032737 (E_RNA)
where:
Base-Base interactions energy: -896.235
where: short stacking energy: -379.190
Base-Backbone interact. energy: 2.705
local terms energy: -396.502278
where:
bonds (distance) C4'-P energy: -69.649
bonds (distance) P-C4' energy: -70.581
flat angles C4'-P-C4' energy: -84.251
flat angles P-C4'-P energy: -63.388
tors. eta vs tors. theta energy: -108.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 249
Temperature: 1.050000
Total energy: -1120.842941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1120.842941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1120.842941 (E_RNA)
where:
Base-Base interactions energy: -775.225
where: short stacking energy: -303.741
Base-Backbone interact. energy: -4.852
local terms energy: -340.766506
where:
bonds (distance) C4'-P energy: -69.623
bonds (distance) P-C4' energy: -69.485
flat angles C4'-P-C4' energy: -74.780
flat angles P-C4'-P energy: -50.164
tors. eta vs tors. theta energy: -76.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 249
Temperature: 1.100000
Total energy: -1094.873891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1094.873891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1094.873891 (E_RNA)
where:
Base-Base interactions energy: -736.324
where: short stacking energy: -323.194
Base-Backbone interact. energy: -0.911
local terms energy: -357.638475
where:
bonds (distance) C4'-P energy: -67.404
bonds (distance) P-C4' energy: -80.246
flat angles C4'-P-C4' energy: -75.980
flat angles P-C4'-P energy: -52.745
tors. eta vs tors. theta energy: -81.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 249
Temperature: 1.150000
Total energy: -1140.728621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1140.728621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1140.728621 (E_RNA)
where:
Base-Base interactions energy: -784.646
where: short stacking energy: -328.889
Base-Backbone interact. energy: -1.326
local terms energy: -354.756344
where:
bonds (distance) C4'-P energy: -75.137
bonds (distance) P-C4' energy: -63.487
flat angles C4'-P-C4' energy: -86.114
flat angles P-C4'-P energy: -37.066
tors. eta vs tors. theta energy: -92.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 249
Temperature: 1.200000
Total energy: -902.315921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -902.315921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -902.315921 (E_RNA)
where:
Base-Base interactions energy: -586.237
where: short stacking energy: -258.666
Base-Backbone interact. energy: 1.125
local terms energy: -317.203822
where:
bonds (distance) C4'-P energy: -71.073
bonds (distance) P-C4' energy: -72.790
flat angles C4'-P-C4' energy: -67.354
flat angles P-C4'-P energy: -46.601
tors. eta vs tors. theta energy: -59.385
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: 6
=====================================
Write number: 249
Temperature: 1.250000
Total energy: -625.333830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -625.333830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -625.333830 (E_RNA)
where:
Base-Base interactions energy: -367.371
where: short stacking energy: -193.498
Base-Backbone interact. energy: 2.059
local terms energy: -260.022176
where:
bonds (distance) C4'-P energy: -62.320
bonds (distance) P-C4' energy: -61.295
flat angles C4'-P-C4' energy: -74.068
flat angles P-C4'-P energy: -27.125
tors. eta vs tors. theta energy: -35.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 249
Temperature: 1.300000
Total energy: -419.248487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.248487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.248487 (E_RNA)
where:
Base-Base interactions energy: -199.479
where: short stacking energy: -113.803
Base-Backbone interact. energy: 0.198
local terms energy: -219.966684
where:
bonds (distance) C4'-P energy: -66.673
bonds (distance) P-C4' energy: -51.692
flat angles C4'-P-C4' energy: -66.692
flat angles P-C4'-P energy: -28.837
tors. eta vs tors. theta energy: -6.073
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: 1
=====================================
Write number: 249
Temperature: 1.350000
Total energy: -456.213032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.213032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.213032 (E_RNA)
where:
Base-Base interactions energy: -244.911
where: short stacking energy: -140.257
Base-Backbone interact. energy: 2.221
local terms energy: -213.523478
where:
bonds (distance) C4'-P energy: -56.909
bonds (distance) P-C4' energy: -76.051
flat angles C4'-P-C4' energy: -53.772
flat angles P-C4'-P energy: -33.873
tors. eta vs tors. theta energy: 7.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 250
Temperature: 0.900000
Total energy: -1399.167263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1399.167263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1399.167263 (E_RNA)
where:
Base-Base interactions energy: -983.113
where: short stacking energy: -424.630
Base-Backbone interact. energy: -2.689
local terms energy: -413.365574
where:
bonds (distance) C4'-P energy: -77.023
bonds (distance) P-C4' energy: -72.144
flat angles C4'-P-C4' energy: -81.560
flat angles P-C4'-P energy: -58.096
tors. eta vs tors. theta energy: -124.542
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: 3
=====================================
Write number: 250
Temperature: 0.950000
Total energy: -1350.134945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1350.134945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1350.134945 (E_RNA)
where:
Base-Base interactions energy: -939.774
where: short stacking energy: -396.616
Base-Backbone interact. energy: -1.566
local terms energy: -408.795712
where:
bonds (distance) C4'-P energy: -72.032
bonds (distance) P-C4' energy: -70.591
flat angles C4'-P-C4' energy: -82.393
flat angles P-C4'-P energy: -63.291
tors. eta vs tors. theta energy: -120.488
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: 3, replica: 5
=====================================
Write number: 250
Temperature: 1.000000
Total energy: -1292.875131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1292.875131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1292.875131 (E_RNA)
where:
Base-Base interactions energy: -880.639
where: short stacking energy: -383.905
Base-Backbone interact. energy: -3.709
local terms energy: -408.527580
where:
bonds (distance) C4'-P energy: -77.412
bonds (distance) P-C4' energy: -74.570
flat angles C4'-P-C4' energy: -87.335
flat angles P-C4'-P energy: -55.487
tors. eta vs tors. theta energy: -113.724
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: 4, replica: 4
=====================================
Write number: 250
Temperature: 1.050000
Total energy: -1148.644006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1148.644006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1148.644006 (E_RNA)
where:
Base-Base interactions energy: -803.914
where: short stacking energy: -329.517
Base-Backbone interact. energy: -2.943
local terms energy: -341.787078
where:
bonds (distance) C4'-P energy: -56.725
bonds (distance) P-C4' energy: -72.241
flat angles C4'-P-C4' energy: -83.095
flat angles P-C4'-P energy: -53.938
tors. eta vs tors. theta energy: -75.788
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: 8
=====================================
Write number: 250
Temperature: 1.100000
Total energy: -1098.926352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1098.926352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1098.926352 (E_RNA)
where:
Base-Base interactions energy: -728.926
where: short stacking energy: -308.751
Base-Backbone interact. energy: -0.027
local terms energy: -369.972815
where:
bonds (distance) C4'-P energy: -72.813
bonds (distance) P-C4' energy: -72.767
flat angles C4'-P-C4' energy: -78.630
flat angles P-C4'-P energy: -63.007
tors. eta vs tors. theta energy: -82.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 250
Temperature: 1.150000
Total energy: -1119.368477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1119.368477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1119.368477 (E_RNA)
where:
Base-Base interactions energy: -772.513
where: short stacking energy: -329.924
Base-Backbone interact. energy: 2.632
local terms energy: -349.487674
where:
bonds (distance) C4'-P energy: -58.643
bonds (distance) P-C4' energy: -63.284
flat angles C4'-P-C4' energy: -91.681
flat angles P-C4'-P energy: -56.346
tors. eta vs tors. theta energy: -79.534
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: 10
=====================================
Write number: 250
Temperature: 1.200000
Total energy: -884.170274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -884.170274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -884.170274 (E_RNA)
where:
Base-Base interactions energy: -579.708
where: short stacking energy: -274.879
Base-Backbone interact. energy: 0.477
local terms energy: -304.938745
where:
bonds (distance) C4'-P energy: -68.193
bonds (distance) P-C4' energy: -64.291
flat angles C4'-P-C4' energy: -73.527
flat angles P-C4'-P energy: -47.812
tors. eta vs tors. theta energy: -51.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 250
Temperature: 1.250000
Total energy: -644.263129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -644.263129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -644.263129 (E_RNA)
where:
Base-Base interactions energy: -392.880
where: short stacking energy: -211.207
Base-Backbone interact. energy: 1.405
local terms energy: -252.787429
where:
bonds (distance) C4'-P energy: -54.111
bonds (distance) P-C4' energy: -63.566
flat angles C4'-P-C4' energy: -69.806
flat angles P-C4'-P energy: -33.598
tors. eta vs tors. theta energy: -31.706
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: 9, replica: 1
=====================================
Write number: 250
Temperature: 1.300000
Total energy: -542.655747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.655747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.655747 (E_RNA)
where:
Base-Base interactions energy: -289.872
where: short stacking energy: -156.180
Base-Backbone interact. energy: -2.361
local terms energy: -250.422759
where:
bonds (distance) C4'-P energy: -57.460
bonds (distance) P-C4' energy: -74.494
flat angles C4'-P-C4' energy: -57.956
flat angles P-C4'-P energy: -45.104
tors. eta vs tors. theta energy: -15.409
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: 2
=====================================
Write number: 250
Temperature: 1.350000
Total energy: -449.344620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.344620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.344620 (E_RNA)
where:
Base-Base interactions energy: -219.532
where: short stacking energy: -115.681
Base-Backbone interact. energy: -1.385
local terms energy: -228.427702
where:
bonds (distance) C4'-P energy: -60.887
bonds (distance) P-C4' energy: -58.708
flat angles C4'-P-C4' energy: -64.127
flat angles P-C4'-P energy: -34.371
tors. eta vs tors. theta energy: -10.334
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: 1, replica: 7
=====================================
Write number: 251
Temperature: 0.900000
Total energy: -1381.983496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1381.983496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1381.983496 (E_RNA)
where:
Base-Base interactions energy: -947.096
where: short stacking energy: -426.550
Base-Backbone interact. energy: 2.902
local terms energy: -437.789727
where:
bonds (distance) C4'-P energy: -80.926
bonds (distance) P-C4' energy: -79.333
flat angles C4'-P-C4' energy: -85.519
flat angles P-C4'-P energy: -68.206
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: 2, replica: 3
=====================================
Write number: 251
Temperature: 0.950000
Total energy: -1348.989169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1348.989169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1348.989169 (E_RNA)
where:
Base-Base interactions energy: -926.118
where: short stacking energy: -386.427
Base-Backbone interact. energy: -0.746
local terms energy: -422.125641
where:
bonds (distance) C4'-P energy: -76.133
bonds (distance) P-C4' energy: -74.657
flat angles C4'-P-C4' energy: -86.916
flat angles P-C4'-P energy: -62.401
tors. eta vs tors. theta energy: -122.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 251
Temperature: 1.000000
Total energy: -1301.298178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1301.298178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1301.298178 (E_RNA)
where:
Base-Base interactions energy: -898.632
where: short stacking energy: -384.672
Base-Backbone interact. energy: -2.194
local terms energy: -400.472203
where:
bonds (distance) C4'-P energy: -81.595
bonds (distance) P-C4' energy: -68.790
flat angles C4'-P-C4' energy: -76.986
flat angles P-C4'-P energy: -57.527
tors. eta vs tors. theta energy: -115.574
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: 8
=====================================
Write number: 251
Temperature: 1.050000
Total energy: -1177.548331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1177.548331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1177.548331 (E_RNA)
where:
Base-Base interactions energy: -833.833
where: short stacking energy: -355.091
Base-Backbone interact. energy: -2.093
local terms energy: -341.623023
where:
bonds (distance) C4'-P energy: -68.075
bonds (distance) P-C4' energy: -71.572
flat angles C4'-P-C4' energy: -71.246
flat angles P-C4'-P energy: -46.372
tors. eta vs tors. theta energy: -84.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 251
Temperature: 1.100000
Total energy: -1132.184485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1132.184485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1132.184485 (E_RNA)
where:
Base-Base interactions energy: -797.513
where: short stacking energy: -324.302
Base-Backbone interact. energy: -1.706
local terms energy: -332.966077
where:
bonds (distance) C4'-P energy: -64.060
bonds (distance) P-C4' energy: -72.770
flat angles C4'-P-C4' energy: -82.371
flat angles P-C4'-P energy: -45.147
tors. eta vs tors. theta energy: -68.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 251
Temperature: 1.150000
Total energy: -1132.164647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1132.164647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1132.164647 (E_RNA)
where:
Base-Base interactions energy: -782.049
where: short stacking energy: -327.737
Base-Backbone interact. energy: 1.414
local terms energy: -351.530314
where:
bonds (distance) C4'-P energy: -66.904
bonds (distance) P-C4' energy: -61.376
flat angles C4'-P-C4' energy: -83.501
flat angles P-C4'-P energy: -44.381
tors. eta vs tors. theta energy: -95.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 251
Temperature: 1.200000
Total energy: -901.543280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -901.543280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -901.543280 (E_RNA)
where:
Base-Base interactions energy: -585.957
where: short stacking energy: -254.752
Base-Backbone interact. energy: -2.122
local terms energy: -313.464634
where:
bonds (distance) C4'-P energy: -56.704
bonds (distance) P-C4' energy: -75.757
flat angles C4'-P-C4' energy: -70.199
flat angles P-C4'-P energy: -46.139
tors. eta vs tors. theta energy: -64.667
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: 6
=====================================
Write number: 251
Temperature: 1.250000
Total energy: -621.898783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -621.898783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -621.898783 (E_RNA)
where:
Base-Base interactions energy: -360.226
where: short stacking energy: -194.479
Base-Backbone interact. energy: 1.519
local terms energy: -263.191515
where:
bonds (distance) C4'-P energy: -61.911
bonds (distance) P-C4' energy: -68.246
flat angles C4'-P-C4' energy: -78.219
flat angles P-C4'-P energy: -31.473
tors. eta vs tors. theta energy: -23.344
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: 1
=====================================
Write number: 251
Temperature: 1.300000
Total energy: -503.386570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.386570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.386570 (E_RNA)
where:
Base-Base interactions energy: -243.349
where: short stacking energy: -121.799
Base-Backbone interact. energy: -0.859
local terms energy: -259.177965
where:
bonds (distance) C4'-P energy: -67.654
bonds (distance) P-C4' energy: -70.217
flat angles C4'-P-C4' energy: -74.959
flat angles P-C4'-P energy: -37.601
tors. eta vs tors. theta energy: -8.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 251
Temperature: 1.350000
Total energy: -444.182561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.182561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.182561 (E_RNA)
where:
Base-Base interactions energy: -213.241
where: short stacking energy: -114.161
Base-Backbone interact. energy: 1.806
local terms energy: -232.747056
where:
bonds (distance) C4'-P energy: -58.513
bonds (distance) P-C4' energy: -71.222
flat angles C4'-P-C4' energy: -61.550
flat angles P-C4'-P energy: -36.592
tors. eta vs tors. theta energy: -4.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 252
Temperature: 0.900000
Total energy: -1391.228893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1391.228893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1391.228893 (E_RNA)
where:
Base-Base interactions energy: -960.630
where: short stacking energy: -403.110
Base-Backbone interact. energy: -3.022
local terms energy: -427.576541
where:
bonds (distance) C4'-P energy: -81.713
bonds (distance) P-C4' energy: -80.356
flat angles C4'-P-C4' energy: -86.209
flat angles P-C4'-P energy: -63.181
tors. eta vs tors. theta energy: -116.117
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: 3
=====================================
Write number: 252
Temperature: 0.950000
Total energy: -1336.236074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1336.236074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1336.236074 (E_RNA)
where:
Base-Base interactions energy: -922.597
where: short stacking energy: -405.213
Base-Backbone interact. energy: -0.955
local terms energy: -412.684909
where:
bonds (distance) C4'-P energy: -71.567
bonds (distance) P-C4' energy: -74.099
flat angles C4'-P-C4' energy: -85.125
flat angles P-C4'-P energy: -60.197
tors. eta vs tors. theta energy: -121.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 252
Temperature: 1.000000
Total energy: -1322.987046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1322.987046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1322.987046 (E_RNA)
where:
Base-Base interactions energy: -916.783
where: short stacking energy: -382.620
Base-Backbone interact. energy: -4.066
local terms energy: -402.138683
where:
bonds (distance) C4'-P energy: -75.271
bonds (distance) P-C4' energy: -73.580
flat angles C4'-P-C4' energy: -83.143
flat angles P-C4'-P energy: -52.081
tors. eta vs tors. theta energy: -118.064
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: 8
=====================================
Write number: 252
Temperature: 1.050000
Total energy: -1194.769058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1194.769058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1194.769058 (E_RNA)
where:
Base-Base interactions energy: -824.414
where: short stacking energy: -346.595
Base-Backbone interact. energy: -0.289
local terms energy: -370.065732
where:
bonds (distance) C4'-P energy: -67.914
bonds (distance) P-C4' energy: -76.963
flat angles C4'-P-C4' energy: -75.883
flat angles P-C4'-P energy: -53.057
tors. eta vs tors. theta energy: -96.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 252
Temperature: 1.100000
Total energy: -1128.600548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1128.600548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1128.600548 (E_RNA)
where:
Base-Base interactions energy: -774.557
where: short stacking energy: -344.867
Base-Backbone interact. energy: -1.370
local terms energy: -352.672833
where:
bonds (distance) C4'-P energy: -77.303
bonds (distance) P-C4' energy: -60.558
flat angles C4'-P-C4' energy: -75.602
flat angles P-C4'-P energy: -51.829
tors. eta vs tors. theta energy: -87.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 252
Temperature: 1.150000
Total energy: -1092.011081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1092.011081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1092.011081 (E_RNA)
where:
Base-Base interactions energy: -739.296
where: short stacking energy: -288.470
Base-Backbone interact. energy: 2.431
local terms energy: -355.146689
where:
bonds (distance) C4'-P energy: -69.613
bonds (distance) P-C4' energy: -79.335
flat angles C4'-P-C4' energy: -76.273
flat angles P-C4'-P energy: -55.157
tors. eta vs tors. theta energy: -74.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 252
Temperature: 1.200000
Total energy: -892.127121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -892.127121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -892.127121 (E_RNA)
where:
Base-Base interactions energy: -591.699
where: short stacking energy: -276.589
Base-Backbone interact. energy: -0.486
local terms energy: -299.942934
where:
bonds (distance) C4'-P energy: -55.042
bonds (distance) P-C4' energy: -62.659
flat angles C4'-P-C4' energy: -78.331
flat angles P-C4'-P energy: -44.264
tors. eta vs tors. theta energy: -59.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 252
Temperature: 1.250000
Total energy: -662.706886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -662.706886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -662.706886 (E_RNA)
where:
Base-Base interactions energy: -380.519
where: short stacking energy: -213.537
Base-Backbone interact. energy: 6.336
local terms energy: -288.523224
where:
bonds (distance) C4'-P energy: -57.439
bonds (distance) P-C4' energy: -80.751
flat angles C4'-P-C4' energy: -73.849
flat angles P-C4'-P energy: -44.120
tors. eta vs tors. theta energy: -32.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 252
Temperature: 1.300000
Total energy: -498.453053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.453053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.453053 (E_RNA)
where:
Base-Base interactions energy: -264.171
where: short stacking energy: -135.653
Base-Backbone interact. energy: -0.770
local terms energy: -233.511806
where:
bonds (distance) C4'-P energy: -73.614
bonds (distance) P-C4' energy: -52.407
flat angles C4'-P-C4' energy: -66.619
flat angles P-C4'-P energy: -31.770
tors. eta vs tors. theta energy: -9.103
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: 2
=====================================
Write number: 252
Temperature: 1.350000
Total energy: -425.171871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.171871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.171871 (E_RNA)
where:
Base-Base interactions energy: -213.777
where: short stacking energy: -123.040
Base-Backbone interact. energy: -1.481
local terms energy: -209.913581
where:
bonds (distance) C4'-P energy: -59.402
bonds (distance) P-C4' energy: -74.622
flat angles C4'-P-C4' energy: -47.739
flat angles P-C4'-P energy: -35.058
tors. eta vs tors. theta energy: 6.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 253
Temperature: 0.900000
Total energy: -1389.765025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1389.765025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1389.765025 (E_RNA)
where:
Base-Base interactions energy: -975.319
where: short stacking energy: -415.528
Base-Backbone interact. energy: 3.182
local terms energy: -417.627849
where:
bonds (distance) C4'-P energy: -74.716
bonds (distance) P-C4' energy: -73.269
flat angles C4'-P-C4' energy: -82.143
flat angles P-C4'-P energy: -64.964
tors. eta vs tors. theta energy: -122.536
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: 2, replica: 3
=====================================
Write number: 253
Temperature: 0.950000
Total energy: -1318.147873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1318.147873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1318.147873 (E_RNA)
where:
Base-Base interactions energy: -911.498
where: short stacking energy: -403.399
Base-Backbone interact. energy: -1.059
local terms energy: -405.590647
where:
bonds (distance) C4'-P energy: -75.813
bonds (distance) P-C4' energy: -75.787
flat angles C4'-P-C4' energy: -80.292
flat angles P-C4'-P energy: -58.269
tors. eta vs tors. theta energy: -115.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 253
Temperature: 1.000000
Total energy: -1289.558946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1289.558946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1289.558946 (E_RNA)
where:
Base-Base interactions energy: -885.731
where: short stacking energy: -393.533
Base-Backbone interact. energy: -1.833
local terms energy: -402.426829
where:
bonds (distance) C4'-P energy: -67.877
bonds (distance) P-C4' energy: -71.547
flat angles C4'-P-C4' energy: -88.545
flat angles P-C4'-P energy: -57.457
tors. eta vs tors. theta energy: -117.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.431 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 253
Temperature: 1.050000
Total energy: -1188.177736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1188.177736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1188.177736 (E_RNA)
where:
Base-Base interactions energy: -810.279
where: short stacking energy: -334.266
Base-Backbone interact. energy: -0.821
local terms energy: -377.076889
where:
bonds (distance) C4'-P energy: -74.796
bonds (distance) P-C4' energy: -75.735
flat angles C4'-P-C4' energy: -85.934
flat angles P-C4'-P energy: -44.621
tors. eta vs tors. theta energy: -95.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 253
Temperature: 1.100000
Total energy: -1154.503968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1154.503968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1154.503968 (E_RNA)
where:
Base-Base interactions energy: -812.383
where: short stacking energy: -352.735
Base-Backbone interact. energy: 0.042
local terms energy: -342.162899
where:
bonds (distance) C4'-P energy: -52.907
bonds (distance) P-C4' energy: -72.689
flat angles C4'-P-C4' energy: -79.677
flat angles P-C4'-P energy: -46.293
tors. eta vs tors. theta energy: -90.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 253
Temperature: 1.150000
Total energy: -1086.620389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1086.620389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1086.620389 (E_RNA)
where:
Base-Base interactions energy: -745.313
where: short stacking energy: -309.540
Base-Backbone interact. energy: -3.165
local terms energy: -338.142511
where:
bonds (distance) C4'-P energy: -71.775
bonds (distance) P-C4' energy: -63.085
flat angles C4'-P-C4' energy: -78.330
flat angles P-C4'-P energy: -45.152
tors. eta vs tors. theta energy: -79.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 253
Temperature: 1.200000
Total energy: -888.171362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -888.171362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -888.171362 (E_RNA)
where:
Base-Base interactions energy: -582.556
where: short stacking energy: -252.024
Base-Backbone interact. energy: 3.609
local terms energy: -309.224583
where:
bonds (distance) C4'-P energy: -59.089
bonds (distance) P-C4' energy: -70.347
flat angles C4'-P-C4' energy: -71.677
flat angles P-C4'-P energy: -49.640
tors. eta vs tors. theta energy: -58.472
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: 6
=====================================
Write number: 253
Temperature: 1.250000
Total energy: -688.811816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -688.811816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -688.811816 (E_RNA)
where:
Base-Base interactions energy: -416.998
where: short stacking energy: -206.892
Base-Backbone interact. energy: -0.442
local terms energy: -271.371958
where:
bonds (distance) C4'-P energy: -59.578
bonds (distance) P-C4' energy: -71.619
flat angles C4'-P-C4' energy: -62.861
flat angles P-C4'-P energy: -40.850
tors. eta vs tors. theta energy: -36.464
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: 1
=====================================
Write number: 253
Temperature: 1.300000
Total energy: -501.148357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.148357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.148357 (E_RNA)
where:
Base-Base interactions energy: -259.753
where: short stacking energy: -155.841
Base-Backbone interact. energy: -1.901
local terms energy: -239.494842
where:
bonds (distance) C4'-P energy: -61.597
bonds (distance) P-C4' energy: -86.542
flat angles C4'-P-C4' energy: -52.580
flat angles P-C4'-P energy: -30.529
tors. eta vs tors. theta energy: -8.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 253
Temperature: 1.350000
Total energy: -452.715356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.715356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.715356 (E_RNA)
where:
Base-Base interactions energy: -252.112
where: short stacking energy: -134.561
Base-Backbone interact. energy: -0.010
local terms energy: -200.593091
where:
bonds (distance) C4'-P energy: -58.636
bonds (distance) P-C4' energy: -63.654
flat angles C4'-P-C4' energy: -40.312
flat angles P-C4'-P energy: -26.334
tors. eta vs tors. theta energy: -11.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 254
Temperature: 0.900000
Total energy: -1390.697852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1390.697852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1390.697852 (E_RNA)
where:
Base-Base interactions energy: -961.235
where: short stacking energy: -433.511
Base-Backbone interact. energy: -2.505
local terms energy: -426.958521
where:
bonds (distance) C4'-P energy: -76.203
bonds (distance) P-C4' energy: -76.024
flat angles C4'-P-C4' energy: -86.893
flat angles P-C4'-P energy: -65.680
tors. eta vs tors. theta energy: -122.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 254
Temperature: 0.950000
Total energy: -1336.401942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1336.401942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1336.401942 (E_RNA)
where:
Base-Base interactions energy: -919.763
where: short stacking energy: -392.889
Base-Backbone interact. energy: -1.936
local terms energy: -414.703089
where:
bonds (distance) C4'-P energy: -75.529
bonds (distance) P-C4' energy: -75.688
flat angles C4'-P-C4' energy: -82.853
flat angles P-C4'-P energy: -65.798
tors. eta vs tors. theta energy: -114.835
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: 5
=====================================
Write number: 254
Temperature: 1.000000
Total energy: -1303.332991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1303.332991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1303.332991 (E_RNA)
where:
Base-Base interactions energy: -888.596
where: short stacking energy: -402.917
Base-Backbone interact. energy: -1.455
local terms energy: -413.281454
where:
bonds (distance) C4'-P energy: -77.930
bonds (distance) P-C4' energy: -79.218
flat angles C4'-P-C4' energy: -77.470
flat angles P-C4'-P energy: -54.334
tors. eta vs tors. theta energy: -124.330
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: 8
=====================================
Write number: 254
Temperature: 1.050000
Total energy: -1161.540138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1161.540138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1161.540138 (E_RNA)
where:
Base-Base interactions energy: -777.465
where: short stacking energy: -319.745
Base-Backbone interact. energy: -1.818
local terms energy: -382.256720
where:
bonds (distance) C4'-P energy: -60.768
bonds (distance) P-C4' energy: -76.070
flat angles C4'-P-C4' energy: -85.974
flat angles P-C4'-P energy: -63.681
tors. eta vs tors. theta energy: -95.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 254
Temperature: 1.100000
Total energy: -1142.826518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1142.826518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1142.826518 (E_RNA)
where:
Base-Base interactions energy: -777.486
where: short stacking energy: -343.670
Base-Backbone interact. energy: -2.467
local terms energy: -362.873204
where:
bonds (distance) C4'-P energy: -64.205
bonds (distance) P-C4' energy: -80.511
flat angles C4'-P-C4' energy: -70.050
flat angles P-C4'-P energy: -51.124
tors. eta vs tors. theta energy: -96.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 254
Temperature: 1.150000
Total energy: -1077.826240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1077.826240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1077.826240 (E_RNA)
where:
Base-Base interactions energy: -745.103
where: short stacking energy: -308.280
Base-Backbone interact. energy: -3.398
local terms energy: -329.325307
where:
bonds (distance) C4'-P energy: -58.877
bonds (distance) P-C4' energy: -72.803
flat angles C4'-P-C4' energy: -70.146
flat angles P-C4'-P energy: -52.857
tors. eta vs tors. theta energy: -74.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 254
Temperature: 1.200000
Total energy: -870.996635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -870.996635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -870.996635 (E_RNA)
where:
Base-Base interactions energy: -567.734
where: short stacking energy: -265.701
Base-Backbone interact. energy: -0.694
local terms energy: -302.568573
where:
bonds (distance) C4'-P energy: -59.472
bonds (distance) P-C4' energy: -65.013
flat angles C4'-P-C4' energy: -72.860
flat angles P-C4'-P energy: -41.637
tors. eta vs tors. theta energy: -63.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 254
Temperature: 1.250000
Total energy: -719.142046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -719.142046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -719.142046 (E_RNA)
where:
Base-Base interactions energy: -449.515
where: short stacking energy: -220.760
Base-Backbone interact. energy: 0.236
local terms energy: -269.862498
where:
bonds (distance) C4'-P energy: -59.570
bonds (distance) P-C4' energy: -60.492
flat angles C4'-P-C4' energy: -63.718
flat angles P-C4'-P energy: -50.464
tors. eta vs tors. theta energy: -35.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 254
Temperature: 1.300000
Total energy: -506.622131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.622131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.622131 (E_RNA)
where:
Base-Base interactions energy: -254.479
where: short stacking energy: -144.897
Base-Backbone interact. energy: 0.975
local terms energy: -253.118042
where:
bonds (distance) C4'-P energy: -73.119
bonds (distance) P-C4' energy: -66.464
flat angles C4'-P-C4' energy: -66.669
flat angles P-C4'-P energy: -36.887
tors. eta vs tors. theta energy: -9.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 254
Temperature: 1.350000
Total energy: -411.421830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.421830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.421830 (E_RNA)
where:
Base-Base interactions energy: -170.527
where: short stacking energy: -108.491
Base-Backbone interact. energy: 1.135
local terms energy: -242.029233
where:
bonds (distance) C4'-P energy: -68.983
bonds (distance) P-C4' energy: -68.142
flat angles C4'-P-C4' energy: -61.849
flat angles P-C4'-P energy: -40.531
tors. eta vs tors. theta energy: -2.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 255
Temperature: 0.900000
Total energy: -1389.757216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1389.757216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1389.757216 (E_RNA)
where:
Base-Base interactions energy: -955.023
where: short stacking energy: -401.890
Base-Backbone interact. energy: -1.951
local terms energy: -432.783828
where:
bonds (distance) C4'-P energy: -80.911
bonds (distance) P-C4' energy: -76.499
flat angles C4'-P-C4' energy: -91.378
flat angles P-C4'-P energy: -65.695
tors. eta vs tors. theta energy: -118.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 255
Temperature: 0.950000
Total energy: -1331.062958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1331.062958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1331.062958 (E_RNA)
where:
Base-Base interactions energy: -920.074
where: short stacking energy: -410.803
Base-Backbone interact. energy: -1.987
local terms energy: -409.001484
where:
bonds (distance) C4'-P energy: -71.470
bonds (distance) P-C4' energy: -81.331
flat angles C4'-P-C4' energy: -76.985
flat angles P-C4'-P energy: -58.314
tors. eta vs tors. theta energy: -120.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 255
Temperature: 1.000000
Total energy: -1300.226081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1300.226081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1300.226081 (E_RNA)
where:
Base-Base interactions energy: -897.112
where: short stacking energy: -381.095
Base-Backbone interact. energy: -2.977
local terms energy: -400.137589
where:
bonds (distance) C4'-P energy: -77.317
bonds (distance) P-C4' energy: -68.898
flat angles C4'-P-C4' energy: -86.218
flat angles P-C4'-P energy: -49.968
tors. eta vs tors. theta energy: -117.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 255
Temperature: 1.050000
Total energy: -1193.221869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1193.221869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1193.221869 (E_RNA)
where:
Base-Base interactions energy: -808.749
where: short stacking energy: -330.169
Base-Backbone interact. energy: -0.957
local terms energy: -383.516036
where:
bonds (distance) C4'-P energy: -71.594
bonds (distance) P-C4' energy: -84.903
flat angles C4'-P-C4' energy: -84.075
flat angles P-C4'-P energy: -50.385
tors. eta vs tors. theta energy: -92.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 255
Temperature: 1.100000
Total energy: -1125.033146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1125.033146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1125.033146 (E_RNA)
where:
Base-Base interactions energy: -775.616
where: short stacking energy: -319.567
Base-Backbone interact. energy: -0.935
local terms energy: -348.481871
where:
bonds (distance) C4'-P energy: -71.546
bonds (distance) P-C4' energy: -71.204
flat angles C4'-P-C4' energy: -77.573
flat angles P-C4'-P energy: -51.421
tors. eta vs tors. theta energy: -76.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 255
Temperature: 1.150000
Total energy: -1069.914467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1069.914467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1069.914467 (E_RNA)
where:
Base-Base interactions energy: -733.206
where: short stacking energy: -295.387
Base-Backbone interact. energy: 4.071
local terms energy: -340.778905
where:
bonds (distance) C4'-P energy: -65.561
bonds (distance) P-C4' energy: -79.470
flat angles C4'-P-C4' energy: -72.273
flat angles P-C4'-P energy: -46.906
tors. eta vs tors. theta energy: -76.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 255
Temperature: 1.200000
Total energy: -847.412834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -847.412834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -847.412834 (E_RNA)
where:
Base-Base interactions energy: -554.110
where: short stacking energy: -264.672
Base-Backbone interact. energy: -2.296
local terms energy: -291.007095
where:
bonds (distance) C4'-P energy: -62.843
bonds (distance) P-C4' energy: -64.215
flat angles C4'-P-C4' energy: -65.651
flat angles P-C4'-P energy: -41.480
tors. eta vs tors. theta energy: -56.818
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: 8, replica: 6
=====================================
Write number: 255
Temperature: 1.250000
Total energy: -741.208625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -741.208625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -741.208625 (E_RNA)
where:
Base-Base interactions energy: -433.264
where: short stacking energy: -210.795
Base-Backbone interact. energy: 2.946
local terms energy: -310.890149
where:
bonds (distance) C4'-P energy: -63.679
bonds (distance) P-C4' energy: -73.235
flat angles C4'-P-C4' energy: -76.278
flat angles P-C4'-P energy: -41.046
tors. eta vs tors. theta energy: -56.652
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: 1
=====================================
Write number: 255
Temperature: 1.300000
Total energy: -517.562617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.562617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.562617 (E_RNA)
where:
Base-Base interactions energy: -262.921
where: short stacking energy: -159.224
Base-Backbone interact. energy: -0.817
local terms energy: -253.823965
where:
bonds (distance) C4'-P energy: -59.735
bonds (distance) P-C4' energy: -74.291
flat angles C4'-P-C4' energy: -58.122
flat angles P-C4'-P energy: -35.793
tors. eta vs tors. theta energy: -25.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 255
Temperature: 1.350000
Total energy: -415.236852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.236852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.236852 (E_RNA)
where:
Base-Base interactions energy: -198.862
where: short stacking energy: -113.227
Base-Backbone interact. energy: 3.324
local terms energy: -219.698987
where:
bonds (distance) C4'-P energy: -74.874
bonds (distance) P-C4' energy: -60.284
flat angles C4'-P-C4' energy: -57.288
flat angles P-C4'-P energy: -30.110
tors. eta vs tors. theta energy: 2.857
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: 1, replica: 5
=====================================
Write number: 256
Temperature: 0.900000
Total energy: -1363.045758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1363.045758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1363.045758 (E_RNA)
where:
Base-Base interactions energy: -920.719
where: short stacking energy: -418.721
Base-Backbone interact. energy: 1.721
local terms energy: -444.047868
where:
bonds (distance) C4'-P energy: -82.554
bonds (distance) P-C4' energy: -82.372
flat angles C4'-P-C4' energy: -86.844
flat angles P-C4'-P energy: -61.342
tors. eta vs tors. theta energy: -130.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 256
Temperature: 0.950000
Total energy: -1345.705757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1345.705757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1345.705757 (E_RNA)
where:
Base-Base interactions energy: -933.494
where: short stacking energy: -397.606
Base-Backbone interact. energy: -2.369
local terms energy: -409.843089
where:
bonds (distance) C4'-P energy: -79.961
bonds (distance) P-C4' energy: -74.184
flat angles C4'-P-C4' energy: -84.314
flat angles P-C4'-P energy: -57.609
tors. eta vs tors. theta energy: -113.775
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: 3
=====================================
Write number: 256
Temperature: 1.000000
Total energy: -1313.404711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1313.404711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1313.404711 (E_RNA)
where:
Base-Base interactions energy: -914.301
where: short stacking energy: -406.112
Base-Backbone interact. energy: -2.859
local terms energy: -396.245064
where:
bonds (distance) C4'-P energy: -59.501
bonds (distance) P-C4' energy: -74.230
flat angles C4'-P-C4' energy: -84.990
flat angles P-C4'-P energy: -62.214
tors. eta vs tors. theta energy: -115.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 256
Temperature: 1.050000
Total energy: -1188.470771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1188.470771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1188.470771 (E_RNA)
where:
Base-Base interactions energy: -802.951
where: short stacking energy: -352.767
Base-Backbone interact. energy: -3.522
local terms energy: -381.998280
where:
bonds (distance) C4'-P energy: -72.073
bonds (distance) P-C4' energy: -68.854
flat angles C4'-P-C4' energy: -84.865
flat angles P-C4'-P energy: -52.310
tors. eta vs tors. theta energy: -103.896
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: 5, replica: 4
=====================================
Write number: 256
Temperature: 1.100000
Total energy: -1096.306902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1096.306902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1096.306902 (E_RNA)
where:
Base-Base interactions energy: -737.217
where: short stacking energy: -293.269
Base-Backbone interact. energy: -1.502
local terms energy: -357.587971
where:
bonds (distance) C4'-P energy: -66.956
bonds (distance) P-C4' energy: -68.542
flat angles C4'-P-C4' energy: -81.879
flat angles P-C4'-P energy: -55.899
tors. eta vs tors. theta energy: -84.312
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: 6, replica: 9
=====================================
Write number: 256
Temperature: 1.150000
Total energy: -1115.279207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1115.279207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1115.279207 (E_RNA)
where:
Base-Base interactions energy: -762.816
where: short stacking energy: -312.542
Base-Backbone interact. energy: -0.765
local terms energy: -351.698452
where:
bonds (distance) C4'-P energy: -66.596
bonds (distance) P-C4' energy: -62.777
flat angles C4'-P-C4' energy: -80.777
flat angles P-C4'-P energy: -49.223
tors. eta vs tors. theta energy: -92.325
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: 7, replica: 10
=====================================
Write number: 256
Temperature: 1.200000
Total energy: -855.723341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -855.723341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -855.723341 (E_RNA)
where:
Base-Base interactions energy: -556.055
where: short stacking energy: -236.396
Base-Backbone interact. energy: -1.550
local terms energy: -298.117904
where:
bonds (distance) C4'-P energy: -57.755
bonds (distance) P-C4' energy: -82.347
flat angles C4'-P-C4' energy: -69.578
flat angles P-C4'-P energy: -40.194
tors. eta vs tors. theta energy: -48.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 256
Temperature: 1.250000
Total energy: -666.064352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -666.064352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -666.064352 (E_RNA)
where:
Base-Base interactions energy: -411.395
where: short stacking energy: -196.441
Base-Backbone interact. energy: 1.003
local terms energy: -255.672364
where:
bonds (distance) C4'-P energy: -61.523
bonds (distance) P-C4' energy: -67.890
flat angles C4'-P-C4' energy: -57.757
flat angles P-C4'-P energy: -46.691
tors. eta vs tors. theta energy: -21.811
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: 9, replica: 1
=====================================
Write number: 256
Temperature: 1.300000
Total energy: -514.716881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.716881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.716881 (E_RNA)
where:
Base-Base interactions energy: -279.931
where: short stacking energy: -151.097
Base-Backbone interact. energy: 1.012
local terms energy: -235.798144
where:
bonds (distance) C4'-P energy: -59.710
bonds (distance) P-C4' energy: -68.178
flat angles C4'-P-C4' energy: -58.116
flat angles P-C4'-P energy: -30.011
tors. eta vs tors. theta energy: -19.783
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: 10, replica: 2
=====================================
Write number: 256
Temperature: 1.350000
Total energy: -375.323384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.323384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.323384 (E_RNA)
where:
Base-Base interactions energy: -154.689
where: short stacking energy: -95.955
Base-Backbone interact. energy: -3.621
local terms energy: -217.013066
where:
bonds (distance) C4'-P energy: -78.029
bonds (distance) P-C4' energy: -62.027
flat angles C4'-P-C4' energy: -39.599
flat angles P-C4'-P energy: -45.835
tors. eta vs tors. theta energy: 8.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 257
Temperature: 0.900000
Total energy: -1362.978645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1362.978645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1362.978645 (E_RNA)
where:
Base-Base interactions energy: -922.944
where: short stacking energy: -399.746
Base-Backbone interact. energy: -1.558
local terms energy: -438.476507
where:
bonds (distance) C4'-P energy: -82.113
bonds (distance) P-C4' energy: -82.557
flat angles C4'-P-C4' energy: -88.217
flat angles P-C4'-P energy: -60.111
tors. eta vs tors. theta energy: -125.478
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: 7
=====================================
Write number: 257
Temperature: 0.950000
Total energy: -1355.859562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1355.859562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1355.859562 (E_RNA)
where:
Base-Base interactions energy: -927.199
where: short stacking energy: -409.193
Base-Backbone interact. energy: -2.434
local terms energy: -426.226281
where:
bonds (distance) C4'-P energy: -76.496
bonds (distance) P-C4' energy: -77.198
flat angles C4'-P-C4' energy: -89.747
flat angles P-C4'-P energy: -60.546
tors. eta vs tors. theta energy: -122.240
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: 3
=====================================
Write number: 257
Temperature: 1.000000
Total energy: -1282.436128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1282.436128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1282.436128 (E_RNA)
where:
Base-Base interactions energy: -877.094
where: short stacking energy: -380.318
Base-Backbone interact. energy: -2.417
local terms energy: -402.925329
where:
bonds (distance) C4'-P energy: -80.984
bonds (distance) P-C4' energy: -71.348
flat angles C4'-P-C4' energy: -80.502
flat angles P-C4'-P energy: -51.256
tors. eta vs tors. theta energy: -118.835
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: 8
=====================================
Write number: 257
Temperature: 1.050000
Total energy: -1156.791486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1156.791486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1156.791486 (E_RNA)
where:
Base-Base interactions energy: -787.910
where: short stacking energy: -354.846
Base-Backbone interact. energy: -0.111
local terms energy: -368.770904
where:
bonds (distance) C4'-P energy: -64.473
bonds (distance) P-C4' energy: -81.206
flat angles C4'-P-C4' energy: -76.200
flat angles P-C4'-P energy: -53.469
tors. eta vs tors. theta energy: -93.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 257
Temperature: 1.100000
Total energy: -1060.853919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1060.853919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1060.853919 (E_RNA)
where:
Base-Base interactions energy: -727.514
where: short stacking energy: -320.549
Base-Backbone interact. energy: 0.715
local terms energy: -334.055240
where:
bonds (distance) C4'-P energy: -60.533
bonds (distance) P-C4' energy: -74.964
flat angles C4'-P-C4' energy: -74.667
flat angles P-C4'-P energy: -47.382
tors. eta vs tors. theta energy: -76.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 257
Temperature: 1.150000
Total energy: -1120.660752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1120.660752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1120.660752 (E_RNA)
where:
Base-Base interactions energy: -760.060
where: short stacking energy: -321.386
Base-Backbone interact. energy: -0.772
local terms energy: -359.828649
where:
bonds (distance) C4'-P energy: -74.908
bonds (distance) P-C4' energy: -59.983
flat angles C4'-P-C4' energy: -81.427
flat angles P-C4'-P energy: -49.459
tors. eta vs tors. theta energy: -94.052
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: 10
=====================================
Write number: 257
Temperature: 1.200000
Total energy: -855.993467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -855.993467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -855.993467 (E_RNA)
where:
Base-Base interactions energy: -555.662
where: short stacking energy: -247.060
Base-Backbone interact. energy: 0.729
local terms energy: -301.060496
where:
bonds (distance) C4'-P energy: -65.746
bonds (distance) P-C4' energy: -71.417
flat angles C4'-P-C4' energy: -69.208
flat angles P-C4'-P energy: -45.676
tors. eta vs tors. theta energy: -49.014
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: 6
=====================================
Write number: 257
Temperature: 1.250000
Total energy: -709.005685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -709.005685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -709.005685 (E_RNA)
where:
Base-Base interactions energy: -436.182
where: short stacking energy: -198.281
Base-Backbone interact. energy: 0.120
local terms energy: -272.943975
where:
bonds (distance) C4'-P energy: -57.921
bonds (distance) P-C4' energy: -75.095
flat angles C4'-P-C4' energy: -64.463
flat angles P-C4'-P energy: -37.936
tors. eta vs tors. theta energy: -37.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 257
Temperature: 1.300000
Total energy: -517.569265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.569265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.569265 (E_RNA)
where:
Base-Base interactions energy: -267.754
where: short stacking energy: -144.807
Base-Backbone interact. energy: -2.348
local terms energy: -247.467431
where:
bonds (distance) C4'-P energy: -66.324
bonds (distance) P-C4' energy: -76.193
flat angles C4'-P-C4' energy: -56.827
flat angles P-C4'-P energy: -35.863
tors. eta vs tors. theta energy: -12.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 257
Temperature: 1.350000
Total energy: -397.257134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.257134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -397.257134 (E_RNA)
where:
Base-Base interactions energy: -203.241
where: short stacking energy: -128.054
Base-Backbone interact. energy: -1.394
local terms energy: -192.622488
where:
bonds (distance) C4'-P energy: -53.049
bonds (distance) P-C4' energy: -53.066
flat angles C4'-P-C4' energy: -48.366
flat angles P-C4'-P energy: -35.315
tors. eta vs tors. theta energy: -2.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 258
Temperature: 0.900000
Total energy: -1386.731680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1386.731680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1386.731680 (E_RNA)
where:
Base-Base interactions energy: -964.274
where: short stacking energy: -426.963
Base-Backbone interact. energy: -0.771
local terms energy: -421.686197
where:
bonds (distance) C4'-P energy: -62.152
bonds (distance) P-C4' energy: -84.659
flat angles C4'-P-C4' energy: -88.790
flat angles P-C4'-P energy: -64.971
tors. eta vs tors. theta energy: -121.114
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: 5
=====================================
Write number: 258
Temperature: 0.950000
Total energy: -1334.058686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1334.058686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1334.058686 (E_RNA)
where:
Base-Base interactions energy: -924.694
where: short stacking energy: -386.415
Base-Backbone interact. energy: -0.245
local terms energy: -409.119996
where:
bonds (distance) C4'-P energy: -76.107
bonds (distance) P-C4' energy: -70.893
flat angles C4'-P-C4' energy: -86.928
flat angles P-C4'-P energy: -57.290
tors. eta vs tors. theta energy: -117.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 258
Temperature: 1.000000
Total energy: -1294.816931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1294.816931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1294.816931 (E_RNA)
where:
Base-Base interactions energy: -885.452
where: short stacking energy: -399.791
Base-Backbone interact. energy: -3.292
local terms energy: -406.073388
where:
bonds (distance) C4'-P energy: -79.419
bonds (distance) P-C4' energy: -76.900
flat angles C4'-P-C4' energy: -81.444
flat angles P-C4'-P energy: -57.335
tors. eta vs tors. theta energy: -110.976
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: 8
=====================================
Write number: 258
Temperature: 1.050000
Total energy: -1146.271009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1146.271009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1146.271009 (E_RNA)
where:
Base-Base interactions energy: -790.077
where: short stacking energy: -359.702
Base-Backbone interact. energy: -0.640
local terms energy: -355.554048
where:
bonds (distance) C4'-P energy: -59.593
bonds (distance) P-C4' energy: -80.315
flat angles C4'-P-C4' energy: -83.553
flat angles P-C4'-P energy: -37.126
tors. eta vs tors. theta energy: -94.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 258
Temperature: 1.100000
Total energy: -1145.882868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1145.882868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1145.882868 (E_RNA)
where:
Base-Base interactions energy: -778.605
where: short stacking energy: -311.530
Base-Backbone interact. energy: 4.317
local terms energy: -371.594953
where:
bonds (distance) C4'-P energy: -73.021
bonds (distance) P-C4' energy: -72.904
flat angles C4'-P-C4' energy: -79.664
flat angles P-C4'-P energy: -57.524
tors. eta vs tors. theta energy: -88.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 258
Temperature: 1.150000
Total energy: -1014.051430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1014.051430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1014.051430 (E_RNA)
where:
Base-Base interactions energy: -702.456
where: short stacking energy: -296.924
Base-Backbone interact. energy: -0.852
local terms energy: -310.743682
where:
bonds (distance) C4'-P energy: -50.530
bonds (distance) P-C4' energy: -69.369
flat angles C4'-P-C4' energy: -79.765
flat angles P-C4'-P energy: -39.729
tors. eta vs tors. theta energy: -71.351
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: 258
Temperature: 1.200000
Total energy: -849.368816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -849.368816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -849.368816 (E_RNA)
where:
Base-Base interactions energy: -543.160
where: short stacking energy: -261.118
Base-Backbone interact. energy: -0.582
local terms energy: -305.626771
where:
bonds (distance) C4'-P energy: -69.007
bonds (distance) P-C4' energy: -59.550
flat angles C4'-P-C4' energy: -73.756
flat angles P-C4'-P energy: -49.209
tors. eta vs tors. theta energy: -54.105
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: 6
=====================================
Write number: 258
Temperature: 1.250000
Total energy: -718.373568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -718.373568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -718.373568 (E_RNA)
where:
Base-Base interactions energy: -463.435
where: short stacking energy: -237.272
Base-Backbone interact. energy: -0.121
local terms energy: -254.817512
where:
bonds (distance) C4'-P energy: -48.653
bonds (distance) P-C4' energy: -67.587
flat angles C4'-P-C4' energy: -72.698
flat angles P-C4'-P energy: -21.767
tors. eta vs tors. theta energy: -44.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 258
Temperature: 1.300000
Total energy: -561.969559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.969559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.969559 (E_RNA)
where:
Base-Base interactions energy: -314.111
where: short stacking energy: -179.466
Base-Backbone interact. energy: 0.641
local terms energy: -248.499785
where:
bonds (distance) C4'-P energy: -68.491
bonds (distance) P-C4' energy: -64.829
flat angles C4'-P-C4' energy: -59.255
flat angles P-C4'-P energy: -37.632
tors. eta vs tors. theta energy: -18.292
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: 2
=====================================
Write number: 258
Temperature: 1.350000
Total energy: -409.525481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.525481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.525481 (E_RNA)
where:
Base-Base interactions energy: -195.362
where: short stacking energy: -129.553
Base-Backbone interact. energy: -1.599
local terms energy: -212.564800
where:
bonds (distance) C4'-P energy: -62.486
bonds (distance) P-C4' energy: -74.116
flat angles C4'-P-C4' energy: -50.957
flat angles P-C4'-P energy: -16.179
tors. eta vs tors. theta energy: -8.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 259
Temperature: 0.900000
Total energy: -1382.522366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1382.522366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1382.522366 (E_RNA)
where:
Base-Base interactions energy: -953.660
where: short stacking energy: -435.250
Base-Backbone interact. energy: -1.835
local terms energy: -427.027381
where:
bonds (distance) C4'-P energy: -69.884
bonds (distance) P-C4' energy: -74.553
flat angles C4'-P-C4' energy: -92.834
flat angles P-C4'-P energy: -57.730
tors. eta vs tors. theta energy: -132.026
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: 5
=====================================
Write number: 259
Temperature: 0.950000
Total energy: -1347.477232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1347.477232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1347.477232 (E_RNA)
where:
Base-Base interactions energy: -924.106
where: short stacking energy: -405.589
Base-Backbone interact. energy: -3.300
local terms energy: -420.070827
where:
bonds (distance) C4'-P energy: -76.070
bonds (distance) P-C4' energy: -79.655
flat angles C4'-P-C4' energy: -86.334
flat angles P-C4'-P energy: -56.890
tors. eta vs tors. theta energy: -121.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 259
Temperature: 1.000000
Total energy: -1270.450614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1270.450614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1270.450614 (E_RNA)
where:
Base-Base interactions energy: -877.862
where: short stacking energy: -381.400
Base-Backbone interact. energy: -1.828
local terms energy: -390.760433
where:
bonds (distance) C4'-P energy: -84.818
bonds (distance) P-C4' energy: -67.765
flat angles C4'-P-C4' energy: -78.180
flat angles P-C4'-P energy: -53.790
tors. eta vs tors. theta energy: -106.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 259
Temperature: 1.050000
Total energy: -1191.644877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1191.644877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1191.644877 (E_RNA)
where:
Base-Base interactions energy: -809.998
where: short stacking energy: -339.196
Base-Backbone interact. energy: 1.839
local terms energy: -383.486003
where:
bonds (distance) C4'-P energy: -79.160
bonds (distance) P-C4' energy: -68.560
flat angles C4'-P-C4' energy: -89.659
flat angles P-C4'-P energy: -48.074
tors. eta vs tors. theta energy: -98.033
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: 259
Temperature: 1.100000
Total energy: -1132.439971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1132.439971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1132.439971 (E_RNA)
where:
Base-Base interactions energy: -758.457
where: short stacking energy: -344.749
Base-Backbone interact. energy: 1.377
local terms energy: -375.359908
where:
bonds (distance) C4'-P energy: -73.733
bonds (distance) P-C4' energy: -69.207
flat angles C4'-P-C4' energy: -81.288
flat angles P-C4'-P energy: -56.043
tors. eta vs tors. theta energy: -95.089
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: 6, replica: 4
=====================================
Write number: 259
Temperature: 1.150000
Total energy: -1013.087670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1013.087670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1013.087670 (E_RNA)
where:
Base-Base interactions energy: -674.967
where: short stacking energy: -276.769
Base-Backbone interact. energy: 0.703
local terms energy: -338.823388
where:
bonds (distance) C4'-P energy: -69.633
bonds (distance) P-C4' energy: -74.949
flat angles C4'-P-C4' energy: -76.139
flat angles P-C4'-P energy: -53.678
tors. eta vs tors. theta energy: -64.425
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: 10
=====================================
Write number: 259
Temperature: 1.200000
Total energy: -861.124396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -861.124396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -861.124396 (E_RNA)
where:
Base-Base interactions energy: -554.960
where: short stacking energy: -247.503
Base-Backbone interact. energy: -1.586
local terms energy: -304.578361
where:
bonds (distance) C4'-P energy: -55.146
bonds (distance) P-C4' energy: -71.110
flat angles C4'-P-C4' energy: -70.835
flat angles P-C4'-P energy: -53.327
tors. eta vs tors. theta energy: -54.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 259
Temperature: 1.250000
Total energy: -559.395498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.395498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.395498 (E_RNA)
where:
Base-Base interactions energy: -320.242
where: short stacking energy: -167.348
Base-Backbone interact. energy: -1.544
local terms energy: -237.610261
where:
bonds (distance) C4'-P energy: -63.435
bonds (distance) P-C4' energy: -74.781
flat angles C4'-P-C4' energy: -58.994
flat angles P-C4'-P energy: -21.091
tors. eta vs tors. theta energy: -19.309
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: 9, replica: 6
=====================================
Write number: 259
Temperature: 1.300000
Total energy: -620.766851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -620.766851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -620.766851 (E_RNA)
where:
Base-Base interactions energy: -382.123
where: short stacking energy: -204.627
Base-Backbone interact. energy: -1.048
local terms energy: -237.595338
where:
bonds (distance) C4'-P energy: -62.950
bonds (distance) P-C4' energy: -55.201
flat angles C4'-P-C4' energy: -64.585
flat angles P-C4'-P energy: -29.088
tors. eta vs tors. theta energy: -25.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 259
Temperature: 1.350000
Total energy: -390.773227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.773227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.773227 (E_RNA)
where:
Base-Base interactions energy: -159.241
where: short stacking energy: -95.972
Base-Backbone interact. energy: -2.096
local terms energy: -229.435771
where:
bonds (distance) C4'-P energy: -53.841
bonds (distance) P-C4' energy: -76.294
flat angles C4'-P-C4' energy: -66.489
flat angles P-C4'-P energy: -40.954
tors. eta vs tors. theta energy: 8.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 260
Temperature: 0.900000
Total energy: -1394.723369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1394.723369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1394.723369 (E_RNA)
where:
Base-Base interactions energy: -969.917
where: short stacking energy: -434.908
Base-Backbone interact. energy: -1.083
local terms energy: -423.722770
where:
bonds (distance) C4'-P energy: -70.856
bonds (distance) P-C4' energy: -69.359
flat angles C4'-P-C4' energy: -90.336
flat angles P-C4'-P energy: -65.389
tors. eta vs tors. theta energy: -127.784
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: 2, replica: 5
=====================================
Write number: 260
Temperature: 0.950000
Total energy: -1325.354776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1325.354776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1325.354776 (E_RNA)
where:
Base-Base interactions energy: -911.120
where: short stacking energy: -378.460
Base-Backbone interact. energy: -0.189
local terms energy: -414.046047
where:
bonds (distance) C4'-P energy: -68.306
bonds (distance) P-C4' energy: -71.819
flat angles C4'-P-C4' energy: -90.500
flat angles P-C4'-P energy: -70.655
tors. eta vs tors. theta energy: -112.766
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: 260
Temperature: 1.000000
Total energy: -1293.499828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1293.499828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1293.499828 (E_RNA)
where:
Base-Base interactions energy: -893.516
where: short stacking energy: -372.484
Base-Backbone interact. energy: -2.985
local terms energy: -396.998813
where:
bonds (distance) C4'-P energy: -77.983
bonds (distance) P-C4' energy: -75.925
flat angles C4'-P-C4' energy: -81.704
flat angles P-C4'-P energy: -55.779
tors. eta vs tors. theta energy: -105.608
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: 9
=====================================
Write number: 260
Temperature: 1.050000
Total energy: -1190.497931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1190.497931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1190.497931 (E_RNA)
where:
Base-Base interactions energy: -808.438
where: short stacking energy: -374.138
Base-Backbone interact. energy: -1.270
local terms energy: -380.790406
where:
bonds (distance) C4'-P energy: -71.113
bonds (distance) P-C4' energy: -73.345
flat angles C4'-P-C4' energy: -77.414
flat angles P-C4'-P energy: -58.747
tors. eta vs tors. theta energy: -100.171
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: 8
=====================================
Write number: 260
Temperature: 1.100000
Total energy: -1134.509517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1134.509517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1134.509517 (E_RNA)
where:
Base-Base interactions energy: -770.577
where: short stacking energy: -348.067
Base-Backbone interact. energy: -1.011
local terms energy: -362.921779
where:
bonds (distance) C4'-P energy: -57.396
bonds (distance) P-C4' energy: -75.751
flat angles C4'-P-C4' energy: -83.247
flat angles P-C4'-P energy: -46.412
tors. eta vs tors. theta energy: -100.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 260
Temperature: 1.150000
Total energy: -1000.448087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1000.448087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1000.448087 (E_RNA)
where:
Base-Base interactions energy: -682.380
where: short stacking energy: -289.144
Base-Backbone interact. energy: -1.362
local terms energy: -316.706100
where:
bonds (distance) C4'-P energy: -67.476
bonds (distance) P-C4' energy: -64.186
flat angles C4'-P-C4' energy: -72.677
flat angles P-C4'-P energy: -38.912
tors. eta vs tors. theta energy: -73.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 260
Temperature: 1.200000
Total energy: -781.513049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -781.513049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -781.513049 (E_RNA)
where:
Base-Base interactions energy: -531.275
where: short stacking energy: -218.952
Base-Backbone interact. energy: -1.199
local terms energy: -249.039108
where:
bonds (distance) C4'-P energy: -57.923
bonds (distance) P-C4' energy: -68.001
flat angles C4'-P-C4' energy: -47.748
flat angles P-C4'-P energy: -34.315
tors. eta vs tors. theta energy: -41.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 260
Temperature: 1.250000
Total energy: -612.892650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -612.892650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -612.892650 (E_RNA)
where:
Base-Base interactions energy: -346.525
where: short stacking energy: -191.293
Base-Backbone interact. energy: -2.116
local terms energy: -264.251427
where:
bonds (distance) C4'-P energy: -51.782
bonds (distance) P-C4' energy: -72.337
flat angles C4'-P-C4' energy: -66.155
flat angles P-C4'-P energy: -38.289
tors. eta vs tors. theta energy: -35.688
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: 6
=====================================
Write number: 260
Temperature: 1.300000
Total energy: -584.297603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -584.297603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -584.297603 (E_RNA)
where:
Base-Base interactions energy: -322.824
where: short stacking energy: -146.840
Base-Backbone interact. energy: 1.436
local terms energy: -262.909259
where:
bonds (distance) C4'-P energy: -71.081
bonds (distance) P-C4' energy: -69.150
flat angles C4'-P-C4' energy: -59.069
flat angles P-C4'-P energy: -44.125
tors. eta vs tors. theta energy: -19.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 260
Temperature: 1.350000
Total energy: -439.686562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.686562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.686562 (E_RNA)
where:
Base-Base interactions energy: -228.314
where: short stacking energy: -127.002
Base-Backbone interact. energy: -1.147
local terms energy: -210.226429
where:
bonds (distance) C4'-P energy: -65.536
bonds (distance) P-C4' energy: -54.150
flat angles C4'-P-C4' energy: -47.993
flat angles P-C4'-P energy: -39.893
tors. eta vs tors. theta energy: -2.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 261
Temperature: 0.900000
Total energy: -1399.272980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1399.272980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1399.272980 (E_RNA)
where:
Base-Base interactions energy: -983.447
where: short stacking energy: -434.154
Base-Backbone interact. energy: -4.361
local terms energy: -411.465054
where:
bonds (distance) C4'-P energy: -73.373
bonds (distance) P-C4' energy: -76.415
flat angles C4'-P-C4' energy: -87.239
flat angles P-C4'-P energy: -48.923
tors. eta vs tors. theta energy: -125.516
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: 2, replica: 3
=====================================
Write number: 261
Temperature: 0.950000
Total energy: -1336.330482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1336.330482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1336.330482 (E_RNA)
where:
Base-Base interactions energy: -903.707
where: short stacking energy: -382.976
Base-Backbone interact. energy: -3.779
local terms energy: -428.845013
where:
bonds (distance) C4'-P energy: -83.058
bonds (distance) P-C4' energy: -70.021
flat angles C4'-P-C4' energy: -88.284
flat angles P-C4'-P energy: -66.289
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: 3, replica: 5
=====================================
Write number: 261
Temperature: 1.000000
Total energy: -1308.870226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1308.870226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1308.870226 (E_RNA)
where:
Base-Base interactions energy: -927.541
where: short stacking energy: -392.524
Base-Backbone interact. energy: -0.886
local terms energy: -380.443074
where:
bonds (distance) C4'-P energy: -58.396
bonds (distance) P-C4' energy: -75.311
flat angles C4'-P-C4' energy: -82.903
flat angles P-C4'-P energy: -48.818
tors. eta vs tors. theta energy: -115.015
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: 8
=====================================
Write number: 261
Temperature: 1.050000
Total energy: -1157.450538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1157.450538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1157.450538 (E_RNA)
where:
Base-Base interactions energy: -798.503
where: short stacking energy: -361.062
Base-Backbone interact. energy: 0.015
local terms energy: -358.963002
where:
bonds (distance) C4'-P energy: -68.742
bonds (distance) P-C4' energy: -65.540
flat angles C4'-P-C4' energy: -80.102
flat angles P-C4'-P energy: -48.931
tors. eta vs tors. theta energy: -95.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 261
Temperature: 1.100000
Total energy: -1159.715804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1159.715804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1159.715804 (E_RNA)
where:
Base-Base interactions energy: -777.627
where: short stacking energy: -315.520
Base-Backbone interact. energy: -1.495
local terms energy: -380.594467
where:
bonds (distance) C4'-P energy: -73.908
bonds (distance) P-C4' energy: -71.118
flat angles C4'-P-C4' energy: -83.234
flat angles P-C4'-P energy: -61.499
tors. eta vs tors. theta energy: -90.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 261
Temperature: 1.150000
Total energy: -970.610361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -970.610361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -970.610361 (E_RNA)
where:
Base-Base interactions energy: -646.712
where: short stacking energy: -280.763
Base-Backbone interact. energy: 2.274
local terms energy: -326.171834
where:
bonds (distance) C4'-P energy: -73.545
bonds (distance) P-C4' energy: -71.409
flat angles C4'-P-C4' energy: -68.387
flat angles P-C4'-P energy: -49.994
tors. eta vs tors. theta energy: -62.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 261
Temperature: 1.200000
Total energy: -857.082037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -857.082037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -857.082037 (E_RNA)
where:
Base-Base interactions energy: -570.458
where: short stacking energy: -257.877
Base-Backbone interact. energy: 1.522
local terms energy: -288.145881
where:
bonds (distance) C4'-P energy: -67.208
bonds (distance) P-C4' energy: -66.577
flat angles C4'-P-C4' energy: -68.624
flat angles P-C4'-P energy: -40.448
tors. eta vs tors. theta energy: -45.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 261
Temperature: 1.250000
Total energy: -606.502892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -606.502892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -606.502892 (E_RNA)
where:
Base-Base interactions energy: -349.387
where: short stacking energy: -170.779
Base-Backbone interact. energy: -1.132
local terms energy: -255.983444
where:
bonds (distance) C4'-P energy: -74.909
bonds (distance) P-C4' energy: -64.067
flat angles C4'-P-C4' energy: -61.532
flat angles P-C4'-P energy: -33.056
tors. eta vs tors. theta energy: -22.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 261
Temperature: 1.300000
Total energy: -554.170232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.170232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.170232 (E_RNA)
where:
Base-Base interactions energy: -328.806
where: short stacking energy: -172.859
Base-Backbone interact. energy: 1.900
local terms energy: -227.264799
where:
bonds (distance) C4'-P energy: -68.289
bonds (distance) P-C4' energy: -53.405
flat angles C4'-P-C4' energy: -58.103
flat angles P-C4'-P energy: -37.427
tors. eta vs tors. theta energy: -10.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 261
Temperature: 1.350000
Total energy: -513.905786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.905786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.905786 (E_RNA)
where:
Base-Base interactions energy: -286.194
where: short stacking energy: -125.032
Base-Backbone interact. energy: 3.302
local terms energy: -231.013739
where:
bonds (distance) C4'-P energy: -59.715
bonds (distance) P-C4' energy: -61.084
flat angles C4'-P-C4' energy: -55.252
flat angles P-C4'-P energy: -47.741
tors. eta vs tors. theta energy: -7.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 262
Temperature: 0.900000
Total energy: -1373.350770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1373.350770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1373.350770 (E_RNA)
where:
Base-Base interactions energy: -948.438
where: short stacking energy: -421.043
Base-Backbone interact. energy: -2.034
local terms energy: -422.878763
where:
bonds (distance) C4'-P energy: -76.352
bonds (distance) P-C4' energy: -84.230
flat angles C4'-P-C4' energy: -85.479
flat angles P-C4'-P energy: -52.522
tors. eta vs tors. theta energy: -124.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 262
Temperature: 0.950000
Total energy: -1340.600864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1340.600864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1340.600864 (E_RNA)
where:
Base-Base interactions energy: -921.081
where: short stacking energy: -402.071
Base-Backbone interact. energy: -2.315
local terms energy: -417.204916
where:
bonds (distance) C4'-P energy: -77.843
bonds (distance) P-C4' energy: -70.175
flat angles C4'-P-C4' energy: -85.787
flat angles P-C4'-P energy: -63.627
tors. eta vs tors. theta energy: -119.773
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: 3, replica: 5
=====================================
Write number: 262
Temperature: 1.000000
Total energy: -1296.067897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1296.067897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1296.067897 (E_RNA)
where:
Base-Base interactions energy: -886.284
where: short stacking energy: -384.048
Base-Backbone interact. energy: -1.266
local terms energy: -408.518087
where:
bonds (distance) C4'-P energy: -75.837
bonds (distance) P-C4' energy: -79.341
flat angles C4'-P-C4' energy: -80.998
flat angles P-C4'-P energy: -54.246
tors. eta vs tors. theta energy: -118.096
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: 8
=====================================
Write number: 262
Temperature: 1.050000
Total energy: -1159.162601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1159.162601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1159.162601 (E_RNA)
where:
Base-Base interactions energy: -767.859
where: short stacking energy: -335.922
Base-Backbone interact. energy: -3.152
local terms energy: -388.151560
where:
bonds (distance) C4'-P energy: -80.031
bonds (distance) P-C4' energy: -72.547
flat angles C4'-P-C4' energy: -85.035
flat angles P-C4'-P energy: -58.766
tors. eta vs tors. theta energy: -91.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 262
Temperature: 1.100000
Total energy: -1158.943379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1158.943379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1158.943379 (E_RNA)
where:
Base-Base interactions energy: -786.834
where: short stacking energy: -322.624
Base-Backbone interact. energy: -1.673
local terms energy: -370.436373
where:
bonds (distance) C4'-P energy: -66.085
bonds (distance) P-C4' energy: -78.771
flat angles C4'-P-C4' energy: -78.892
flat angles P-C4'-P energy: -57.701
tors. eta vs tors. theta energy: -88.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 262
Temperature: 1.150000
Total energy: -1040.982209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1040.982209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1040.982209 (E_RNA)
where:
Base-Base interactions energy: -711.424
where: short stacking energy: -301.689
Base-Backbone interact. energy: -1.860
local terms energy: -327.698233
where:
bonds (distance) C4'-P energy: -59.050
bonds (distance) P-C4' energy: -71.779
flat angles C4'-P-C4' energy: -69.740
flat angles P-C4'-P energy: -53.311
tors. eta vs tors. theta energy: -73.818
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: 7, replica: 10
=====================================
Write number: 262
Temperature: 1.200000
Total energy: -884.932762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -884.932762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -884.932762 (E_RNA)
where:
Base-Base interactions energy: -585.820
where: short stacking energy: -259.778
Base-Backbone interact. energy: -2.461
local terms energy: -296.652144
where:
bonds (distance) C4'-P energy: -60.052
bonds (distance) P-C4' energy: -67.469
flat angles C4'-P-C4' energy: -72.485
flat angles P-C4'-P energy: -42.207
tors. eta vs tors. theta energy: -54.439
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: 6
=====================================
Write number: 262
Temperature: 1.250000
Total energy: -623.239779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -623.239779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -623.239779 (E_RNA)
where:
Base-Base interactions energy: -384.414
where: short stacking energy: -191.997
Base-Backbone interact. energy: -3.777
local terms energy: -235.048531
where:
bonds (distance) C4'-P energy: -59.958
bonds (distance) P-C4' energy: -70.219
flat angles C4'-P-C4' energy: -41.875
flat angles P-C4'-P energy: -41.539
tors. eta vs tors. theta energy: -21.458
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: 9, replica: 1
=====================================
Write number: 262
Temperature: 1.300000
Total energy: -559.595325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.595325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.595325 (E_RNA)
where:
Base-Base interactions energy: -309.488
where: short stacking energy: -178.203
Base-Backbone interact. energy: -1.662
local terms energy: -248.445196
where:
bonds (distance) C4'-P energy: -65.345
bonds (distance) P-C4' energy: -54.817
flat angles C4'-P-C4' energy: -56.448
flat angles P-C4'-P energy: -47.848
tors. eta vs tors. theta energy: -23.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 262
Temperature: 1.350000
Total energy: -526.629948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.629948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.629948 (E_RNA)
where:
Base-Base interactions energy: -291.551
where: short stacking energy: -141.994
Base-Backbone interact. energy: -0.284
local terms energy: -234.794660
where:
bonds (distance) C4'-P energy: -65.542
bonds (distance) P-C4' energy: -68.588
flat angles C4'-P-C4' energy: -58.742
flat angles P-C4'-P energy: -36.991
tors. eta vs tors. theta energy: -4.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 263
Temperature: 0.900000
Total energy: -1373.375690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1373.375690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1373.375690 (E_RNA)
where:
Base-Base interactions energy: -944.200
where: short stacking energy: -404.506
Base-Backbone interact. energy: -3.153
local terms energy: -426.022420
where:
bonds (distance) C4'-P energy: -66.591
bonds (distance) P-C4' energy: -81.105
flat angles C4'-P-C4' energy: -86.734
flat angles P-C4'-P energy: -68.315
tors. eta vs tors. theta energy: -123.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 263
Temperature: 0.950000
Total energy: -1335.495053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1335.495053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1335.495053 (E_RNA)
where:
Base-Base interactions energy: -935.458
where: short stacking energy: -397.631
Base-Backbone interact. energy: -1.350
local terms energy: -398.686603
where:
bonds (distance) C4'-P energy: -75.074
bonds (distance) P-C4' energy: -74.887
flat angles C4'-P-C4' energy: -82.206
flat angles P-C4'-P energy: -48.366
tors. eta vs tors. theta energy: -118.153
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: 5
=====================================
Write number: 263
Temperature: 1.000000
Total energy: -1311.623222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1311.623222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1311.623222 (E_RNA)
where:
Base-Base interactions energy: -909.531
where: short stacking energy: -385.458
Base-Backbone interact. energy: -2.717
local terms energy: -399.375167
where:
bonds (distance) C4'-P energy: -71.049
bonds (distance) P-C4' energy: -78.277
flat angles C4'-P-C4' energy: -82.455
flat angles P-C4'-P energy: -55.729
tors. eta vs tors. theta energy: -111.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 263
Temperature: 1.050000
Total energy: -1152.995109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1152.995109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1152.995109 (E_RNA)
where:
Base-Base interactions energy: -780.499
where: short stacking energy: -345.833
Base-Backbone interact. energy: -2.330
local terms energy: -370.166097
where:
bonds (distance) C4'-P energy: -73.566
bonds (distance) P-C4' energy: -63.748
flat angles C4'-P-C4' energy: -76.889
flat angles P-C4'-P energy: -58.872
tors. eta vs tors. theta energy: -97.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 263
Temperature: 1.100000
Total energy: -1148.252112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1148.252112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1148.252112 (E_RNA)
where:
Base-Base interactions energy: -793.262
where: short stacking energy: -316.208
Base-Backbone interact. energy: 1.232
local terms energy: -356.221521
where:
bonds (distance) C4'-P energy: -62.402
bonds (distance) P-C4' energy: -73.173
flat angles C4'-P-C4' energy: -77.997
flat angles P-C4'-P energy: -47.581
tors. eta vs tors. theta energy: -95.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 263
Temperature: 1.150000
Total energy: -1029.833790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1029.833790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1029.833790 (E_RNA)
where:
Base-Base interactions energy: -695.262
where: short stacking energy: -287.228
Base-Backbone interact. energy: -1.995
local terms energy: -332.577366
where:
bonds (distance) C4'-P energy: -70.396
bonds (distance) P-C4' energy: -81.572
flat angles C4'-P-C4' energy: -73.915
flat angles P-C4'-P energy: -38.747
tors. eta vs tors. theta energy: -67.947
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: 10
=====================================
Write number: 263
Temperature: 1.200000
Total energy: -865.765042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -865.765042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -865.765042 (E_RNA)
where:
Base-Base interactions energy: -574.399
where: short stacking energy: -233.588
Base-Backbone interact. energy: 1.000
local terms energy: -292.365508
where:
bonds (distance) C4'-P energy: -59.813
bonds (distance) P-C4' energy: -78.015
flat angles C4'-P-C4' energy: -62.209
flat angles P-C4'-P energy: -48.700
tors. eta vs tors. theta energy: -43.629
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: 8, replica: 6
=====================================
Write number: 263
Temperature: 1.250000
Total energy: -585.396624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -585.396624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -585.396624 (E_RNA)
where:
Base-Base interactions energy: -337.569
where: short stacking energy: -183.750
Base-Backbone interact. energy: 1.413
local terms energy: -249.240821
where:
bonds (distance) C4'-P energy: -57.499
bonds (distance) P-C4' energy: -72.755
flat angles C4'-P-C4' energy: -56.813
flat angles P-C4'-P energy: -34.367
tors. eta vs tors. theta energy: -27.807
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: 1
=====================================
Write number: 263
Temperature: 1.300000
Total energy: -565.213567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -565.213567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -565.213567 (E_RNA)
where:
Base-Base interactions energy: -307.100
where: short stacking energy: -168.967
Base-Backbone interact. energy: 1.257
local terms energy: -259.370677
where:
bonds (distance) C4'-P energy: -68.115
bonds (distance) P-C4' energy: -68.886
flat angles C4'-P-C4' energy: -62.053
flat angles P-C4'-P energy: -36.749
tors. eta vs tors. theta energy: -23.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 263
Temperature: 1.350000
Total energy: -538.572129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.572129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.572129 (E_RNA)
where:
Base-Base interactions energy: -307.706
where: short stacking energy: -144.686
Base-Backbone interact. energy: -1.781
local terms energy: -229.085216
where:
bonds (distance) C4'-P energy: -70.140
bonds (distance) P-C4' energy: -63.967
flat angles C4'-P-C4' energy: -60.856
flat angles P-C4'-P energy: -30.956
tors. eta vs tors. theta energy: -3.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 264
Temperature: 0.900000
Total energy: -1351.967388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1351.967388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1351.967388 (E_RNA)
where:
Base-Base interactions energy: -932.999
where: short stacking energy: -401.868
Base-Backbone interact. energy: -1.612
local terms energy: -417.355583
where:
bonds (distance) C4'-P energy: -83.928
bonds (distance) P-C4' energy: -74.422
flat angles C4'-P-C4' energy: -87.692
flat angles P-C4'-P energy: -58.563
tors. eta vs tors. theta energy: -112.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 264
Temperature: 0.950000
Total energy: -1346.955870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1346.955870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1346.955870 (E_RNA)
where:
Base-Base interactions energy: -936.026
where: short stacking energy: -400.777
Base-Backbone interact. energy: -1.873
local terms energy: -409.057228
where:
bonds (distance) C4'-P energy: -75.804
bonds (distance) P-C4' energy: -73.993
flat angles C4'-P-C4' energy: -86.494
flat angles P-C4'-P energy: -56.042
tors. eta vs tors. theta energy: -116.725
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: 3, replica: 5
=====================================
Write number: 264
Temperature: 1.000000
Total energy: -1275.098817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1275.098817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1275.098817 (E_RNA)
where:
Base-Base interactions energy: -885.346
where: short stacking energy: -390.245
Base-Backbone interact. energy: -2.290
local terms energy: -387.463250
where:
bonds (distance) C4'-P energy: -64.532
bonds (distance) P-C4' energy: -67.317
flat angles C4'-P-C4' energy: -77.123
flat angles P-C4'-P energy: -58.075
tors. eta vs tors. theta energy: -120.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 264
Temperature: 1.050000
Total energy: -1144.585582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1144.585582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1144.585582 (E_RNA)
where:
Base-Base interactions energy: -783.376
where: short stacking energy: -351.618
Base-Backbone interact. energy: 1.825
local terms energy: -363.034475
where:
bonds (distance) C4'-P energy: -79.176
bonds (distance) P-C4' energy: -71.424
flat angles C4'-P-C4' energy: -79.492
flat angles P-C4'-P energy: -33.633
tors. eta vs tors. theta energy: -99.309
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: 5, replica: 9
=====================================
Write number: 264
Temperature: 1.100000
Total energy: -1149.601078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1149.601078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1149.601078 (E_RNA)
where:
Base-Base interactions energy: -788.228
where: short stacking energy: -329.225
Base-Backbone interact. energy: -1.506
local terms energy: -359.867157
where:
bonds (distance) C4'-P energy: -76.190
bonds (distance) P-C4' energy: -72.821
flat angles C4'-P-C4' energy: -80.507
flat angles P-C4'-P energy: -37.986
tors. eta vs tors. theta energy: -92.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 264
Temperature: 1.150000
Total energy: -1079.325942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1079.325942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1079.325942 (E_RNA)
where:
Base-Base interactions energy: -741.610
where: short stacking energy: -291.275
Base-Backbone interact. energy: -2.767
local terms energy: -334.948847
where:
bonds (distance) C4'-P energy: -76.061
bonds (distance) P-C4' energy: -63.514
flat angles C4'-P-C4' energy: -76.939
flat angles P-C4'-P energy: -51.014
tors. eta vs tors. theta energy: -67.420
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: 10
=====================================
Write number: 264
Temperature: 1.200000
Total energy: -829.232007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -829.232007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -829.232007 (E_RNA)
where:
Base-Base interactions energy: -529.194
where: short stacking energy: -216.544
Base-Backbone interact. energy: -1.019
local terms energy: -299.019770
where:
bonds (distance) C4'-P energy: -69.728
bonds (distance) P-C4' energy: -81.106
flat angles C4'-P-C4' energy: -68.877
flat angles P-C4'-P energy: -42.064
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: 6
=====================================
Write number: 264
Temperature: 1.250000
Total energy: -607.603794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -607.603794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -607.603794 (E_RNA)
where:
Base-Base interactions energy: -336.996
where: short stacking energy: -173.450
Base-Backbone interact. energy: -1.913
local terms energy: -268.695080
where:
bonds (distance) C4'-P energy: -52.634
bonds (distance) P-C4' energy: -73.026
flat angles C4'-P-C4' energy: -72.048
flat angles P-C4'-P energy: -50.415
tors. eta vs tors. theta energy: -20.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 264
Temperature: 1.300000
Total energy: -546.926138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.926138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.926138 (E_RNA)
where:
Base-Base interactions energy: -318.798
where: short stacking energy: -147.804
Base-Backbone interact. energy: -0.212
local terms energy: -227.915625
where:
bonds (distance) C4'-P energy: -65.558
bonds (distance) P-C4' energy: -60.804
flat angles C4'-P-C4' energy: -64.249
flat angles P-C4'-P energy: -18.955
tors. eta vs tors. theta energy: -18.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 264
Temperature: 1.350000
Total energy: -543.865412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.865412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.865412 (E_RNA)
where:
Base-Base interactions energy: -309.402
where: short stacking energy: -145.743
Base-Backbone interact. energy: 0.192
local terms energy: -234.655475
where:
bonds (distance) C4'-P energy: -54.319
bonds (distance) P-C4' energy: -69.686
flat angles C4'-P-C4' energy: -59.815
flat angles P-C4'-P energy: -34.838
tors. eta vs tors. theta energy: -15.998
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: 7
=====================================
Write number: 265
Temperature: 0.900000
Total energy: -1372.509052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1372.509052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1372.509052 (E_RNA)
where:
Base-Base interactions energy: -960.255
where: short stacking energy: -404.591
Base-Backbone interact. energy: -2.415
local terms energy: -409.838172
where:
bonds (distance) C4'-P energy: -67.487
bonds (distance) P-C4' energy: -77.268
flat angles C4'-P-C4' energy: -84.497
flat angles P-C4'-P energy: -60.820
tors. eta vs tors. theta energy: -119.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 265
Temperature: 0.950000
Total energy: -1348.713506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1348.713506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1348.713506 (E_RNA)
where:
Base-Base interactions energy: -914.402
where: short stacking energy: -384.454
Base-Backbone interact. energy: -2.091
local terms energy: -432.221001
where:
bonds (distance) C4'-P energy: -76.774
bonds (distance) P-C4' energy: -83.402
flat angles C4'-P-C4' energy: -89.117
flat angles P-C4'-P energy: -65.590
tors. eta vs tors. theta energy: -117.338
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: 5
=====================================
Write number: 265
Temperature: 1.000000
Total energy: -1287.957308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1287.957308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1287.957308 (E_RNA)
where:
Base-Base interactions energy: -864.629
where: short stacking energy: -384.813
Base-Backbone interact. energy: -3.096
local terms energy: -420.232402
where:
bonds (distance) C4'-P energy: -86.983
bonds (distance) P-C4' energy: -77.120
flat angles C4'-P-C4' energy: -80.755
flat angles P-C4'-P energy: -62.478
tors. eta vs tors. theta energy: -112.896
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: 9
=====================================
Write number: 265
Temperature: 1.050000
Total energy: -1187.805344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1187.805344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1187.805344 (E_RNA)
where:
Base-Base interactions energy: -811.594
where: short stacking energy: -360.238
Base-Backbone interact. energy: -1.107
local terms energy: -375.104572
where:
bonds (distance) C4'-P energy: -66.435
bonds (distance) P-C4' energy: -79.198
flat angles C4'-P-C4' energy: -82.074
flat angles P-C4'-P energy: -44.494
tors. eta vs tors. theta energy: -102.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 265
Temperature: 1.100000
Total energy: -1117.542580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1117.542580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1117.542580 (E_RNA)
where:
Base-Base interactions energy: -773.321
where: short stacking energy: -322.612
Base-Backbone interact. energy: -1.442
local terms energy: -342.780261
where:
bonds (distance) C4'-P energy: -73.438
bonds (distance) P-C4' energy: -78.163
flat angles C4'-P-C4' energy: -73.348
flat angles P-C4'-P energy: -38.546
tors. eta vs tors. theta energy: -79.285
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: 6, replica: 4
=====================================
Write number: 265
Temperature: 1.150000
Total energy: -1089.856649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1089.856649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1089.856649 (E_RNA)
where:
Base-Base interactions energy: -741.871
where: short stacking energy: -301.245
Base-Backbone interact. energy: -2.256
local terms energy: -345.729411
where:
bonds (distance) C4'-P energy: -71.910
bonds (distance) P-C4' energy: -70.905
flat angles C4'-P-C4' energy: -81.969
flat angles P-C4'-P energy: -51.312
tors. eta vs tors. theta energy: -69.633
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: 10
=====================================
Write number: 265
Temperature: 1.200000
Total energy: -842.704222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -842.704222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -842.704222 (E_RNA)
where:
Base-Base interactions energy: -546.781
where: short stacking energy: -262.793
Base-Backbone interact. energy: -0.214
local terms energy: -295.709227
where:
bonds (distance) C4'-P energy: -67.584
bonds (distance) P-C4' energy: -65.371
flat angles C4'-P-C4' energy: -62.682
flat angles P-C4'-P energy: -40.059
tors. eta vs tors. theta energy: -60.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 265
Temperature: 1.250000
Total energy: -629.335388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -629.335388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -629.335388 (E_RNA)
where:
Base-Base interactions energy: -357.571
where: short stacking energy: -177.683
Base-Backbone interact. energy: -2.521
local terms energy: -269.243308
where:
bonds (distance) C4'-P energy: -64.097
bonds (distance) P-C4' energy: -75.044
flat angles C4'-P-C4' energy: -61.209
flat angles P-C4'-P energy: -39.810
tors. eta vs tors. theta energy: -29.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 265
Temperature: 1.300000
Total energy: -512.070033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.070033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.070033 (E_RNA)
where:
Base-Base interactions energy: -282.618
where: short stacking energy: -142.544
Base-Backbone interact. energy: 5.211
local terms energy: -234.663730
where:
bonds (distance) C4'-P energy: -67.535
bonds (distance) P-C4' energy: -72.059
flat angles C4'-P-C4' energy: -40.875
flat angles P-C4'-P energy: -40.436
tors. eta vs tors. theta energy: -13.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 265
Temperature: 1.350000
Total energy: -523.024783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.024783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.024783 (E_RNA)
where:
Base-Base interactions energy: -298.557
where: short stacking energy: -155.832
Base-Backbone interact. energy: -1.430
local terms energy: -223.639980
where:
bonds (distance) C4'-P energy: -53.618
bonds (distance) P-C4' energy: -55.515
flat angles C4'-P-C4' energy: -47.681
flat angles P-C4'-P energy: -49.549
tors. eta vs tors. theta energy: -17.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.603 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 266
Temperature: 0.900000
Total energy: -1372.669354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1372.669354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1372.669354 (E_RNA)
where:
Base-Base interactions energy: -935.497
where: short stacking energy: -429.216
Base-Backbone interact. energy: -2.198
local terms energy: -434.975175
where:
bonds (distance) C4'-P energy: -80.614
bonds (distance) P-C4' energy: -78.610
flat angles C4'-P-C4' energy: -92.621
flat angles P-C4'-P energy: -55.792
tors. eta vs tors. theta energy: -127.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 266
Temperature: 0.950000
Total energy: -1374.993508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1374.993508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1374.993508 (E_RNA)
where:
Base-Base interactions energy: -960.773
where: short stacking energy: -424.404
Base-Backbone interact. energy: -0.704
local terms energy: -413.515711
where:
bonds (distance) C4'-P energy: -73.432
bonds (distance) P-C4' energy: -80.568
flat angles C4'-P-C4' energy: -88.100
flat angles P-C4'-P energy: -45.525
tors. eta vs tors. theta energy: -125.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 266
Temperature: 1.000000
Total energy: -1280.041654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1280.041654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1280.041654 (E_RNA)
where:
Base-Base interactions energy: -862.801
where: short stacking energy: -372.916
Base-Backbone interact. energy: -2.638
local terms energy: -414.602048
where:
bonds (distance) C4'-P energy: -75.614
bonds (distance) P-C4' energy: -77.600
flat angles C4'-P-C4' energy: -80.834
flat angles P-C4'-P energy: -59.889
tors. eta vs tors. theta energy: -120.665
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: 9
=====================================
Write number: 266
Temperature: 1.050000
Total energy: -1190.058522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1190.058522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1190.058522 (E_RNA)
where:
Base-Base interactions energy: -797.265
where: short stacking energy: -355.492
Base-Backbone interact. energy: -0.445
local terms energy: -392.348453
where:
bonds (distance) C4'-P energy: -69.304
bonds (distance) P-C4' energy: -76.137
flat angles C4'-P-C4' energy: -90.220
flat angles P-C4'-P energy: -52.790
tors. eta vs tors. theta energy: -103.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 266
Temperature: 1.100000
Total energy: -1139.129546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1139.129546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1139.129546 (E_RNA)
where:
Base-Base interactions energy: -778.833
where: short stacking energy: -334.025
Base-Backbone interact. energy: -1.365
local terms energy: -358.931492
where:
bonds (distance) C4'-P energy: -69.508
bonds (distance) P-C4' energy: -75.552
flat angles C4'-P-C4' energy: -75.260
flat angles P-C4'-P energy: -44.566
tors. eta vs tors. theta energy: -94.046
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: 6, replica: 4
=====================================
Write number: 266
Temperature: 1.150000
Total energy: -1067.044427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1067.044427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1067.044427 (E_RNA)
where:
Base-Base interactions energy: -730.137
where: short stacking energy: -301.923
Base-Backbone interact. energy: 2.196
local terms energy: -339.102767
where:
bonds (distance) C4'-P energy: -71.807
bonds (distance) P-C4' energy: -74.644
flat angles C4'-P-C4' energy: -71.440
flat angles P-C4'-P energy: -49.417
tors. eta vs tors. theta energy: -71.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 266
Temperature: 1.200000
Total energy: -878.997044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -878.997044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -878.997044 (E_RNA)
where:
Base-Base interactions energy: -574.178
where: short stacking energy: -243.785
Base-Backbone interact. energy: 0.184
local terms energy: -305.003392
where:
bonds (distance) C4'-P energy: -67.405
bonds (distance) P-C4' energy: -64.362
flat angles C4'-P-C4' energy: -72.690
flat angles P-C4'-P energy: -48.376
tors. eta vs tors. theta energy: -52.170
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: 266
Temperature: 1.250000
Total energy: -654.325164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -654.325164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -654.325164 (E_RNA)
where:
Base-Base interactions energy: -368.338
where: short stacking energy: -203.443
Base-Backbone interact. energy: -1.555
local terms energy: -284.432194
where:
bonds (distance) C4'-P energy: -53.680
bonds (distance) P-C4' energy: -77.555
flat angles C4'-P-C4' energy: -57.136
flat angles P-C4'-P energy: -43.076
tors. eta vs tors. theta energy: -52.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 266
Temperature: 1.300000
Total energy: -578.225813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -578.225813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -578.225813 (E_RNA)
where:
Base-Base interactions energy: -337.534
where: short stacking energy: -154.816
Base-Backbone interact. energy: -1.498
local terms energy: -239.194663
where:
bonds (distance) C4'-P energy: -55.301
bonds (distance) P-C4' energy: -64.099
flat angles C4'-P-C4' energy: -67.142
flat angles P-C4'-P energy: -43.846
tors. eta vs tors. theta energy: -8.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 266
Temperature: 1.350000
Total energy: -568.414418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -568.414418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -568.414418 (E_RNA)
where:
Base-Base interactions energy: -330.917
where: short stacking energy: -155.316
Base-Backbone interact. energy: 3.268
local terms energy: -240.765382
where:
bonds (distance) C4'-P energy: -60.609
bonds (distance) P-C4' energy: -68.550
flat angles C4'-P-C4' energy: -56.157
flat angles P-C4'-P energy: -38.143
tors. eta vs tors. theta energy: -17.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 267
Temperature: 0.900000
Total energy: -1370.922204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1370.922204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1370.922204 (E_RNA)
where:
Base-Base interactions energy: -949.940
where: short stacking energy: -418.167
Base-Backbone interact. energy: -1.882
local terms energy: -419.099731
where:
bonds (distance) C4'-P energy: -88.209
bonds (distance) P-C4' energy: -58.643
flat angles C4'-P-C4' energy: -88.137
flat angles P-C4'-P energy: -65.873
tors. eta vs tors. theta energy: -118.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 267
Temperature: 0.950000
Total energy: -1314.571517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1314.571517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1314.571517 (E_RNA)
where:
Base-Base interactions energy: -904.372
where: short stacking energy: -361.608
Base-Backbone interact. energy: -4.069
local terms energy: -406.130208
where:
bonds (distance) C4'-P energy: -72.652
bonds (distance) P-C4' energy: -68.432
flat angles C4'-P-C4' energy: -86.642
flat angles P-C4'-P energy: -62.006
tors. eta vs tors. theta energy: -116.398
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: 3, replica: 7
=====================================
Write number: 267
Temperature: 1.000000
Total energy: -1317.226819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1317.226819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1317.226819 (E_RNA)
where:
Base-Base interactions energy: -909.519
where: short stacking energy: -404.320
Base-Backbone interact. energy: -2.117
local terms energy: -405.591331
where:
bonds (distance) C4'-P energy: -74.243
bonds (distance) P-C4' energy: -67.814
flat angles C4'-P-C4' energy: -91.960
flat angles P-C4'-P energy: -50.417
tors. eta vs tors. theta energy: -121.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 267
Temperature: 1.050000
Total energy: -1190.963194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1190.963194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1190.963194 (E_RNA)
where:
Base-Base interactions energy: -823.826
where: short stacking energy: -358.891
Base-Backbone interact. energy: -1.662
local terms energy: -365.474735
where:
bonds (distance) C4'-P energy: -68.881
bonds (distance) P-C4' energy: -67.457
flat angles C4'-P-C4' energy: -79.857
flat angles P-C4'-P energy: -52.438
tors. eta vs tors. theta energy: -96.842
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: 8
=====================================
Write number: 267
Temperature: 1.100000
Total energy: -1120.190133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1120.190133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1120.190133 (E_RNA)
where:
Base-Base interactions energy: -753.937
where: short stacking energy: -350.926
Base-Backbone interact. energy: -1.359
local terms energy: -364.894105
where:
bonds (distance) C4'-P energy: -65.377
bonds (distance) P-C4' energy: -69.487
flat angles C4'-P-C4' energy: -79.398
flat angles P-C4'-P energy: -55.948
tors. eta vs tors. theta energy: -94.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 267
Temperature: 1.150000
Total energy: -1078.472690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1078.472690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1078.472690 (E_RNA)
where:
Base-Base interactions energy: -752.588
where: short stacking energy: -299.288
Base-Backbone interact. energy: -2.212
local terms energy: -323.672937
where:
bonds (distance) C4'-P energy: -64.055
bonds (distance) P-C4' energy: -81.810
flat angles C4'-P-C4' energy: -72.966
flat angles P-C4'-P energy: -38.539
tors. eta vs tors. theta energy: -66.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 267
Temperature: 1.200000
Total energy: -886.955457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -886.955457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -886.955457 (E_RNA)
where:
Base-Base interactions energy: -583.154
where: short stacking energy: -246.638
Base-Backbone interact. energy: -1.344
local terms energy: -302.457117
where:
bonds (distance) C4'-P energy: -68.449
bonds (distance) P-C4' energy: -83.696
flat angles C4'-P-C4' energy: -65.961
flat angles P-C4'-P energy: -30.087
tors. eta vs tors. theta energy: -54.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 267
Temperature: 1.250000
Total energy: -669.969363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -669.969363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -669.969363 (E_RNA)
where:
Base-Base interactions energy: -409.511
where: short stacking energy: -187.910
Base-Backbone interact. energy: -1.314
local terms energy: -259.279731
where:
bonds (distance) C4'-P energy: -62.628
bonds (distance) P-C4' energy: -76.703
flat angles C4'-P-C4' energy: -56.654
flat angles P-C4'-P energy: -32.241
tors. eta vs tors. theta energy: -31.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.135 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 267
Temperature: 1.300000
Total energy: -532.876073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.876073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.876073 (E_RNA)
where:
Base-Base interactions energy: -302.400
where: short stacking energy: -158.594
Base-Backbone interact. energy: 2.893
local terms energy: -233.369465
where:
bonds (distance) C4'-P energy: -66.605
bonds (distance) P-C4' energy: -74.780
flat angles C4'-P-C4' energy: -61.145
flat angles P-C4'-P energy: -26.142
tors. eta vs tors. theta energy: -4.697
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: 2
=====================================
Write number: 267
Temperature: 1.350000
Total energy: -542.578685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.578685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.578685 (E_RNA)
where:
Base-Base interactions energy: -326.118
where: short stacking energy: -167.724
Base-Backbone interact. energy: 4.511
local terms energy: -220.972488
where:
bonds (distance) C4'-P energy: -52.364
bonds (distance) P-C4' energy: -65.581
flat angles C4'-P-C4' energy: -50.563
flat angles P-C4'-P energy: -34.682
tors. eta vs tors. theta energy: -17.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 268
Temperature: 0.900000
Total energy: -1371.382363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1371.382363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1371.382363 (E_RNA)
where:
Base-Base interactions energy: -945.879
where: short stacking energy: -396.481
Base-Backbone interact. energy: -1.611
local terms energy: -423.892724
where:
bonds (distance) C4'-P energy: -81.279
bonds (distance) P-C4' energy: -80.750
flat angles C4'-P-C4' energy: -86.258
flat angles P-C4'-P energy: -62.453
tors. eta vs tors. theta energy: -113.153
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: 2, replica: 5
=====================================
Write number: 268
Temperature: 0.950000
Total energy: -1317.200417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1317.200417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1317.200417 (E_RNA)
where:
Base-Base interactions energy: -894.459
where: short stacking energy: -385.905
Base-Backbone interact. energy: -3.989
local terms energy: -418.752191
where:
bonds (distance) C4'-P energy: -76.036
bonds (distance) P-C4' energy: -81.983
flat angles C4'-P-C4' energy: -86.911
flat angles P-C4'-P energy: -56.362
tors. eta vs tors. theta energy: -117.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 268
Temperature: 1.000000
Total energy: -1320.782420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1320.782420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1320.782420 (E_RNA)
where:
Base-Base interactions energy: -923.241
where: short stacking energy: -403.664
Base-Backbone interact. energy: 0.657
local terms energy: -398.198028
where:
bonds (distance) C4'-P energy: -79.749
bonds (distance) P-C4' energy: -60.305
flat angles C4'-P-C4' energy: -82.703
flat angles P-C4'-P energy: -57.515
tors. eta vs tors. theta energy: -117.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 268
Temperature: 1.050000
Total energy: -1174.672600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1174.672600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1174.672600 (E_RNA)
where:
Base-Base interactions energy: -827.453
where: short stacking energy: -360.348
Base-Backbone interact. energy: -0.924
local terms energy: -346.296215
where:
bonds (distance) C4'-P energy: -57.450
bonds (distance) P-C4' energy: -65.707
flat angles C4'-P-C4' energy: -70.916
flat angles P-C4'-P energy: -51.846
tors. eta vs tors. theta energy: -100.377
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: 5, replica: 4
=====================================
Write number: 268
Temperature: 1.100000
Total energy: -1113.986859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1113.986859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1113.986859 (E_RNA)
where:
Base-Base interactions energy: -753.316
where: short stacking energy: -317.879
Base-Backbone interact. energy: -0.849
local terms energy: -359.821471
where:
bonds (distance) C4'-P energy: -73.861
bonds (distance) P-C4' energy: -77.002
flat angles C4'-P-C4' energy: -79.774
flat angles P-C4'-P energy: -53.312
tors. eta vs tors. theta energy: -75.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 268
Temperature: 1.150000
Total energy: -1089.455023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1089.455023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1089.455023 (E_RNA)
where:
Base-Base interactions energy: -738.450
where: short stacking energy: -315.302
Base-Backbone interact. energy: -1.300
local terms energy: -349.705135
where:
bonds (distance) C4'-P energy: -68.051
bonds (distance) P-C4' energy: -71.130
flat angles C4'-P-C4' energy: -70.109
flat angles P-C4'-P energy: -54.862
tors. eta vs tors. theta energy: -85.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 268
Temperature: 1.200000
Total energy: -885.062237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -885.062237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -885.062237 (E_RNA)
where:
Base-Base interactions energy: -565.968
where: short stacking energy: -260.022
Base-Backbone interact. energy: -1.991
local terms energy: -317.102762
where:
bonds (distance) C4'-P energy: -63.810
bonds (distance) P-C4' energy: -70.322
flat angles C4'-P-C4' energy: -69.385
flat angles P-C4'-P energy: -54.815
tors. eta vs tors. theta energy: -58.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 268
Temperature: 1.250000
Total energy: -733.291646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -733.291646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -733.291646 (E_RNA)
where:
Base-Base interactions energy: -474.781
where: short stacking energy: -214.041
Base-Backbone interact. energy: 4.486
local terms energy: -262.997138
where:
bonds (distance) C4'-P energy: -65.446
bonds (distance) P-C4' energy: -49.479
flat angles C4'-P-C4' energy: -71.255
flat angles P-C4'-P energy: -37.890
tors. eta vs tors. theta energy: -38.926
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: 9, replica: 2
=====================================
Write number: 268
Temperature: 1.300000
Total energy: -635.871147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -635.871147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -635.871147 (E_RNA)
where:
Base-Base interactions energy: -393.064
where: short stacking energy: -189.974
Base-Backbone interact. energy: 1.398
local terms energy: -245.509231
where:
bonds (distance) C4'-P energy: -56.429
bonds (distance) P-C4' energy: -76.579
flat angles C4'-P-C4' energy: -54.331
flat angles P-C4'-P energy: -35.858
tors. eta vs tors. theta energy: -22.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.304 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 268
Temperature: 1.350000
Total energy: -544.924649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.924649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.924649 (E_RNA)
where:
Base-Base interactions energy: -320.997
where: short stacking energy: -131.461
Base-Backbone interact. energy: 3.183
local terms energy: -227.109813
where:
bonds (distance) C4'-P energy: -72.661
bonds (distance) P-C4' energy: -67.389
flat angles C4'-P-C4' energy: -50.672
flat angles P-C4'-P energy: -33.674
tors. eta vs tors. theta energy: -2.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 269
Temperature: 0.900000
Total energy: -1362.708897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1362.708897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1362.708897 (E_RNA)
where:
Base-Base interactions energy: -943.911
where: short stacking energy: -400.694
Base-Backbone interact. energy: -2.327
local terms energy: -416.471411
where:
bonds (distance) C4'-P energy: -71.909
bonds (distance) P-C4' energy: -84.188
flat angles C4'-P-C4' energy: -90.846
flat angles P-C4'-P energy: -51.342
tors. eta vs tors. theta energy: -118.186
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: 7
=====================================
Write number: 269
Temperature: 0.950000
Total energy: -1362.722892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1362.722892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1362.722892 (E_RNA)
where:
Base-Base interactions energy: -938.463
where: short stacking energy: -419.208
Base-Backbone interact. energy: -0.259
local terms energy: -424.000867
where:
bonds (distance) C4'-P energy: -84.373
bonds (distance) P-C4' energy: -73.985
flat angles C4'-P-C4' energy: -89.333
flat angles P-C4'-P energy: -59.398
tors. eta vs tors. theta energy: -116.911
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: 3, replica: 5
=====================================
Write number: 269
Temperature: 1.000000
Total energy: -1270.822191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1270.822191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1270.822191 (E_RNA)
where:
Base-Base interactions energy: -889.720
where: short stacking energy: -373.065
Base-Backbone interact. energy: -1.840
local terms energy: -379.262337
where:
bonds (distance) C4'-P energy: -60.883
bonds (distance) P-C4' energy: -84.177
flat angles C4'-P-C4' energy: -74.056
flat angles P-C4'-P energy: -55.578
tors. eta vs tors. theta energy: -104.568
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: 4, replica: 9
=====================================
Write number: 269
Temperature: 1.050000
Total energy: -1172.666539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1172.666539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1172.666539 (E_RNA)
where:
Base-Base interactions energy: -820.770
where: short stacking energy: -334.543
Base-Backbone interact. energy: 0.814
local terms energy: -352.710558
where:
bonds (distance) C4'-P energy: -70.649
bonds (distance) P-C4' energy: -57.966
flat angles C4'-P-C4' energy: -81.555
flat angles P-C4'-P energy: -54.403
tors. eta vs tors. theta energy: -88.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 269
Temperature: 1.100000
Total energy: -1112.090364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1112.090364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1112.090364 (E_RNA)
where:
Base-Base interactions energy: -766.286
where: short stacking energy: -323.414
Base-Backbone interact. energy: -2.939
local terms energy: -342.865665
where:
bonds (distance) C4'-P energy: -80.275
bonds (distance) P-C4' energy: -60.358
flat angles C4'-P-C4' energy: -79.857
flat angles P-C4'-P energy: -46.291
tors. eta vs tors. theta energy: -76.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 269
Temperature: 1.150000
Total energy: -1078.465166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1078.465166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1078.465166 (E_RNA)
where:
Base-Base interactions energy: -709.557
where: short stacking energy: -316.639
Base-Backbone interact. energy: -0.505
local terms energy: -368.403517
where:
bonds (distance) C4'-P energy: -75.619
bonds (distance) P-C4' energy: -70.278
flat angles C4'-P-C4' energy: -84.731
flat angles P-C4'-P energy: -53.036
tors. eta vs tors. theta energy: -84.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 269
Temperature: 1.200000
Total energy: -846.053093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -846.053093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -846.053093 (E_RNA)
where:
Base-Base interactions energy: -546.840
where: short stacking energy: -232.723
Base-Backbone interact. energy: -1.386
local terms energy: -297.826661
where:
bonds (distance) C4'-P energy: -59.307
bonds (distance) P-C4' energy: -81.149
flat angles C4'-P-C4' energy: -59.901
flat angles P-C4'-P energy: -51.091
tors. eta vs tors. theta energy: -46.378
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: 1
=====================================
Write number: 269
Temperature: 1.250000
Total energy: -766.282789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -766.282789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -766.282789 (E_RNA)
where:
Base-Base interactions energy: -467.302
where: short stacking energy: -205.782
Base-Backbone interact. energy: -2.408
local terms energy: -296.573145
where:
bonds (distance) C4'-P energy: -69.378
bonds (distance) P-C4' energy: -62.672
flat angles C4'-P-C4' energy: -73.984
flat angles P-C4'-P energy: -54.718
tors. eta vs tors. theta energy: -35.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 269
Temperature: 1.300000
Total energy: -545.965124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.965124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.965124 (E_RNA)
where:
Base-Base interactions energy: -312.967
where: short stacking energy: -153.650
Base-Backbone interact. energy: -1.404
local terms energy: -235.625762
where:
bonds (distance) C4'-P energy: -56.373
bonds (distance) P-C4' energy: -64.039
flat angles C4'-P-C4' energy: -63.544
flat angles P-C4'-P energy: -35.419
tors. eta vs tors. theta energy: -16.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 4.032 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 269
Temperature: 1.350000
Total energy: -513.451844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.451844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.451844 (E_RNA)
where:
Base-Base interactions energy: -298.898
where: short stacking energy: -124.329
Base-Backbone interact. energy: -1.155
local terms energy: -213.398920
where:
bonds (distance) C4'-P energy: -58.718
bonds (distance) P-C4' energy: -57.730
flat angles C4'-P-C4' energy: -51.847
flat angles P-C4'-P energy: -40.811
tors. eta vs tors. theta energy: -4.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 270
Temperature: 0.900000
Total energy: -1345.778194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1345.778194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1345.778194 (E_RNA)
where:
Base-Base interactions energy: -943.840
where: short stacking energy: -411.654
Base-Backbone interact. energy: -2.178
local terms energy: -399.760094
where:
bonds (distance) C4'-P energy: -64.244
bonds (distance) P-C4' energy: -78.965
flat angles C4'-P-C4' energy: -89.571
flat angles P-C4'-P energy: -53.948
tors. eta vs tors. theta energy: -113.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 270
Temperature: 0.950000
Total energy: -1344.885890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1344.885890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1344.885890 (E_RNA)
where:
Base-Base interactions energy: -926.466
where: short stacking energy: -397.138
Base-Backbone interact. energy: -2.548
local terms energy: -415.871973
where:
bonds (distance) C4'-P energy: -71.453
bonds (distance) P-C4' energy: -76.980
flat angles C4'-P-C4' energy: -86.694
flat angles P-C4'-P energy: -62.504
tors. eta vs tors. theta energy: -118.240
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: 5
=====================================
Write number: 270
Temperature: 1.000000
Total energy: -1283.003643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1283.003643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1283.003643 (E_RNA)
where:
Base-Base interactions energy: -887.160
where: short stacking energy: -379.143
Base-Backbone interact. energy: 2.085
local terms energy: -397.929035
where:
bonds (distance) C4'-P energy: -76.395
bonds (distance) P-C4' energy: -69.791
flat angles C4'-P-C4' energy: -83.250
flat angles P-C4'-P energy: -62.237
tors. eta vs tors. theta energy: -106.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 270
Temperature: 1.050000
Total energy: -1201.020404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1201.020404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1201.020404 (E_RNA)
where:
Base-Base interactions energy: -844.067
where: short stacking energy: -358.001
Base-Backbone interact. energy: -0.634
local terms energy: -356.319200
where:
bonds (distance) C4'-P energy: -59.614
bonds (distance) P-C4' energy: -76.297
flat angles C4'-P-C4' energy: -72.645
flat angles P-C4'-P energy: -46.032
tors. eta vs tors. theta energy: -101.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 270
Temperature: 1.100000
Total energy: -1118.652841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1118.652841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1118.652841 (E_RNA)
where:
Base-Base interactions energy: -773.372
where: short stacking energy: -314.737
Base-Backbone interact. energy: 1.822
local terms energy: -347.102587
where:
bonds (distance) C4'-P energy: -60.971
bonds (distance) P-C4' energy: -78.759
flat angles C4'-P-C4' energy: -78.934
flat angles P-C4'-P energy: -49.931
tors. eta vs tors. theta energy: -78.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 270
Temperature: 1.150000
Total energy: -1035.439249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1035.439249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1035.439249 (E_RNA)
where:
Base-Base interactions energy: -704.397
where: short stacking energy: -305.708
Base-Backbone interact. energy: -1.373
local terms energy: -329.668727
where:
bonds (distance) C4'-P energy: -61.668
bonds (distance) P-C4' energy: -62.628
flat angles C4'-P-C4' energy: -75.915
flat angles P-C4'-P energy: -51.954
tors. eta vs tors. theta energy: -77.503
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: 270
Temperature: 1.200000
Total energy: -843.097184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -843.097184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -843.097184 (E_RNA)
where:
Base-Base interactions energy: -539.605
where: short stacking energy: -249.648
Base-Backbone interact. energy: -0.952
local terms energy: -302.540116
where:
bonds (distance) C4'-P energy: -58.139
bonds (distance) P-C4' energy: -82.943
flat angles C4'-P-C4' energy: -66.556
flat angles P-C4'-P energy: -41.172
tors. eta vs tors. theta energy: -53.730
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: 8, replica: 10
=====================================
Write number: 270
Temperature: 1.250000
Total energy: -789.146906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -789.146906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -789.146906 (E_RNA)
where:
Base-Base interactions energy: -504.417
where: short stacking energy: -235.953
Base-Backbone interact. energy: -2.852
local terms energy: -281.877674
where:
bonds (distance) C4'-P energy: -50.637
bonds (distance) P-C4' energy: -66.938
flat angles C4'-P-C4' energy: -69.629
flat angles P-C4'-P energy: -38.894
tors. eta vs tors. theta energy: -55.780
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: 2
=====================================
Write number: 270
Temperature: 1.300000
Total energy: -585.223168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -585.223168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -585.223168 (E_RNA)
where:
Base-Base interactions energy: -319.216
where: short stacking energy: -162.521
Base-Backbone interact. energy: 0.727
local terms energy: -267.828829
where:
bonds (distance) C4'-P energy: -69.981
bonds (distance) P-C4' energy: -67.937
flat angles C4'-P-C4' energy: -71.380
flat angles P-C4'-P energy: -38.111
tors. eta vs tors. theta energy: -20.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.095 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 270
Temperature: 1.350000
Total energy: -481.581394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.581394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.581394 (E_RNA)
where:
Base-Base interactions energy: -261.908
where: short stacking energy: -149.477
Base-Backbone interact. energy: 0.763
local terms energy: -220.436591
where:
bonds (distance) C4'-P energy: -66.983
bonds (distance) P-C4' energy: -61.341
flat angles C4'-P-C4' energy: -46.117
flat angles P-C4'-P energy: -37.250
tors. eta vs tors. theta energy: -8.745
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: 3
=====================================
Write number: 271
Temperature: 0.900000
Total energy: -1352.436270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1352.436270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1352.436270 (E_RNA)
where:
Base-Base interactions energy: -922.946
where: short stacking energy: -401.669
Base-Backbone interact. energy: -2.118
local terms energy: -427.372673
where:
bonds (distance) C4'-P energy: -78.978
bonds (distance) P-C4' energy: -77.091
flat angles C4'-P-C4' energy: -90.399
flat angles P-C4'-P energy: -58.830
tors. eta vs tors. theta energy: -122.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 271
Temperature: 0.950000
Total energy: -1331.170965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1331.170965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1331.170965 (E_RNA)
where:
Base-Base interactions energy: -918.409
where: short stacking energy: -378.070
Base-Backbone interact. energy: -0.998
local terms energy: -411.763637
where:
bonds (distance) C4'-P energy: -75.934
bonds (distance) P-C4' energy: -73.163
flat angles C4'-P-C4' energy: -96.248
flat angles P-C4'-P energy: -56.556
tors. eta vs tors. theta energy: -109.862
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: 5
=====================================
Write number: 271
Temperature: 1.000000
Total energy: -1295.749485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1295.749485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1295.749485 (E_RNA)
where:
Base-Base interactions energy: -892.921
where: short stacking energy: -371.325
Base-Backbone interact. energy: -1.362
local terms energy: -401.465999
where:
bonds (distance) C4'-P energy: -60.899
bonds (distance) P-C4' energy: -85.513
flat angles C4'-P-C4' energy: -88.679
flat angles P-C4'-P energy: -56.059
tors. eta vs tors. theta energy: -110.317
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: 4, replica: 9
=====================================
Write number: 271
Temperature: 1.050000
Total energy: -1201.828507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1201.828507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1201.828507 (E_RNA)
where:
Base-Base interactions energy: -831.683
where: short stacking energy: -356.090
Base-Backbone interact. energy: -0.446
local terms energy: -369.699747
where:
bonds (distance) C4'-P energy: -64.031
bonds (distance) P-C4' energy: -85.416
flat angles C4'-P-C4' energy: -71.778
flat angles P-C4'-P energy: -52.876
tors. eta vs tors. theta energy: -95.599
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: 4
=====================================
Write number: 271
Temperature: 1.100000
Total energy: -1128.269904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1128.269904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1128.269904 (E_RNA)
where:
Base-Base interactions energy: -782.114
where: short stacking energy: -326.770
Base-Backbone interact. energy: -4.534
local terms energy: -341.621090
where:
bonds (distance) C4'-P energy: -64.373
bonds (distance) P-C4' energy: -68.285
flat angles C4'-P-C4' energy: -80.955
flat angles P-C4'-P energy: -46.809
tors. eta vs tors. theta energy: -81.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 271
Temperature: 1.150000
Total energy: -1013.674817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1013.674817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1013.674817 (E_RNA)
where:
Base-Base interactions energy: -684.328
where: short stacking energy: -300.933
Base-Backbone interact. energy: -0.398
local terms energy: -328.948233
where:
bonds (distance) C4'-P energy: -70.683
bonds (distance) P-C4' energy: -71.517
flat angles C4'-P-C4' energy: -67.865
flat angles P-C4'-P energy: -40.234
tors. eta vs tors. theta energy: -78.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 271
Temperature: 1.200000
Total energy: -809.256009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -809.256009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -809.256009 (E_RNA)
where:
Base-Base interactions energy: -494.164
where: short stacking energy: -230.723
Base-Backbone interact. energy: -2.102
local terms energy: -312.990142
where:
bonds (distance) C4'-P energy: -74.616
bonds (distance) P-C4' energy: -67.456
flat angles C4'-P-C4' energy: -75.712
flat angles P-C4'-P energy: -54.911
tors. eta vs tors. theta energy: -40.295
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: 10
=====================================
Write number: 271
Temperature: 1.250000
Total energy: -787.477661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -787.477661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -787.477661 (E_RNA)
where:
Base-Base interactions energy: -505.323
where: short stacking energy: -231.610
Base-Backbone interact. energy: -1.624
local terms energy: -280.530776
where:
bonds (distance) C4'-P energy: -53.725
bonds (distance) P-C4' energy: -78.983
flat angles C4'-P-C4' energy: -72.925
flat angles P-C4'-P energy: -32.519
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: 9, replica: 2
=====================================
Write number: 271
Temperature: 1.300000
Total energy: -576.912058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -576.912058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -576.912058 (E_RNA)
where:
Base-Base interactions energy: -312.814
where: short stacking energy: -158.256
Base-Backbone interact. energy: -0.109
local terms energy: -263.988621
where:
bonds (distance) C4'-P energy: -60.099
bonds (distance) P-C4' energy: -77.882
flat angles C4'-P-C4' energy: -77.482
flat angles P-C4'-P energy: -30.315
tors. eta vs tors. theta energy: -18.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 271
Temperature: 1.350000
Total energy: -516.214609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.214609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.214609 (E_RNA)
where:
Base-Base interactions energy: -303.511
where: short stacking energy: -142.244
Base-Backbone interact. energy: -4.002
local terms energy: -208.701543
where:
bonds (distance) C4'-P energy: -59.440
bonds (distance) P-C4' energy: -63.308
flat angles C4'-P-C4' energy: -62.338
flat angles P-C4'-P energy: -22.881
tors. eta vs tors. theta energy: -0.736
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: 3
=====================================
Write number: 272
Temperature: 0.900000
Total energy: -1363.105232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1363.105232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1363.105232 (E_RNA)
where:
Base-Base interactions energy: -931.394
where: short stacking energy: -393.654
Base-Backbone interact. energy: -1.425
local terms energy: -430.286349
where:
bonds (distance) C4'-P energy: -85.311
bonds (distance) P-C4' energy: -81.348
flat angles C4'-P-C4' energy: -88.798
flat angles P-C4'-P energy: -59.626
tors. eta vs tors. theta energy: -115.203
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: 272
Temperature: 0.950000
Total energy: -1375.543514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1375.543514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1375.543514 (E_RNA)
where:
Base-Base interactions energy: -951.657
where: short stacking energy: -386.335
Base-Backbone interact. energy: -1.840
local terms energy: -422.046482
where:
bonds (distance) C4'-P energy: -64.060
bonds (distance) P-C4' energy: -88.213
flat angles C4'-P-C4' energy: -92.255
flat angles P-C4'-P energy: -61.643
tors. eta vs tors. theta energy: -115.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 272
Temperature: 1.000000
Total energy: -1321.310610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1321.310610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1321.310610 (E_RNA)
where:
Base-Base interactions energy: -930.547
where: short stacking energy: -396.241
Base-Backbone interact. energy: 0.569
local terms energy: -391.332437
where:
bonds (distance) C4'-P energy: -72.971
bonds (distance) P-C4' energy: -77.003
flat angles C4'-P-C4' energy: -83.061
flat angles P-C4'-P energy: -48.577
tors. eta vs tors. theta energy: -109.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 272
Temperature: 1.050000
Total energy: -1194.289380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1194.289380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1194.289380 (E_RNA)
where:
Base-Base interactions energy: -810.401
where: short stacking energy: -330.910
Base-Backbone interact. energy: -1.379
local terms energy: -382.509839
where:
bonds (distance) C4'-P energy: -81.144
bonds (distance) P-C4' energy: -81.755
flat angles C4'-P-C4' energy: -77.750
flat angles P-C4'-P energy: -57.714
tors. eta vs tors. theta energy: -84.149
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: 4
=====================================
Write number: 272
Temperature: 1.100000
Total energy: -1095.562571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1095.562571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1095.562571 (E_RNA)
where:
Base-Base interactions energy: -741.690
where: short stacking energy: -300.876
Base-Backbone interact. energy: -1.275
local terms energy: -352.597897
where:
bonds (distance) C4'-P energy: -72.646
bonds (distance) P-C4' energy: -64.711
flat angles C4'-P-C4' energy: -80.500
flat angles P-C4'-P energy: -53.934
tors. eta vs tors. theta energy: -80.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 272
Temperature: 1.150000
Total energy: -1075.210264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1075.210264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1075.210264 (E_RNA)
where:
Base-Base interactions energy: -724.271
where: short stacking energy: -312.142
Base-Backbone interact. energy: 1.302
local terms energy: -352.240808
where:
bonds (distance) C4'-P energy: -76.375
bonds (distance) P-C4' energy: -69.251
flat angles C4'-P-C4' energy: -71.492
flat angles P-C4'-P energy: -48.801
tors. eta vs tors. theta energy: -86.321
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: 272
Temperature: 1.200000
Total energy: -816.917462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -816.917462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -816.917462 (E_RNA)
where:
Base-Base interactions energy: -518.834
where: short stacking energy: -250.377
Base-Backbone interact. energy: -2.840
local terms energy: -295.243552
where:
bonds (distance) C4'-P energy: -61.992
bonds (distance) P-C4' energy: -70.899
flat angles C4'-P-C4' energy: -62.041
flat angles P-C4'-P energy: -34.556
tors. eta vs tors. theta energy: -65.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 272
Temperature: 1.250000
Total energy: -792.104908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -792.104908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -792.104908 (E_RNA)
where:
Base-Base interactions energy: -494.198
where: short stacking energy: -226.444
Base-Backbone interact. energy: 2.386
local terms energy: -300.293487
where:
bonds (distance) C4'-P energy: -57.091
bonds (distance) P-C4' energy: -81.894
flat angles C4'-P-C4' energy: -67.821
flat angles P-C4'-P energy: -46.136
tors. eta vs tors. theta energy: -47.352
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: 2
=====================================
Write number: 272
Temperature: 1.300000
Total energy: -553.609354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.609354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.609354 (E_RNA)
where:
Base-Base interactions energy: -334.458
where: short stacking energy: -182.320
Base-Backbone interact. energy: -0.194
local terms energy: -218.957725
where:
bonds (distance) C4'-P energy: -46.871
bonds (distance) P-C4' energy: -64.214
flat angles C4'-P-C4' energy: -61.832
flat angles P-C4'-P energy: -28.636
tors. eta vs tors. theta energy: -17.404
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: 6
=====================================
Write number: 272
Temperature: 1.350000
Total energy: -493.025191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.025191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.025191 (E_RNA)
where:
Base-Base interactions energy: -262.559
where: short stacking energy: -139.718
Base-Backbone interact. energy: 3.109
local terms energy: -233.575083
where:
bonds (distance) C4'-P energy: -64.584
bonds (distance) P-C4' energy: -66.514
flat angles C4'-P-C4' energy: -53.551
flat angles P-C4'-P energy: -38.821
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: 1, replica: 3
=====================================
Write number: 273
Temperature: 0.900000
Total energy: -1363.703915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1363.703915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1363.703915 (E_RNA)
where:
Base-Base interactions energy: -958.025
where: short stacking energy: -400.388
Base-Backbone interact. energy: -1.358
local terms energy: -404.321547
where:
bonds (distance) C4'-P energy: -75.243
bonds (distance) P-C4' energy: -86.450
flat angles C4'-P-C4' energy: -79.911
flat angles P-C4'-P energy: -59.812
tors. eta vs tors. theta energy: -102.904
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: 7
=====================================
Write number: 273
Temperature: 0.950000
Total energy: -1346.169430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1346.169430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1346.169430 (E_RNA)
where:
Base-Base interactions energy: -936.197
where: short stacking energy: -385.192
Base-Backbone interact. energy: -0.256
local terms energy: -409.715603
where:
bonds (distance) C4'-P energy: -79.153
bonds (distance) P-C4' energy: -78.525
flat angles C4'-P-C4' energy: -80.357
flat angles P-C4'-P energy: -68.208
tors. eta vs tors. theta energy: -103.473
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: 3, replica: 5
=====================================
Write number: 273
Temperature: 1.000000
Total energy: -1291.847050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1291.847050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1291.847050 (E_RNA)
where:
Base-Base interactions energy: -881.564
where: short stacking energy: -399.406
Base-Backbone interact. energy: -2.827
local terms energy: -407.455751
where:
bonds (distance) C4'-P energy: -69.861
bonds (distance) P-C4' energy: -79.851
flat angles C4'-P-C4' energy: -82.870
flat angles P-C4'-P energy: -59.925
tors. eta vs tors. theta energy: -114.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 273
Temperature: 1.050000
Total energy: -1185.105242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1185.105242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1185.105242 (E_RNA)
where:
Base-Base interactions energy: -825.355
where: short stacking energy: -361.980
Base-Backbone interact. energy: -1.034
local terms energy: -358.716028
where:
bonds (distance) C4'-P energy: -62.845
bonds (distance) P-C4' energy: -63.724
flat angles C4'-P-C4' energy: -87.460
flat angles P-C4'-P energy: -52.469
tors. eta vs tors. theta energy: -92.218
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: 4
=====================================
Write number: 273
Temperature: 1.100000
Total energy: -1096.993199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1096.993199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1096.993199 (E_RNA)
where:
Base-Base interactions energy: -745.133
where: short stacking energy: -308.515
Base-Backbone interact. energy: -2.644
local terms energy: -349.215960
where:
bonds (distance) C4'-P energy: -75.670
bonds (distance) P-C4' energy: -78.921
flat angles C4'-P-C4' energy: -75.396
flat angles P-C4'-P energy: -48.284
tors. eta vs tors. theta energy: -70.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 273
Temperature: 1.150000
Total energy: -1065.398258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1065.398258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1065.398258 (E_RNA)
where:
Base-Base interactions energy: -711.976
where: short stacking energy: -314.997
Base-Backbone interact. energy: -1.157
local terms energy: -352.265333
where:
bonds (distance) C4'-P energy: -62.492
bonds (distance) P-C4' energy: -78.996
flat angles C4'-P-C4' energy: -68.115
flat angles P-C4'-P energy: -52.550
tors. eta vs tors. theta energy: -90.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 273
Temperature: 1.200000
Total energy: -818.200303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -818.200303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -818.200303 (E_RNA)
where:
Base-Base interactions energy: -516.801
where: short stacking energy: -242.567
Base-Backbone interact. energy: 0.041
local terms energy: -301.440341
where:
bonds (distance) C4'-P energy: -47.527
bonds (distance) P-C4' energy: -75.597
flat angles C4'-P-C4' energy: -75.863
flat angles P-C4'-P energy: -53.267
tors. eta vs tors. theta energy: -49.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 273
Temperature: 1.250000
Total energy: -774.381200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -774.381200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -774.381200 (E_RNA)
where:
Base-Base interactions energy: -503.727
where: short stacking energy: -224.281
Base-Backbone interact. energy: -1.486
local terms energy: -269.168296
where:
bonds (distance) C4'-P energy: -62.202
bonds (distance) P-C4' energy: -66.878
flat angles C4'-P-C4' energy: -59.990
flat angles P-C4'-P energy: -40.162
tors. eta vs tors. theta energy: -39.937
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: 2
=====================================
Write number: 273
Temperature: 1.300000
Total energy: -550.428265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.428265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.428265 (E_RNA)
where:
Base-Base interactions energy: -321.541
where: short stacking energy: -169.793
Base-Backbone interact. energy: 0.424
local terms energy: -230.872498
where:
bonds (distance) C4'-P energy: -64.047
bonds (distance) P-C4' energy: -56.652
flat angles C4'-P-C4' energy: -61.719
flat angles P-C4'-P energy: -31.569
tors. eta vs tors. theta energy: -16.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.561 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 273
Temperature: 1.350000
Total energy: -496.032875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.032875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.032875 (E_RNA)
where:
Base-Base interactions energy: -273.973
where: short stacking energy: -165.501
Base-Backbone interact. energy: -1.150
local terms energy: -220.909589
where:
bonds (distance) C4'-P energy: -56.515
bonds (distance) P-C4' energy: -70.091
flat angles C4'-P-C4' energy: -53.477
flat angles P-C4'-P energy: -34.127
tors. eta vs tors. theta energy: -6.700
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: 7
=====================================
Write number: 274
Temperature: 0.900000
Total energy: -1377.131858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1377.131858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1377.131858 (E_RNA)
where:
Base-Base interactions energy: -969.711
where: short stacking energy: -406.899
Base-Backbone interact. energy: -1.453
local terms energy: -405.967917
where:
bonds (distance) C4'-P energy: -74.836
bonds (distance) P-C4' energy: -73.995
flat angles C4'-P-C4' energy: -79.628
flat angles P-C4'-P energy: -58.088
tors. eta vs tors. theta energy: -119.422
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: 3
=====================================
Write number: 274
Temperature: 0.950000
Total energy: -1328.398687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1328.398687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1328.398687 (E_RNA)
where:
Base-Base interactions energy: -924.173
where: short stacking energy: -393.543
Base-Backbone interact. energy: -0.716
local terms energy: -403.510275
where:
bonds (distance) C4'-P energy: -71.284
bonds (distance) P-C4' energy: -75.920
flat angles C4'-P-C4' energy: -82.436
flat angles P-C4'-P energy: -61.646
tors. eta vs tors. theta energy: -112.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 274
Temperature: 1.000000
Total energy: -1303.176882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1303.176882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1303.176882 (E_RNA)
where:
Base-Base interactions energy: -881.470
where: short stacking energy: -383.854
Base-Backbone interact. energy: -0.058
local terms energy: -421.648863
where:
bonds (distance) C4'-P energy: -78.688
bonds (distance) P-C4' energy: -72.821
flat angles C4'-P-C4' energy: -91.817
flat angles P-C4'-P energy: -61.385
tors. eta vs tors. theta energy: -116.939
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: 9
=====================================
Write number: 274
Temperature: 1.050000
Total energy: -1171.757585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1171.757585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1171.757585 (E_RNA)
where:
Base-Base interactions energy: -796.928
where: short stacking energy: -354.176
Base-Backbone interact. energy: -1.791
local terms energy: -373.038022
where:
bonds (distance) C4'-P energy: -79.682
bonds (distance) P-C4' energy: -68.370
flat angles C4'-P-C4' energy: -83.418
flat angles P-C4'-P energy: -43.428
tors. eta vs tors. theta energy: -98.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 274
Temperature: 1.100000
Total energy: -1132.035319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1132.035319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1132.035319 (E_RNA)
where:
Base-Base interactions energy: -748.311
where: short stacking energy: -327.563
Base-Backbone interact. energy: -2.490
local terms energy: -381.234148
where:
bonds (distance) C4'-P energy: -66.530
bonds (distance) P-C4' energy: -85.114
flat angles C4'-P-C4' energy: -70.524
flat angles P-C4'-P energy: -57.226
tors. eta vs tors. theta energy: -101.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 274
Temperature: 1.150000
Total energy: -1025.744767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1025.744767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1025.744767 (E_RNA)
where:
Base-Base interactions energy: -680.946
where: short stacking energy: -282.781
Base-Backbone interact. energy: -2.780
local terms energy: -342.018917
where:
bonds (distance) C4'-P energy: -67.868
bonds (distance) P-C4' energy: -81.131
flat angles C4'-P-C4' energy: -70.722
flat angles P-C4'-P energy: -53.340
tors. eta vs tors. theta energy: -68.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 274
Temperature: 1.200000
Total energy: -808.424040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -808.424040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -808.424040 (E_RNA)
where:
Base-Base interactions energy: -522.272
where: short stacking energy: -242.013
Base-Backbone interact. energy: 3.062
local terms energy: -289.213608
where:
bonds (distance) C4'-P energy: -67.323
bonds (distance) P-C4' energy: -67.277
flat angles C4'-P-C4' energy: -70.077
flat angles P-C4'-P energy: -31.037
tors. eta vs tors. theta energy: -53.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 274
Temperature: 1.250000
Total energy: -811.591790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -811.591790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -811.591790 (E_RNA)
where:
Base-Base interactions energy: -480.453
where: short stacking energy: -209.956
Base-Backbone interact. energy: -1.048
local terms energy: -330.090084
where:
bonds (distance) C4'-P energy: -71.392
bonds (distance) P-C4' energy: -68.502
flat angles C4'-P-C4' energy: -72.944
flat angles P-C4'-P energy: -59.764
tors. eta vs tors. theta energy: -57.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 274
Temperature: 1.300000
Total energy: -481.219403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.219403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.219403 (E_RNA)
where:
Base-Base interactions energy: -253.929
where: short stacking energy: -152.620
Base-Backbone interact. energy: -1.586
local terms energy: -225.704793
where:
bonds (distance) C4'-P energy: -57.519
bonds (distance) P-C4' energy: -56.156
flat angles C4'-P-C4' energy: -65.120
flat angles P-C4'-P energy: -39.801
tors. eta vs tors. theta energy: -7.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 274
Temperature: 1.350000
Total energy: -495.788657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.788657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.788657 (E_RNA)
where:
Base-Base interactions energy: -293.714
where: short stacking energy: -162.795
Base-Backbone interact. energy: -0.940
local terms energy: -201.134390
where:
bonds (distance) C4'-P energy: -37.328
bonds (distance) P-C4' energy: -56.062
flat angles C4'-P-C4' energy: -52.292
flat angles P-C4'-P energy: -37.570
tors. eta vs tors. theta energy: -17.882
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: 7
=====================================
Write number: 275
Temperature: 0.900000
Total energy: -1376.354564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1376.354564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1376.354564 (E_RNA)
where:
Base-Base interactions energy: -949.639
where: short stacking energy: -378.789
Base-Backbone interact. energy: -2.431
local terms energy: -424.284764
where:
bonds (distance) C4'-P energy: -78.738
bonds (distance) P-C4' energy: -80.809
flat angles C4'-P-C4' energy: -92.923
flat angles P-C4'-P energy: -63.187
tors. eta vs tors. theta energy: -108.629
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: 3
=====================================
Write number: 275
Temperature: 0.950000
Total energy: -1334.516916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1334.516916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1334.516916 (E_RNA)
where:
Base-Base interactions energy: -929.572
where: short stacking energy: -391.095
Base-Backbone interact. energy: 0.913
local terms energy: -405.858000
where:
bonds (distance) C4'-P energy: -74.156
bonds (distance) P-C4' energy: -71.542
flat angles C4'-P-C4' energy: -82.180
flat angles P-C4'-P energy: -57.213
tors. eta vs tors. theta energy: -120.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 275
Temperature: 1.000000
Total energy: -1282.954269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1282.954269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1282.954269 (E_RNA)
where:
Base-Base interactions energy: -900.848
where: short stacking energy: -378.337
Base-Backbone interact. energy: -3.110
local terms energy: -378.996509
where:
bonds (distance) C4'-P energy: -65.522
bonds (distance) P-C4' energy: -71.363
flat angles C4'-P-C4' energy: -80.020
flat angles P-C4'-P energy: -51.806
tors. eta vs tors. theta energy: -110.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 275
Temperature: 1.050000
Total energy: -1180.054724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1180.054724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1180.054724 (E_RNA)
where:
Base-Base interactions energy: -796.746
where: short stacking energy: -335.537
Base-Backbone interact. energy: 1.751
local terms energy: -385.059537
where:
bonds (distance) C4'-P energy: -73.814
bonds (distance) P-C4' energy: -70.904
flat angles C4'-P-C4' energy: -79.235
flat angles P-C4'-P energy: -59.965
tors. eta vs tors. theta energy: -101.141
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: 8
=====================================
Write number: 275
Temperature: 1.100000
Total energy: -1138.046407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1138.046407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1138.046407 (E_RNA)
where:
Base-Base interactions energy: -761.982
where: short stacking energy: -341.556
Base-Backbone interact. energy: -1.832
local terms energy: -374.232602
where:
bonds (distance) C4'-P energy: -66.404
bonds (distance) P-C4' energy: -70.162
flat angles C4'-P-C4' energy: -81.864
flat angles P-C4'-P energy: -47.468
tors. eta vs tors. theta energy: -108.335
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: 6, replica: 4
=====================================
Write number: 275
Temperature: 1.150000
Total energy: -1064.162127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1064.162127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1064.162127 (E_RNA)
where:
Base-Base interactions energy: -718.262
where: short stacking energy: -308.164
Base-Backbone interact. energy: -2.037
local terms energy: -343.863652
where:
bonds (distance) C4'-P energy: -72.903
bonds (distance) P-C4' energy: -73.642
flat angles C4'-P-C4' energy: -83.175
flat angles P-C4'-P energy: -44.047
tors. eta vs tors. theta energy: -70.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 275
Temperature: 1.200000
Total energy: -803.180535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -803.180535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -803.180535 (E_RNA)
where:
Base-Base interactions energy: -517.662
where: short stacking energy: -243.853
Base-Backbone interact. energy: 2.431
local terms energy: -287.949662
where:
bonds (distance) C4'-P energy: -65.817
bonds (distance) P-C4' energy: -65.990
flat angles C4'-P-C4' energy: -60.620
flat angles P-C4'-P energy: -44.385
tors. eta vs tors. theta energy: -51.139
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: 8, replica: 10
=====================================
Write number: 275
Temperature: 1.250000
Total energy: -828.030300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -828.030300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -828.030300 (E_RNA)
where:
Base-Base interactions energy: -553.731
where: short stacking energy: -233.393
Base-Backbone interact. energy: 0.094
local terms energy: -274.392980
where:
bonds (distance) C4'-P energy: -56.898
bonds (distance) P-C4' energy: -64.977
flat angles C4'-P-C4' energy: -60.980
flat angles P-C4'-P energy: -41.867
tors. eta vs tors. theta energy: -49.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 275
Temperature: 1.300000
Total energy: -515.641888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.641888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.641888 (E_RNA)
where:
Base-Base interactions energy: -270.825
where: short stacking energy: -129.530
Base-Backbone interact. energy: -1.802
local terms energy: -243.014240
where:
bonds (distance) C4'-P energy: -75.773
bonds (distance) P-C4' energy: -66.183
flat angles C4'-P-C4' energy: -61.193
flat angles P-C4'-P energy: -39.115
tors. eta vs tors. theta energy: -0.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 275
Temperature: 1.350000
Total energy: -517.693551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.693551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.693551 (E_RNA)
where:
Base-Base interactions energy: -278.242
where: short stacking energy: -141.383
Base-Backbone interact. energy: 0.706
local terms energy: -240.157959
where:
bonds (distance) C4'-P energy: -54.912
bonds (distance) P-C4' energy: -74.709
flat angles C4'-P-C4' energy: -63.644
flat angles P-C4'-P energy: -39.381
tors. eta vs tors. theta energy: -7.512
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: 276
Temperature: 0.900000
Total energy: -1377.468085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1377.468085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1377.468085 (E_RNA)
where:
Base-Base interactions energy: -969.193
where: short stacking energy: -397.211
Base-Backbone interact. energy: 1.051
local terms energy: -409.326095
where:
bonds (distance) C4'-P energy: -75.687
bonds (distance) P-C4' energy: -85.398
flat angles C4'-P-C4' energy: -80.632
flat angles P-C4'-P energy: -58.658
tors. eta vs tors. theta energy: -108.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 276
Temperature: 0.950000
Total energy: -1343.283688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1343.283688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1343.283688 (E_RNA)
where:
Base-Base interactions energy: -920.393
where: short stacking energy: -389.870
Base-Backbone interact. energy: -2.228
local terms energy: -420.662632
where:
bonds (distance) C4'-P energy: -82.294
bonds (distance) P-C4' energy: -71.141
flat angles C4'-P-C4' energy: -87.324
flat angles P-C4'-P energy: -58.847
tors. eta vs tors. theta energy: -121.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 276
Temperature: 1.000000
Total energy: -1343.902861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1343.902861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1343.902861 (E_RNA)
where:
Base-Base interactions energy: -905.947
where: short stacking energy: -386.213
Base-Backbone interact. energy: -1.186
local terms energy: -436.769612
where:
bonds (distance) C4'-P energy: -76.133
bonds (distance) P-C4' energy: -82.788
flat angles C4'-P-C4' energy: -91.308
flat angles P-C4'-P energy: -61.055
tors. eta vs tors. theta energy: -125.486
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: 9
=====================================
Write number: 276
Temperature: 1.050000
Total energy: -1209.736514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1209.736514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1209.736514 (E_RNA)
where:
Base-Base interactions energy: -842.680
where: short stacking energy: -349.593
Base-Backbone interact. energy: -1.071
local terms energy: -365.986267
where:
bonds (distance) C4'-P energy: -63.098
bonds (distance) P-C4' energy: -75.068
flat angles C4'-P-C4' energy: -85.260
flat angles P-C4'-P energy: -52.162
tors. eta vs tors. theta energy: -90.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 276
Temperature: 1.100000
Total energy: -1048.306386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1048.306386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1048.306386 (E_RNA)
where:
Base-Base interactions energy: -734.402
where: short stacking energy: -309.427
Base-Backbone interact. energy: -3.901
local terms energy: -310.002772
where:
bonds (distance) C4'-P energy: -67.845
bonds (distance) P-C4' energy: -70.381
flat angles C4'-P-C4' energy: -62.778
flat angles P-C4'-P energy: -41.730
tors. eta vs tors. theta energy: -67.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 276
Temperature: 1.150000
Total energy: -1111.031128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1111.031128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1111.031128 (E_RNA)
where:
Base-Base interactions energy: -750.207
where: short stacking energy: -334.383
Base-Backbone interact. energy: -1.707
local terms energy: -359.117166
where:
bonds (distance) C4'-P energy: -67.338
bonds (distance) P-C4' energy: -67.459
flat angles C4'-P-C4' energy: -73.907
flat angles P-C4'-P energy: -56.411
tors. eta vs tors. theta energy: -94.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 276
Temperature: 1.200000
Total energy: -804.582150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -804.582150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -804.582150 (E_RNA)
where:
Base-Base interactions energy: -530.594
where: short stacking energy: -255.562
Base-Backbone interact. energy: -0.432
local terms energy: -273.555865
where:
bonds (distance) C4'-P energy: -55.405
bonds (distance) P-C4' energy: -45.843
flat angles C4'-P-C4' energy: -67.776
flat angles P-C4'-P energy: -51.825
tors. eta vs tors. theta energy: -52.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 276
Temperature: 1.250000
Total energy: -857.147171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -857.147171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -857.147171 (E_RNA)
where:
Base-Base interactions energy: -536.530
where: short stacking energy: -259.933
Base-Backbone interact. energy: -2.094
local terms energy: -318.523288
where:
bonds (distance) C4'-P energy: -73.366
bonds (distance) P-C4' energy: -61.613
flat angles C4'-P-C4' energy: -67.169
flat angles P-C4'-P energy: -49.195
tors. eta vs tors. theta energy: -67.180
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: 9, replica: 6
=====================================
Write number: 276
Temperature: 1.300000
Total energy: -519.050851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.050851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.050851 (E_RNA)
where:
Base-Base interactions energy: -294.677
where: short stacking energy: -164.874
Base-Backbone interact. energy: -1.947
local terms energy: -222.427005
where:
bonds (distance) C4'-P energy: -45.325
bonds (distance) P-C4' energy: -51.100
flat angles C4'-P-C4' energy: -60.849
flat angles P-C4'-P energy: -38.630
tors. eta vs tors. theta energy: -26.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 276
Temperature: 1.350000
Total energy: -541.476621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.476621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.476621 (E_RNA)
where:
Base-Base interactions energy: -317.354
where: short stacking energy: -168.054
Base-Backbone interact. energy: 0.452
local terms energy: -225.094817
where:
bonds (distance) C4'-P energy: -57.686
bonds (distance) P-C4' energy: -66.523
flat angles C4'-P-C4' energy: -55.505
flat angles P-C4'-P energy: -36.252
tors. eta vs tors. theta energy: -9.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.520 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 277
Temperature: 0.900000
Total energy: -1366.955504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1366.955504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1366.955504 (E_RNA)
where:
Base-Base interactions energy: -950.113
where: short stacking energy: -383.679
Base-Backbone interact. energy: -1.351
local terms energy: -415.490913
where:
bonds (distance) C4'-P energy: -78.397
bonds (distance) P-C4' energy: -83.725
flat angles C4'-P-C4' energy: -88.676
flat angles P-C4'-P energy: -58.032
tors. eta vs tors. theta energy: -106.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 277
Temperature: 0.950000
Total energy: -1347.911601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1347.911601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1347.911601 (E_RNA)
where:
Base-Base interactions energy: -924.138
where: short stacking energy: -390.748
Base-Backbone interact. energy: -0.331
local terms energy: -423.442053
where:
bonds (distance) C4'-P energy: -70.789
bonds (distance) P-C4' energy: -65.275
flat angles C4'-P-C4' energy: -94.532
flat angles P-C4'-P energy: -65.444
tors. eta vs tors. theta energy: -127.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 277
Temperature: 1.000000
Total energy: -1314.022599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1314.022599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1314.022599 (E_RNA)
where:
Base-Base interactions energy: -896.987
where: short stacking energy: -388.643
Base-Backbone interact. energy: -3.723
local terms energy: -413.312630
where:
bonds (distance) C4'-P energy: -73.509
bonds (distance) P-C4' energy: -71.191
flat angles C4'-P-C4' energy: -87.994
flat angles P-C4'-P energy: -58.708
tors. eta vs tors. theta energy: -121.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 277
Temperature: 1.050000
Total energy: -1187.938408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1187.938408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1187.938408 (E_RNA)
where:
Base-Base interactions energy: -812.923
where: short stacking energy: -327.186
Base-Backbone interact. energy: -1.953
local terms energy: -373.062392
where:
bonds (distance) C4'-P energy: -68.881
bonds (distance) P-C4' energy: -75.771
flat angles C4'-P-C4' energy: -83.200
flat angles P-C4'-P energy: -52.953
tors. eta vs tors. theta energy: -92.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 277
Temperature: 1.100000
Total energy: -1074.472465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1074.472465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1074.472465 (E_RNA)
where:
Base-Base interactions energy: -720.069
where: short stacking energy: -307.114
Base-Backbone interact. energy: -5.922
local terms energy: -348.481463
where:
bonds (distance) C4'-P energy: -62.970
bonds (distance) P-C4' energy: -72.926
flat angles C4'-P-C4' energy: -73.013
flat angles P-C4'-P energy: -65.019
tors. eta vs tors. theta energy: -74.555
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: 277
Temperature: 1.150000
Total energy: -1108.792587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1108.792587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1108.792587 (E_RNA)
where:
Base-Base interactions energy: -761.993
where: short stacking energy: -343.899
Base-Backbone interact. energy: 0.924
local terms energy: -347.723546
where:
bonds (distance) C4'-P energy: -67.918
bonds (distance) P-C4' energy: -58.664
flat angles C4'-P-C4' energy: -75.357
flat angles P-C4'-P energy: -55.267
tors. eta vs tors. theta energy: -90.518
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: 7, replica: 10
=====================================
Write number: 277
Temperature: 1.200000
Total energy: -812.234010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -812.234010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -812.234010 (E_RNA)
where:
Base-Base interactions energy: -499.779
where: short stacking energy: -219.210
Base-Backbone interact. energy: 0.425
local terms energy: -312.880822
where:
bonds (distance) C4'-P energy: -75.358
bonds (distance) P-C4' energy: -74.702
flat angles C4'-P-C4' energy: -70.074
flat angles P-C4'-P energy: -46.834
tors. eta vs tors. theta energy: -45.913
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: 8, replica: 1
=====================================
Write number: 277
Temperature: 1.250000
Total energy: -860.997838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -860.997838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -860.997838 (E_RNA)
where:
Base-Base interactions energy: -540.312
where: short stacking energy: -260.371
Base-Backbone interact. energy: -1.130
local terms energy: -319.555484
where:
bonds (distance) C4'-P energy: -67.684
bonds (distance) P-C4' energy: -72.700
flat angles C4'-P-C4' energy: -74.158
flat angles P-C4'-P energy: -42.243
tors. eta vs tors. theta energy: -62.771
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: 6
=====================================
Write number: 277
Temperature: 1.300000
Total energy: -556.326468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.326468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.326468 (E_RNA)
where:
Base-Base interactions energy: -307.679
where: short stacking energy: -162.504
Base-Backbone interact. energy: 3.214
local terms energy: -251.862127
where:
bonds (distance) C4'-P energy: -53.297
bonds (distance) P-C4' energy: -67.418
flat angles C4'-P-C4' energy: -70.165
flat angles P-C4'-P energy: -42.222
tors. eta vs tors. theta energy: -18.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 277
Temperature: 1.350000
Total energy: -538.956178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.956178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.956178 (E_RNA)
where:
Base-Base interactions energy: -299.784
where: short stacking energy: -174.757
Base-Backbone interact. energy: -1.881
local terms energy: -237.290591
where:
bonds (distance) C4'-P energy: -56.198
bonds (distance) P-C4' energy: -64.345
flat angles C4'-P-C4' energy: -59.498
flat angles P-C4'-P energy: -34.035
tors. eta vs tors. theta energy: -23.214
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: 3
=====================================
Write number: 278
Temperature: 0.900000
Total energy: -1363.146830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1363.146830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1363.146830 (E_RNA)
where:
Base-Base interactions energy: -938.209
where: short stacking energy: -400.696
Base-Backbone interact. energy: -1.827
local terms energy: -423.110220
where:
bonds (distance) C4'-P energy: -77.345
bonds (distance) P-C4' energy: -73.961
flat angles C4'-P-C4' energy: -92.035
flat angles P-C4'-P energy: -59.376
tors. eta vs tors. theta energy: -120.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 278
Temperature: 0.950000
Total energy: -1344.099150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1344.099150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1344.099150 (E_RNA)
where:
Base-Base interactions energy: -940.843
where: short stacking energy: -391.543
Base-Backbone interact. energy: -0.893
local terms energy: -402.362843
where:
bonds (distance) C4'-P energy: -64.479
bonds (distance) P-C4' energy: -77.635
flat angles C4'-P-C4' energy: -89.924
flat angles P-C4'-P energy: -56.717
tors. eta vs tors. theta energy: -113.608
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: 278
Temperature: 1.000000
Total energy: -1321.929148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1321.929148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1321.929148 (E_RNA)
where:
Base-Base interactions energy: -911.262
where: short stacking energy: -394.328
Base-Backbone interact. energy: -2.012
local terms energy: -408.654609
where:
bonds (distance) C4'-P energy: -76.069
bonds (distance) P-C4' energy: -68.970
flat angles C4'-P-C4' energy: -84.545
flat angles P-C4'-P energy: -61.366
tors. eta vs tors. theta energy: -117.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 278
Temperature: 1.050000
Total energy: -1159.260893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1159.260893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1159.260893 (E_RNA)
where:
Base-Base interactions energy: -788.433
where: short stacking energy: -341.713
Base-Backbone interact. energy: 0.815
local terms energy: -371.643334
where:
bonds (distance) C4'-P energy: -67.928
bonds (distance) P-C4' energy: -71.783
flat angles C4'-P-C4' energy: -81.227
flat angles P-C4'-P energy: -52.242
tors. eta vs tors. theta energy: -98.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 278
Temperature: 1.100000
Total energy: -1103.532271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1103.532271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1103.532271 (E_RNA)
where:
Base-Base interactions energy: -738.442
where: short stacking energy: -307.257
Base-Backbone interact. energy: -2.469
local terms energy: -362.620565
where:
bonds (distance) C4'-P energy: -72.310
bonds (distance) P-C4' energy: -76.194
flat angles C4'-P-C4' energy: -70.251
flat angles P-C4'-P energy: -59.775
tors. eta vs tors. theta energy: -84.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 278
Temperature: 1.150000
Total energy: -1083.828898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1083.828898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1083.828898 (E_RNA)
where:
Base-Base interactions energy: -727.941
where: short stacking energy: -321.178
Base-Backbone interact. energy: -1.242
local terms energy: -354.645367
where:
bonds (distance) C4'-P energy: -71.074
bonds (distance) P-C4' energy: -66.101
flat angles C4'-P-C4' energy: -80.402
flat angles P-C4'-P energy: -43.750
tors. eta vs tors. theta energy: -93.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 278
Temperature: 1.200000
Total energy: -871.279318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -871.279318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -871.279318 (E_RNA)
where:
Base-Base interactions energy: -573.861
where: short stacking energy: -276.933
Base-Backbone interact. energy: -0.065
local terms energy: -297.353562
where:
bonds (distance) C4'-P energy: -45.119
bonds (distance) P-C4' energy: -73.998
flat angles C4'-P-C4' energy: -67.173
flat angles P-C4'-P energy: -55.429
tors. eta vs tors. theta energy: -55.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 278
Temperature: 1.250000
Total energy: -830.534940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -830.534940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -830.534940 (E_RNA)
where:
Base-Base interactions energy: -535.341
where: short stacking energy: -230.712
Base-Backbone interact. energy: -3.373
local terms energy: -291.821158
where:
bonds (distance) C4'-P energy: -72.272
bonds (distance) P-C4' energy: -75.404
flat angles C4'-P-C4' energy: -63.203
flat angles P-C4'-P energy: -39.647
tors. eta vs tors. theta energy: -41.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 278
Temperature: 1.300000
Total energy: -587.281802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -587.281802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -587.281802 (E_RNA)
where:
Base-Base interactions energy: -325.828
where: short stacking energy: -163.623
Base-Backbone interact. energy: 0.666
local terms energy: -262.119370
where:
bonds (distance) C4'-P energy: -67.048
bonds (distance) P-C4' energy: -67.764
flat angles C4'-P-C4' energy: -63.707
flat angles P-C4'-P energy: -45.470
tors. eta vs tors. theta energy: -18.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 278
Temperature: 1.350000
Total energy: -565.323184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -565.323184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -565.323184 (E_RNA)
where:
Base-Base interactions energy: -341.934
where: short stacking energy: -179.458
Base-Backbone interact. energy: 2.348
local terms energy: -225.736595
where:
bonds (distance) C4'-P energy: -52.332
bonds (distance) P-C4' energy: -64.298
flat angles C4'-P-C4' energy: -55.503
flat angles P-C4'-P energy: -28.892
tors. eta vs tors. theta energy: -24.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 279
Temperature: 0.900000
Total energy: -1349.372329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1349.372329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1349.372329 (E_RNA)
where:
Base-Base interactions energy: -941.353
where: short stacking energy: -404.031
Base-Backbone interact. energy: -1.692
local terms energy: -406.326428
where:
bonds (distance) C4'-P energy: -69.730
bonds (distance) P-C4' energy: -72.511
flat angles C4'-P-C4' energy: -93.526
flat angles P-C4'-P energy: -55.009
tors. eta vs tors. theta energy: -115.551
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: 2, replica: 5
=====================================
Write number: 279
Temperature: 0.950000
Total energy: -1338.769774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1338.769774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1338.769774 (E_RNA)
where:
Base-Base interactions energy: -930.022
where: short stacking energy: -387.989
Base-Backbone interact. energy: 1.575
local terms energy: -410.323111
where:
bonds (distance) C4'-P energy: -84.155
bonds (distance) P-C4' energy: -84.199
flat angles C4'-P-C4' energy: -79.459
flat angles P-C4'-P energy: -54.292
tors. eta vs tors. theta energy: -108.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 279
Temperature: 1.000000
Total energy: -1307.338666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1307.338666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1307.338666 (E_RNA)
where:
Base-Base interactions energy: -917.992
where: short stacking energy: -384.915
Base-Backbone interact. energy: 1.325
local terms energy: -390.672125
where:
bonds (distance) C4'-P energy: -67.162
bonds (distance) P-C4' energy: -70.464
flat angles C4'-P-C4' energy: -78.896
flat angles P-C4'-P energy: -60.960
tors. eta vs tors. theta energy: -113.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 279
Temperature: 1.050000
Total energy: -1228.090258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1228.090258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1228.090258 (E_RNA)
where:
Base-Base interactions energy: -855.176
where: short stacking energy: -379.991
Base-Backbone interact. energy: 8.913
local terms energy: -381.827288
where:
bonds (distance) C4'-P energy: -66.950
bonds (distance) P-C4' energy: -73.887
flat angles C4'-P-C4' energy: -84.697
flat angles P-C4'-P energy: -59.506
tors. eta vs tors. theta energy: -96.788
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: 4
=====================================
Write number: 279
Temperature: 1.100000
Total energy: -1094.938672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1094.938672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1094.938672 (E_RNA)
where:
Base-Base interactions energy: -766.998
where: short stacking energy: -309.584
Base-Backbone interact. energy: -4.114
local terms energy: -323.826948
where:
bonds (distance) C4'-P energy: -66.813
bonds (distance) P-C4' energy: -64.029
flat angles C4'-P-C4' energy: -66.158
flat angles P-C4'-P energy: -55.995
tors. eta vs tors. theta energy: -70.832
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: 8
=====================================
Write number: 279
Temperature: 1.150000
Total energy: -995.867694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -995.867694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -995.867694 (E_RNA)
where:
Base-Base interactions energy: -662.525
where: short stacking energy: -297.530
Base-Backbone interact. energy: -0.238
local terms energy: -333.104459
where:
bonds (distance) C4'-P energy: -66.417
bonds (distance) P-C4' energy: -71.264
flat angles C4'-P-C4' energy: -66.829
flat angles P-C4'-P energy: -46.000
tors. eta vs tors. theta energy: -82.596
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: 7, replica: 1
=====================================
Write number: 279
Temperature: 1.200000
Total energy: -848.009319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -848.009319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -848.009319 (E_RNA)
where:
Base-Base interactions energy: -545.979
where: short stacking energy: -242.890
Base-Backbone interact. energy: 0.791
local terms energy: -302.822117
where:
bonds (distance) C4'-P energy: -69.288
bonds (distance) P-C4' energy: -72.686
flat angles C4'-P-C4' energy: -55.343
flat angles P-C4'-P energy: -44.398
tors. eta vs tors. theta energy: -61.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 279
Temperature: 1.250000
Total energy: -868.721429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -868.721429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -868.721429 (E_RNA)
where:
Base-Base interactions energy: -553.021
where: short stacking energy: -248.827
Base-Backbone interact. energy: -3.012
local terms energy: -312.688297
where:
bonds (distance) C4'-P energy: -68.402
bonds (distance) P-C4' energy: -64.882
flat angles C4'-P-C4' energy: -72.232
flat angles P-C4'-P energy: -39.006
tors. eta vs tors. theta energy: -68.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 279
Temperature: 1.300000
Total energy: -610.502246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -610.502246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -610.502246 (E_RNA)
where:
Base-Base interactions energy: -368.338
where: short stacking energy: -167.620
Base-Backbone interact. energy: -1.740
local terms energy: -240.423986
where:
bonds (distance) C4'-P energy: -61.329
bonds (distance) P-C4' energy: -75.017
flat angles C4'-P-C4' energy: -44.744
flat angles P-C4'-P energy: -30.927
tors. eta vs tors. theta energy: -28.407
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: 2
=====================================
Write number: 279
Temperature: 1.350000
Total energy: -515.599097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.599097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.599097 (E_RNA)
where:
Base-Base interactions energy: -298.790
where: short stacking energy: -147.372
Base-Backbone interact. energy: 5.078
local terms energy: -221.887047
where:
bonds (distance) C4'-P energy: -53.542
bonds (distance) P-C4' energy: -61.126
flat angles C4'-P-C4' energy: -52.878
flat angles P-C4'-P energy: -32.560
tors. eta vs tors. theta energy: -21.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 280
Temperature: 0.900000
Total energy: -1338.504299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1338.504299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1338.504299 (E_RNA)
where:
Base-Base interactions energy: -917.305
where: short stacking energy: -396.388
Base-Backbone interact. energy: -2.289
local terms energy: -418.909917
where:
bonds (distance) C4'-P energy: -78.133
bonds (distance) P-C4' energy: -71.198
flat angles C4'-P-C4' energy: -87.440
flat angles P-C4'-P energy: -65.014
tors. eta vs tors. theta energy: -117.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 280
Temperature: 0.950000
Total energy: -1336.107740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1336.107740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1336.107740 (E_RNA)
where:
Base-Base interactions energy: -897.684
where: short stacking energy: -383.922
Base-Backbone interact. energy: -1.344
local terms energy: -437.079544
where:
bonds (distance) C4'-P energy: -88.635
bonds (distance) P-C4' energy: -83.752
flat angles C4'-P-C4' energy: -88.386
flat angles P-C4'-P energy: -58.980
tors. eta vs tors. theta energy: -117.327
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: 3, replica: 7
=====================================
Write number: 280
Temperature: 1.000000
Total energy: -1317.350018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1317.350018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1317.350018 (E_RNA)
where:
Base-Base interactions energy: -912.928
where: short stacking energy: -394.188
Base-Backbone interact. energy: -1.433
local terms energy: -402.989027
where:
bonds (distance) C4'-P energy: -66.768
bonds (distance) P-C4' energy: -83.392
flat angles C4'-P-C4' energy: -81.785
flat angles P-C4'-P energy: -57.525
tors. eta vs tors. theta energy: -113.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 280
Temperature: 1.050000
Total energy: -1195.171004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1195.171004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1195.171004 (E_RNA)
where:
Base-Base interactions energy: -821.748
where: short stacking energy: -351.252
Base-Backbone interact. energy: 0.845
local terms energy: -374.267429
where:
bonds (distance) C4'-P energy: -55.340
bonds (distance) P-C4' energy: -82.324
flat angles C4'-P-C4' energy: -82.616
flat angles P-C4'-P energy: -50.799
tors. eta vs tors. theta energy: -103.188
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: 5, replica: 4
=====================================
Write number: 280
Temperature: 1.100000
Total energy: -1096.896428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1096.896428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1096.896428 (E_RNA)
where:
Base-Base interactions energy: -750.965
where: short stacking energy: -312.668
Base-Backbone interact. energy: -3.097
local terms energy: -342.833958
where:
bonds (distance) C4'-P energy: -60.471
bonds (distance) P-C4' energy: -67.490
flat angles C4'-P-C4' energy: -79.355
flat angles P-C4'-P energy: -56.974
tors. eta vs tors. theta energy: -78.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 280
Temperature: 1.150000
Total energy: -1034.546852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1034.546852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1034.546852 (E_RNA)
where:
Base-Base interactions energy: -677.733
where: short stacking energy: -304.706
Base-Backbone interact. energy: -0.218
local terms energy: -356.595611
where:
bonds (distance) C4'-P energy: -72.748
bonds (distance) P-C4' energy: -81.538
flat angles C4'-P-C4' energy: -74.200
flat angles P-C4'-P energy: -38.104
tors. eta vs tors. theta energy: -90.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 280
Temperature: 1.200000
Total energy: -907.137944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -907.137944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -907.137944 (E_RNA)
where:
Base-Base interactions energy: -594.677
where: short stacking energy: -272.822
Base-Backbone interact. energy: 0.241
local terms energy: -312.702441
where:
bonds (distance) C4'-P energy: -59.235
bonds (distance) P-C4' energy: -73.371
flat angles C4'-P-C4' energy: -65.288
flat angles P-C4'-P energy: -48.010
tors. eta vs tors. theta energy: -66.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 280
Temperature: 1.250000
Total energy: -832.199071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -832.199071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -832.199071 (E_RNA)
where:
Base-Base interactions energy: -547.739
where: short stacking energy: -260.418
Base-Backbone interact. energy: -1.800
local terms energy: -282.660022
where:
bonds (distance) C4'-P energy: -52.321
bonds (distance) P-C4' energy: -57.888
flat angles C4'-P-C4' energy: -67.020
flat angles P-C4'-P energy: -45.876
tors. eta vs tors. theta energy: -59.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 280
Temperature: 1.300000
Total energy: -590.326434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -590.326434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -590.326434 (E_RNA)
where:
Base-Base interactions energy: -343.090
where: short stacking energy: -142.710
Base-Backbone interact. energy: 6.005
local terms energy: -253.240769
where:
bonds (distance) C4'-P energy: -44.850
bonds (distance) P-C4' energy: -79.602
flat angles C4'-P-C4' energy: -68.105
flat angles P-C4'-P energy: -50.206
tors. eta vs tors. theta energy: -10.478
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: 2
=====================================
Write number: 280
Temperature: 1.350000
Total energy: -480.923992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.923992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.923992 (E_RNA)
where:
Base-Base interactions energy: -236.514
where: short stacking energy: -128.245
Base-Backbone interact. energy: -1.180
local terms energy: -243.230271
where:
bonds (distance) C4'-P energy: -71.588
bonds (distance) P-C4' energy: -69.893
flat angles C4'-P-C4' energy: -61.004
flat angles P-C4'-P energy: -37.983
tors. eta vs tors. theta energy: -2.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 281
Temperature: 0.900000
Total energy: -1347.252868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1347.252868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1347.252868 (E_RNA)
where:
Base-Base interactions energy: -925.339
where: short stacking energy: -394.200
Base-Backbone interact. energy: -2.801
local terms energy: -419.113255
where:
bonds (distance) C4'-P energy: -83.397
bonds (distance) P-C4' energy: -75.289
flat angles C4'-P-C4' energy: -77.465
flat angles P-C4'-P energy: -67.404
tors. eta vs tors. theta energy: -115.559
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: 7
=====================================
Write number: 281
Temperature: 0.950000
Total energy: -1340.765625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1340.765625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1340.765625 (E_RNA)
where:
Base-Base interactions energy: -931.312
where: short stacking energy: -400.108
Base-Backbone interact. energy: -0.901
local terms energy: -408.552317
where:
bonds (distance) C4'-P energy: -72.925
bonds (distance) P-C4' energy: -72.085
flat angles C4'-P-C4' energy: -88.541
flat angles P-C4'-P energy: -61.076
tors. eta vs tors. theta energy: -113.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 281
Temperature: 1.000000
Total energy: -1302.062374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1302.062374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1302.062374 (E_RNA)
where:
Base-Base interactions energy: -905.427
where: short stacking energy: -380.389
Base-Backbone interact. energy: -1.249
local terms energy: -395.386150
where:
bonds (distance) C4'-P energy: -76.432
bonds (distance) P-C4' energy: -72.481
flat angles C4'-P-C4' energy: -75.989
flat angles P-C4'-P energy: -60.041
tors. eta vs tors. theta energy: -110.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 281
Temperature: 1.050000
Total energy: -1184.744474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1184.744474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1184.744474 (E_RNA)
where:
Base-Base interactions energy: -822.045
where: short stacking energy: -352.095
Base-Backbone interact. energy: -1.430
local terms energy: -361.269271
where:
bonds (distance) C4'-P energy: -74.663
bonds (distance) P-C4' energy: -61.180
flat angles C4'-P-C4' energy: -90.300
flat angles P-C4'-P energy: -45.915
tors. eta vs tors. theta energy: -89.210
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: 4
=====================================
Write number: 281
Temperature: 1.100000
Total energy: -1083.613357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1083.613357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1083.613357 (E_RNA)
where:
Base-Base interactions energy: -746.589
where: short stacking energy: -313.645
Base-Backbone interact. energy: 8.384
local terms energy: -345.407698
where:
bonds (distance) C4'-P energy: -68.128
bonds (distance) P-C4' energy: -76.400
flat angles C4'-P-C4' energy: -73.830
flat angles P-C4'-P energy: -49.743
tors. eta vs tors. theta energy: -77.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 281
Temperature: 1.150000
Total energy: -1058.337091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1058.337091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1058.337091 (E_RNA)
where:
Base-Base interactions energy: -711.967
where: short stacking energy: -310.474
Base-Backbone interact. energy: 2.182
local terms energy: -348.552749
where:
bonds (distance) C4'-P energy: -68.995
bonds (distance) P-C4' energy: -74.503
flat angles C4'-P-C4' energy: -69.562
flat angles P-C4'-P energy: -48.871
tors. eta vs tors. theta energy: -86.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 281
Temperature: 1.200000
Total energy: -918.051523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -918.051523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -918.051523 (E_RNA)
where:
Base-Base interactions energy: -588.718
where: short stacking energy: -275.321
Base-Backbone interact. energy: 1.017
local terms energy: -330.350967
where:
bonds (distance) C4'-P energy: -65.111
bonds (distance) P-C4' energy: -81.749
flat angles C4'-P-C4' energy: -78.073
flat angles P-C4'-P energy: -46.758
tors. eta vs tors. theta energy: -58.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 281
Temperature: 1.250000
Total energy: -836.124449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -836.124449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -836.124449 (E_RNA)
where:
Base-Base interactions energy: -521.422
where: short stacking energy: -235.790
Base-Backbone interact. energy: -1.922
local terms energy: -312.781039
where:
bonds (distance) C4'-P energy: -62.758
bonds (distance) P-C4' energy: -79.904
flat angles C4'-P-C4' energy: -65.427
flat angles P-C4'-P energy: -48.971
tors. eta vs tors. theta energy: -55.720
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: 6
=====================================
Write number: 281
Temperature: 1.300000
Total energy: -548.569977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.569977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.569977 (E_RNA)
where:
Base-Base interactions energy: -299.449
where: short stacking energy: -148.263
Base-Backbone interact. energy: -1.589
local terms energy: -247.532210
where:
bonds (distance) C4'-P energy: -72.960
bonds (distance) P-C4' energy: -71.990
flat angles C4'-P-C4' energy: -52.889
flat angles P-C4'-P energy: -32.695
tors. eta vs tors. theta energy: -16.998
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: 2
=====================================
Write number: 281
Temperature: 1.350000
Total energy: -406.119172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.119172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.119172 (E_RNA)
where:
Base-Base interactions energy: -203.719
where: short stacking energy: -130.045
Base-Backbone interact. energy: 2.122
local terms energy: -204.522258
where:
bonds (distance) C4'-P energy: -63.685
bonds (distance) P-C4' energy: -53.892
flat angles C4'-P-C4' energy: -54.071
flat angles P-C4'-P energy: -17.485
tors. eta vs tors. theta energy: -15.390
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: 7
=====================================
Write number: 282
Temperature: 0.900000
Total energy: -1366.873195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1366.873195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1366.873195 (E_RNA)
where:
Base-Base interactions energy: -944.254
where: short stacking energy: -413.279
Base-Backbone interact. energy: -1.997
local terms energy: -420.621762
where:
bonds (distance) C4'-P energy: -74.498
bonds (distance) P-C4' energy: -75.749
flat angles C4'-P-C4' energy: -88.810
flat angles P-C4'-P energy: -59.343
tors. eta vs tors. theta energy: -122.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 282
Temperature: 0.950000
Total energy: -1306.125328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1306.125328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1306.125328 (E_RNA)
where:
Base-Base interactions energy: -892.795
where: short stacking energy: -393.870
Base-Backbone interact. energy: -1.808
local terms energy: -411.521996
where:
bonds (distance) C4'-P energy: -67.768
bonds (distance) P-C4' energy: -77.138
flat angles C4'-P-C4' energy: -84.358
flat angles P-C4'-P energy: -68.795
tors. eta vs tors. theta energy: -113.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 282
Temperature: 1.000000
Total energy: -1304.628167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1304.628167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1304.628167 (E_RNA)
where:
Base-Base interactions energy: -907.599
where: short stacking energy: -403.213
Base-Backbone interact. energy: -1.342
local terms energy: -395.687015
where:
bonds (distance) C4'-P energy: -66.469
bonds (distance) P-C4' energy: -70.689
flat angles C4'-P-C4' energy: -83.100
flat angles P-C4'-P energy: -54.575
tors. eta vs tors. theta energy: -120.854
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: 4, replica: 9
=====================================
Write number: 282
Temperature: 1.050000
Total energy: -1197.628910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1197.628910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1197.628910 (E_RNA)
where:
Base-Base interactions energy: -806.246
where: short stacking energy: -340.117
Base-Backbone interact. energy: 0.412
local terms energy: -391.794246
where:
bonds (distance) C4'-P energy: -86.651
bonds (distance) P-C4' energy: -79.441
flat angles C4'-P-C4' energy: -81.203
flat angles P-C4'-P energy: -49.650
tors. eta vs tors. theta energy: -94.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 282
Temperature: 1.100000
Total energy: -1066.513637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1066.513637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1066.513637 (E_RNA)
where:
Base-Base interactions energy: -722.991
where: short stacking energy: -333.146
Base-Backbone interact. energy: -1.003
local terms energy: -342.518948
where:
bonds (distance) C4'-P energy: -58.193
bonds (distance) P-C4' energy: -67.497
flat angles C4'-P-C4' energy: -81.698
flat angles P-C4'-P energy: -55.321
tors. eta vs tors. theta energy: -79.810
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: 6, replica: 4
=====================================
Write number: 282
Temperature: 1.150000
Total energy: -1024.485979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1024.485979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1024.485979 (E_RNA)
where:
Base-Base interactions energy: -702.310
where: short stacking energy: -302.464
Base-Backbone interact. energy: -0.349
local terms energy: -321.826610
where:
bonds (distance) C4'-P energy: -56.960
bonds (distance) P-C4' energy: -66.430
flat angles C4'-P-C4' energy: -69.983
flat angles P-C4'-P energy: -54.210
tors. eta vs tors. theta energy: -74.243
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: 7, replica: 10
=====================================
Write number: 282
Temperature: 1.200000
Total energy: -900.419080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -900.419080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -900.419080 (E_RNA)
where:
Base-Base interactions energy: -590.514
where: short stacking energy: -270.388
Base-Backbone interact. energy: -1.076
local terms energy: -308.829585
where:
bonds (distance) C4'-P energy: -64.852
bonds (distance) P-C4' energy: -75.492
flat angles C4'-P-C4' energy: -72.761
flat angles P-C4'-P energy: -35.219
tors. eta vs tors. theta energy: -60.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 282
Temperature: 1.250000
Total energy: -871.275339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -871.275339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -871.275339 (E_RNA)
where:
Base-Base interactions energy: -569.562
where: short stacking energy: -262.651
Base-Backbone interact. energy: -0.580
local terms energy: -301.132374
where:
bonds (distance) C4'-P energy: -54.861
bonds (distance) P-C4' energy: -61.054
flat angles C4'-P-C4' energy: -70.585
flat angles P-C4'-P energy: -48.261
tors. eta vs tors. theta energy: -66.371
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: 6
=====================================
Write number: 282
Temperature: 1.300000
Total energy: -557.566610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.566610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.566610 (E_RNA)
where:
Base-Base interactions energy: -321.954
where: short stacking energy: -171.183
Base-Backbone interact. energy: 2.612
local terms energy: -238.224680
where:
bonds (distance) C4'-P energy: -54.005
bonds (distance) P-C4' energy: -72.460
flat angles C4'-P-C4' energy: -46.334
flat angles P-C4'-P energy: -41.380
tors. eta vs tors. theta energy: -24.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 282
Temperature: 1.350000
Total energy: -408.682876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.682876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.682876 (E_RNA)
where:
Base-Base interactions energy: -213.939
where: short stacking energy: -133.812
Base-Backbone interact. energy: 2.506
local terms energy: -197.250466
where:
bonds (distance) C4'-P energy: -67.736
bonds (distance) P-C4' energy: -51.778
flat angles C4'-P-C4' energy: -51.720
flat angles P-C4'-P energy: -28.671
tors. eta vs tors. theta energy: 2.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 283
Temperature: 0.900000
Total energy: -1388.305503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1388.305503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1388.305503 (E_RNA)
where:
Base-Base interactions energy: -977.169
where: short stacking energy: -406.013
Base-Backbone interact. energy: -0.782
local terms energy: -410.354230
where:
bonds (distance) C4'-P energy: -83.322
bonds (distance) P-C4' energy: -66.920
flat angles C4'-P-C4' energy: -82.758
flat angles P-C4'-P energy: -55.050
tors. eta vs tors. theta energy: -122.304
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: 5
=====================================
Write number: 283
Temperature: 0.950000
Total energy: -1311.735920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1311.735920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1311.735920 (E_RNA)
where:
Base-Base interactions energy: -911.276
where: short stacking energy: -401.710
Base-Backbone interact. energy: -1.005
local terms energy: -399.455512
where:
bonds (distance) C4'-P energy: -71.622
bonds (distance) P-C4' energy: -76.936
flat angles C4'-P-C4' energy: -88.869
flat angles P-C4'-P energy: -47.361
tors. eta vs tors. theta energy: -114.668
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: 283
Temperature: 1.000000
Total energy: -1316.614769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1316.614769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1316.614769 (E_RNA)
where:
Base-Base interactions energy: -900.718
where: short stacking energy: -378.600
Base-Backbone interact. energy: -2.617
local terms energy: -413.279245
where:
bonds (distance) C4'-P energy: -72.486
bonds (distance) P-C4' energy: -76.428
flat angles C4'-P-C4' energy: -91.068
flat angles P-C4'-P energy: -55.854
tors. eta vs tors. theta energy: -117.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 283
Temperature: 1.050000
Total energy: -1176.100296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1176.100296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1176.100296 (E_RNA)
where:
Base-Base interactions energy: -800.342
where: short stacking energy: -340.365
Base-Backbone interact. energy: -0.515
local terms energy: -375.244145
where:
bonds (distance) C4'-P energy: -72.161
bonds (distance) P-C4' energy: -76.692
flat angles C4'-P-C4' energy: -78.546
flat angles P-C4'-P energy: -55.220
tors. eta vs tors. theta energy: -92.625
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: 8
=====================================
Write number: 283
Temperature: 1.100000
Total energy: -1028.939928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1028.939928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1028.939928 (E_RNA)
where:
Base-Base interactions energy: -690.053
where: short stacking energy: -286.561
Base-Backbone interact. energy: -2.326
local terms energy: -336.560755
where:
bonds (distance) C4'-P energy: -74.092
bonds (distance) P-C4' energy: -63.215
flat angles C4'-P-C4' energy: -81.192
flat angles P-C4'-P energy: -53.212
tors. eta vs tors. theta energy: -64.849
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: 4
=====================================
Write number: 283
Temperature: 1.150000
Total energy: -1019.800670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1019.800670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1019.800670 (E_RNA)
where:
Base-Base interactions energy: -707.054
where: short stacking energy: -299.532
Base-Backbone interact. energy: -2.990
local terms energy: -309.757154
where:
bonds (distance) C4'-P energy: -62.797
bonds (distance) P-C4' energy: -49.163
flat angles C4'-P-C4' energy: -73.547
flat angles P-C4'-P energy: -54.431
tors. eta vs tors. theta energy: -69.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 283
Temperature: 1.200000
Total energy: -901.243291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -901.243291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -901.243291 (E_RNA)
where:
Base-Base interactions energy: -580.150
where: short stacking energy: -269.062
Base-Backbone interact. energy: -2.314
local terms energy: -318.780175
where:
bonds (distance) C4'-P energy: -67.465
bonds (distance) P-C4' energy: -73.516
flat angles C4'-P-C4' energy: -70.812
flat angles P-C4'-P energy: -43.443
tors. eta vs tors. theta energy: -63.544
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: 1
=====================================
Write number: 283
Temperature: 1.250000
Total energy: -833.688525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -833.688525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -833.688525 (E_RNA)
where:
Base-Base interactions energy: -538.083
where: short stacking energy: -249.949
Base-Backbone interact. energy: -0.065
local terms energy: -295.540415
where:
bonds (distance) C4'-P energy: -65.024
bonds (distance) P-C4' energy: -70.610
flat angles C4'-P-C4' energy: -66.769
flat angles P-C4'-P energy: -45.352
tors. eta vs tors. theta energy: -47.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 283
Temperature: 1.300000
Total energy: -514.593641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.593641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.593641 (E_RNA)
where:
Base-Base interactions energy: -269.550
where: short stacking energy: -120.029
Base-Backbone interact. energy: -1.126
local terms energy: -243.916892
where:
bonds (distance) C4'-P energy: -61.739
bonds (distance) P-C4' energy: -73.543
flat angles C4'-P-C4' energy: -72.204
flat angles P-C4'-P energy: -39.214
tors. eta vs tors. theta energy: 2.783
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: 10, replica: 2
=====================================
Write number: 283
Temperature: 1.350000
Total energy: -449.486733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.486733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.486733 (E_RNA)
where:
Base-Base interactions energy: -219.910
where: short stacking energy: -120.105
Base-Backbone interact. energy: -1.744
local terms energy: -227.833465
where:
bonds (distance) C4'-P energy: -67.087
bonds (distance) P-C4' energy: -47.662
flat angles C4'-P-C4' energy: -61.500
flat angles P-C4'-P energy: -47.325
tors. eta vs tors. theta energy: -4.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 284
Temperature: 0.900000
Total energy: -1372.957540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1372.957540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1372.957540 (E_RNA)
where:
Base-Base interactions energy: -952.037
where: short stacking energy: -398.420
Base-Backbone interact. energy: -0.536
local terms energy: -420.384954
where:
bonds (distance) C4'-P energy: -76.548
bonds (distance) P-C4' energy: -83.438
flat angles C4'-P-C4' energy: -93.324
flat angles P-C4'-P energy: -54.585
tors. eta vs tors. theta energy: -112.489
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: 5
=====================================
Write number: 284
Temperature: 0.950000
Total energy: -1294.723892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1294.723892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1294.723892 (E_RNA)
where:
Base-Base interactions energy: -890.287
where: short stacking energy: -381.040
Base-Backbone interact. energy: -1.011
local terms energy: -403.425844
where:
bonds (distance) C4'-P energy: -74.003
bonds (distance) P-C4' energy: -74.891
flat angles C4'-P-C4' energy: -85.941
flat angles P-C4'-P energy: -58.555
tors. eta vs tors. theta energy: -110.035
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: 284
Temperature: 1.000000
Total energy: -1281.495141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1281.495141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1281.495141 (E_RNA)
where:
Base-Base interactions energy: -883.835
where: short stacking energy: -381.626
Base-Backbone interact. energy: -1.949
local terms energy: -395.711417
where:
bonds (distance) C4'-P energy: -77.865
bonds (distance) P-C4' energy: -75.002
flat angles C4'-P-C4' energy: -82.830
flat angles P-C4'-P energy: -51.652
tors. eta vs tors. theta energy: -108.361
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: 4, replica: 9
=====================================
Write number: 284
Temperature: 1.050000
Total energy: -1194.747930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1194.747930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1194.747930 (E_RNA)
where:
Base-Base interactions energy: -823.782
where: short stacking energy: -346.568
Base-Backbone interact. energy: 0.912
local terms energy: -371.877181
where:
bonds (distance) C4'-P energy: -73.398
bonds (distance) P-C4' energy: -74.205
flat angles C4'-P-C4' energy: -76.205
flat angles P-C4'-P energy: -50.739
tors. eta vs tors. theta energy: -97.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 284
Temperature: 1.100000
Total energy: -1055.996495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1055.996495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1055.996495 (E_RNA)
where:
Base-Base interactions energy: -702.431
where: short stacking energy: -325.118
Base-Backbone interact. energy: 1.336
local terms energy: -354.901773
where:
bonds (distance) C4'-P energy: -60.165
bonds (distance) P-C4' energy: -70.101
flat angles C4'-P-C4' energy: -78.004
flat angles P-C4'-P energy: -56.593
tors. eta vs tors. theta energy: -90.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 284
Temperature: 1.150000
Total energy: -1047.233742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1047.233742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1047.233742 (E_RNA)
where:
Base-Base interactions energy: -728.638
where: short stacking energy: -292.276
Base-Backbone interact. energy: -2.703
local terms energy: -315.893207
where:
bonds (distance) C4'-P energy: -67.233
bonds (distance) P-C4' energy: -62.737
flat angles C4'-P-C4' energy: -66.168
flat angles P-C4'-P energy: -50.349
tors. eta vs tors. theta energy: -69.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 284
Temperature: 1.200000
Total energy: -908.404384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -908.404384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -908.404384 (E_RNA)
where:
Base-Base interactions energy: -609.206
where: short stacking energy: -292.177
Base-Backbone interact. energy: -1.072
local terms energy: -298.126925
where:
bonds (distance) C4'-P energy: -58.993
bonds (distance) P-C4' energy: -54.475
flat angles C4'-P-C4' energy: -68.759
flat angles P-C4'-P energy: -52.177
tors. eta vs tors. theta energy: -63.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 284
Temperature: 1.250000
Total energy: -824.868286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -824.868286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -824.868286 (E_RNA)
where:
Base-Base interactions energy: -551.475
where: short stacking energy: -219.298
Base-Backbone interact. energy: -1.453
local terms energy: -271.940091
where:
bonds (distance) C4'-P energy: -67.575
bonds (distance) P-C4' energy: -62.523
flat angles C4'-P-C4' energy: -62.165
flat angles P-C4'-P energy: -41.170
tors. eta vs tors. theta energy: -38.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 284
Temperature: 1.300000
Total energy: -498.712860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.712860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.712860 (E_RNA)
where:
Base-Base interactions energy: -232.902
where: short stacking energy: -119.459
Base-Backbone interact. energy: 4.345
local terms energy: -270.155149
where:
bonds (distance) C4'-P energy: -83.251
bonds (distance) P-C4' energy: -77.908
flat angles C4'-P-C4' energy: -62.196
flat angles P-C4'-P energy: -31.231
tors. eta vs tors. theta energy: -15.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 284
Temperature: 1.350000
Total energy: -399.997114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.997114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.997114 (E_RNA)
where:
Base-Base interactions energy: -186.657
where: short stacking energy: -97.778
Base-Backbone interact. energy: 3.425
local terms energy: -216.765604
where:
bonds (distance) C4'-P energy: -58.667
bonds (distance) P-C4' energy: -66.773
flat angles C4'-P-C4' energy: -65.680
flat angles P-C4'-P energy: -33.811
tors. eta vs tors. theta energy: 8.166
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: 1, replica: 7
=====================================
Write number: 285
Temperature: 0.900000
Total energy: -1388.283396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1388.283396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1388.283396 (E_RNA)
where:
Base-Base interactions energy: -961.176
where: short stacking energy: -391.040
Base-Backbone interact. energy: -1.339
local terms energy: -427.177375
where:
bonds (distance) C4'-P energy: -77.900
bonds (distance) P-C4' energy: -87.124
flat angles C4'-P-C4' energy: -84.669
flat angles P-C4'-P energy: -63.691
tors. eta vs tors. theta energy: -113.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.409 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 285
Temperature: 0.950000
Total energy: -1327.923247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1327.923247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1327.923247 (E_RNA)
where:
Base-Base interactions energy: -924.037
where: short stacking energy: -390.870
Base-Backbone interact. energy: -1.876
local terms energy: -402.010988
where:
bonds (distance) C4'-P energy: -74.317
bonds (distance) P-C4' energy: -78.541
flat angles C4'-P-C4' energy: -85.477
flat angles P-C4'-P energy: -45.578
tors. eta vs tors. theta energy: -118.098
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: 5
=====================================
Write number: 285
Temperature: 1.000000
Total energy: -1273.158046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1273.158046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1273.158046 (E_RNA)
where:
Base-Base interactions energy: -887.227
where: short stacking energy: -377.322
Base-Backbone interact. energy: -0.984
local terms energy: -384.946499
where:
bonds (distance) C4'-P energy: -66.737
bonds (distance) P-C4' energy: -60.923
flat angles C4'-P-C4' energy: -79.872
flat angles P-C4'-P energy: -57.431
tors. eta vs tors. theta energy: -119.984
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: 4, replica: 9
=====================================
Write number: 285
Temperature: 1.050000
Total energy: -1204.760590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1204.760590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1204.760590 (E_RNA)
where:
Base-Base interactions energy: -815.470
where: short stacking energy: -363.174
Base-Backbone interact. energy: -1.441
local terms energy: -387.849537
where:
bonds (distance) C4'-P energy: -77.803
bonds (distance) P-C4' energy: -81.573
flat angles C4'-P-C4' energy: -76.478
flat angles P-C4'-P energy: -54.430
tors. eta vs tors. theta energy: -97.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 285
Temperature: 1.100000
Total energy: -1039.220271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1039.220271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1039.220271 (E_RNA)
where:
Base-Base interactions energy: -695.102
where: short stacking energy: -306.246
Base-Backbone interact. energy: -0.567
local terms energy: -343.551487
where:
bonds (distance) C4'-P energy: -55.963
bonds (distance) P-C4' energy: -78.004
flat angles C4'-P-C4' energy: -73.651
flat angles P-C4'-P energy: -54.833
tors. eta vs tors. theta energy: -81.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 285
Temperature: 1.150000
Total energy: -1038.850931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1038.850931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1038.850931 (E_RNA)
where:
Base-Base interactions energy: -707.543
where: short stacking energy: -303.037
Base-Backbone interact. energy: -0.235
local terms energy: -331.072824
where:
bonds (distance) C4'-P energy: -64.977
bonds (distance) P-C4' energy: -76.487
flat angles C4'-P-C4' energy: -68.208
flat angles P-C4'-P energy: -45.359
tors. eta vs tors. theta energy: -76.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 285
Temperature: 1.200000
Total energy: -887.492948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -887.492948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -887.492948 (E_RNA)
where:
Base-Base interactions energy: -600.714
where: short stacking energy: -274.059
Base-Backbone interact. energy: -0.555
local terms energy: -286.224204
where:
bonds (distance) C4'-P energy: -63.913
bonds (distance) P-C4' energy: -53.495
flat angles C4'-P-C4' energy: -67.340
flat angles P-C4'-P energy: -40.262
tors. eta vs tors. theta energy: -61.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 285
Temperature: 1.250000
Total energy: -849.785508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -849.785508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -849.785508 (E_RNA)
where:
Base-Base interactions energy: -564.855
where: short stacking energy: -267.916
Base-Backbone interact. energy: -1.546
local terms energy: -283.384610
where:
bonds (distance) C4'-P energy: -54.740
bonds (distance) P-C4' energy: -68.832
flat angles C4'-P-C4' energy: -68.115
flat angles P-C4'-P energy: -43.912
tors. eta vs tors. theta energy: -47.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 285
Temperature: 1.300000
Total energy: -504.828695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.828695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.828695 (E_RNA)
where:
Base-Base interactions energy: -263.269
where: short stacking energy: -129.533
Base-Backbone interact. energy: 1.207
local terms energy: -242.766665
where:
bonds (distance) C4'-P energy: -62.575
bonds (distance) P-C4' energy: -76.301
flat angles C4'-P-C4' energy: -61.724
flat angles P-C4'-P energy: -33.829
tors. eta vs tors. theta energy: -8.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 285
Temperature: 1.350000
Total energy: -393.821745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.821745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.821745 (E_RNA)
where:
Base-Base interactions energy: -175.538
where: short stacking energy: -98.496
Base-Backbone interact. energy: -0.609
local terms energy: -217.675274
where:
bonds (distance) C4'-P energy: -70.891
bonds (distance) P-C4' energy: -64.616
flat angles C4'-P-C4' energy: -58.086
flat angles P-C4'-P energy: -30.746
tors. eta vs tors. theta energy: 6.664
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: 1, replica: 7
=====================================
Write number: 286
Temperature: 0.900000
Total energy: -1386.342538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1386.342538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1386.342538 (E_RNA)
where:
Base-Base interactions energy: -955.891
where: short stacking energy: -387.851
Base-Backbone interact. energy: -0.405
local terms energy: -430.046855
where:
bonds (distance) C4'-P energy: -75.029
bonds (distance) P-C4' energy: -83.313
flat angles C4'-P-C4' energy: -91.949
flat angles P-C4'-P energy: -64.885
tors. eta vs tors. theta energy: -114.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 286
Temperature: 0.950000
Total energy: -1305.440507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1305.440507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1305.440507 (E_RNA)
where:
Base-Base interactions energy: -902.080
where: short stacking energy: -375.013
Base-Backbone interact. energy: -3.090
local terms energy: -400.269870
where:
bonds (distance) C4'-P energy: -76.912
bonds (distance) P-C4' energy: -83.162
flat angles C4'-P-C4' energy: -84.349
flat angles P-C4'-P energy: -39.067
tors. eta vs tors. theta energy: -116.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 286
Temperature: 1.000000
Total energy: -1276.800897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1276.800897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1276.800897 (E_RNA)
where:
Base-Base interactions energy: -887.534
where: short stacking energy: -381.887
Base-Backbone interact. energy: 0.432
local terms energy: -389.698224
where:
bonds (distance) C4'-P energy: -63.278
bonds (distance) P-C4' energy: -73.951
flat angles C4'-P-C4' energy: -87.127
flat angles P-C4'-P energy: -54.878
tors. eta vs tors. theta energy: -110.465
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: 9
=====================================
Write number: 286
Temperature: 1.050000
Total energy: -1185.177335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1185.177335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1185.177335 (E_RNA)
where:
Base-Base interactions energy: -811.089
where: short stacking energy: -341.067
Base-Backbone interact. energy: -0.351
local terms energy: -373.737420
where:
bonds (distance) C4'-P energy: -75.777
bonds (distance) P-C4' energy: -74.304
flat angles C4'-P-C4' energy: -87.065
flat angles P-C4'-P energy: -42.656
tors. eta vs tors. theta energy: -93.935
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: 8
=====================================
Write number: 286
Temperature: 1.100000
Total energy: -1053.707660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1053.707660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1053.707660 (E_RNA)
where:
Base-Base interactions energy: -694.134
where: short stacking energy: -300.107
Base-Backbone interact. energy: 0.396
local terms energy: -359.969820
where:
bonds (distance) C4'-P energy: -76.219
bonds (distance) P-C4' energy: -59.585
flat angles C4'-P-C4' energy: -88.142
flat angles P-C4'-P energy: -52.895
tors. eta vs tors. theta energy: -83.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 286
Temperature: 1.150000
Total energy: -1034.503801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1034.503801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1034.503801 (E_RNA)
where:
Base-Base interactions energy: -712.952
where: short stacking energy: -303.968
Base-Backbone interact. energy: 2.071
local terms energy: -323.623136
where:
bonds (distance) C4'-P energy: -54.661
bonds (distance) P-C4' energy: -77.943
flat angles C4'-P-C4' energy: -75.655
flat angles P-C4'-P energy: -45.943
tors. eta vs tors. theta energy: -69.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 286
Temperature: 1.200000
Total energy: -877.719124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -877.719124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -877.719124 (E_RNA)
where:
Base-Base interactions energy: -566.427
where: short stacking energy: -296.860
Base-Backbone interact. energy: -0.988
local terms energy: -310.304871
where:
bonds (distance) C4'-P energy: -65.499
bonds (distance) P-C4' energy: -57.735
flat angles C4'-P-C4' energy: -67.617
flat angles P-C4'-P energy: -48.479
tors. eta vs tors. theta energy: -70.975
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: 8, replica: 10
=====================================
Write number: 286
Temperature: 1.250000
Total energy: -835.467942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -835.467942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -835.467942 (E_RNA)
where:
Base-Base interactions energy: -552.494
where: short stacking energy: -242.734
Base-Backbone interact. energy: 0.350
local terms energy: -283.323662
where:
bonds (distance) C4'-P energy: -62.974
bonds (distance) P-C4' energy: -64.458
flat angles C4'-P-C4' energy: -70.376
flat angles P-C4'-P energy: -37.050
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: 6
=====================================
Write number: 286
Temperature: 1.300000
Total energy: -562.151873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -562.151873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -562.151873 (E_RNA)
where:
Base-Base interactions energy: -331.550
where: short stacking energy: -166.194
Base-Backbone interact. energy: 4.209
local terms energy: -234.811245
where:
bonds (distance) C4'-P energy: -56.167
bonds (distance) P-C4' energy: -61.043
flat angles C4'-P-C4' energy: -63.802
flat angles P-C4'-P energy: -30.478
tors. eta vs tors. theta energy: -23.321
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: 2
=====================================
Write number: 286
Temperature: 1.350000
Total energy: -452.106778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.106778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.106778 (E_RNA)
where:
Base-Base interactions energy: -236.504
where: short stacking energy: -111.902
Base-Backbone interact. energy: 0.604
local terms energy: -216.207081
where:
bonds (distance) C4'-P energy: -56.005
bonds (distance) P-C4' energy: -69.950
flat angles C4'-P-C4' energy: -57.105
flat angles P-C4'-P energy: -29.581
tors. eta vs tors. theta energy: -3.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 287
Temperature: 0.900000
Total energy: -1402.517458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1402.517458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1402.517458 (E_RNA)
where:
Base-Base interactions energy: -980.408
where: short stacking energy: -420.984
Base-Backbone interact. energy: -1.098
local terms energy: -421.011753
where:
bonds (distance) C4'-P energy: -77.189
bonds (distance) P-C4' energy: -75.189
flat angles C4'-P-C4' energy: -91.468
flat angles P-C4'-P energy: -58.475
tors. eta vs tors. theta energy: -118.692
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: 3
=====================================
Write number: 287
Temperature: 0.950000
Total energy: -1310.253476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1310.253476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1310.253476 (E_RNA)
where:
Base-Base interactions energy: -904.257
where: short stacking energy: -398.971
Base-Backbone interact. energy: -2.805
local terms energy: -403.190693
where:
bonds (distance) C4'-P energy: -63.133
bonds (distance) P-C4' energy: -75.344
flat angles C4'-P-C4' energy: -86.406
flat angles P-C4'-P energy: -65.654
tors. eta vs tors. theta energy: -112.654
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: 5
=====================================
Write number: 287
Temperature: 1.000000
Total energy: -1273.716035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1273.716035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1273.716035 (E_RNA)
where:
Base-Base interactions energy: -878.750
where: short stacking energy: -376.128
Base-Backbone interact. energy: -2.137
local terms energy: -392.829971
where:
bonds (distance) C4'-P energy: -63.467
bonds (distance) P-C4' energy: -67.270
flat angles C4'-P-C4' energy: -91.068
flat angles P-C4'-P energy: -55.404
tors. eta vs tors. theta energy: -115.621
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: 9
=====================================
Write number: 287
Temperature: 1.050000
Total energy: -1221.371296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1221.371296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1221.371296 (E_RNA)
where:
Base-Base interactions energy: -850.961
where: short stacking energy: -369.006
Base-Backbone interact. energy: 0.881
local terms energy: -371.290697
where:
bonds (distance) C4'-P energy: -73.234
bonds (distance) P-C4' energy: -71.039
flat angles C4'-P-C4' energy: -79.231
flat angles P-C4'-P energy: -44.209
tors. eta vs tors. theta energy: -103.577
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: 5, replica: 8
=====================================
Write number: 287
Temperature: 1.100000
Total energy: -1003.705001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1003.705001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1003.705001 (E_RNA)
where:
Base-Base interactions energy: -651.711
where: short stacking energy: -290.548
Base-Backbone interact. energy: -1.230
local terms energy: -350.763883
where:
bonds (distance) C4'-P energy: -61.555
bonds (distance) P-C4' energy: -74.455
flat angles C4'-P-C4' energy: -75.843
flat angles P-C4'-P energy: -60.943
tors. eta vs tors. theta energy: -77.969
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: 4
=====================================
Write number: 287
Temperature: 1.150000
Total energy: -983.424437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -983.424437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -983.424437 (E_RNA)
where:
Base-Base interactions energy: -665.056
where: short stacking energy: -264.590
Base-Backbone interact. energy: -0.971
local terms energy: -317.397658
where:
bonds (distance) C4'-P energy: -59.818
bonds (distance) P-C4' energy: -71.660
flat angles C4'-P-C4' energy: -78.703
flat angles P-C4'-P energy: -47.344
tors. eta vs tors. theta energy: -59.872
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: 1
=====================================
Write number: 287
Temperature: 1.200000
Total energy: -885.563588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -885.563588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -885.563588 (E_RNA)
where:
Base-Base interactions energy: -561.348
where: short stacking energy: -258.155
Base-Backbone interact. energy: -1.910
local terms energy: -322.305528
where:
bonds (distance) C4'-P energy: -69.163
bonds (distance) P-C4' energy: -72.730
flat angles C4'-P-C4' energy: -64.470
flat angles P-C4'-P energy: -58.459
tors. eta vs tors. theta energy: -57.483
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: 10
=====================================
Write number: 287
Temperature: 1.250000
Total energy: -852.606408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -852.606408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -852.606408 (E_RNA)
where:
Base-Base interactions energy: -570.253
where: short stacking energy: -249.436
Base-Backbone interact. energy: -1.035
local terms energy: -281.318687
where:
bonds (distance) C4'-P energy: -54.311
bonds (distance) P-C4' energy: -64.946
flat angles C4'-P-C4' energy: -68.400
flat angles P-C4'-P energy: -49.336
tors. eta vs tors. theta energy: -44.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 287
Temperature: 1.300000
Total energy: -588.379549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -588.379549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -588.379549 (E_RNA)
where:
Base-Base interactions energy: -330.242
where: short stacking energy: -172.467
Base-Backbone interact. energy: -1.276
local terms energy: -256.861572
where:
bonds (distance) C4'-P energy: -66.615
bonds (distance) P-C4' energy: -80.871
flat angles C4'-P-C4' energy: -49.929
flat angles P-C4'-P energy: -44.332
tors. eta vs tors. theta energy: -15.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 287
Temperature: 1.350000
Total energy: -422.798013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.798013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.798013 (E_RNA)
where:
Base-Base interactions energy: -226.332
where: short stacking energy: -122.533
Base-Backbone interact. energy: -1.818
local terms energy: -194.648372
where:
bonds (distance) C4'-P energy: -64.316
bonds (distance) P-C4' energy: -54.463
flat angles C4'-P-C4' energy: -31.712
flat angles P-C4'-P energy: -30.086
tors. eta vs tors. theta energy: -14.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 288
Temperature: 0.900000
Total energy: -1378.087068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1378.087068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1378.087068 (E_RNA)
where:
Base-Base interactions energy: -951.808
where: short stacking energy: -406.645
Base-Backbone interact. energy: -1.070
local terms energy: -425.208993
where:
bonds (distance) C4'-P energy: -81.560
bonds (distance) P-C4' energy: -77.391
flat angles C4'-P-C4' energy: -81.493
flat angles P-C4'-P energy: -63.610
tors. eta vs tors. theta energy: -121.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 288
Temperature: 0.950000
Total energy: -1319.256934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1319.256934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1319.256934 (E_RNA)
where:
Base-Base interactions energy: -901.463
where: short stacking energy: -391.177
Base-Backbone interact. energy: -3.255
local terms energy: -414.539032
where:
bonds (distance) C4'-P energy: -74.822
bonds (distance) P-C4' energy: -75.420
flat angles C4'-P-C4' energy: -89.178
flat angles P-C4'-P energy: -63.014
tors. eta vs tors. theta energy: -112.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 288
Temperature: 1.000000
Total energy: -1276.096598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1276.096598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1276.096598 (E_RNA)
where:
Base-Base interactions energy: -871.500
where: short stacking energy: -381.561
Base-Backbone interact. energy: -3.895
local terms energy: -400.701761
where:
bonds (distance) C4'-P energy: -68.659
bonds (distance) P-C4' energy: -74.672
flat angles C4'-P-C4' energy: -87.913
flat angles P-C4'-P energy: -56.181
tors. eta vs tors. theta energy: -113.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 288
Temperature: 1.050000
Total energy: -1233.360725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1233.360725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1233.360725 (E_RNA)
where:
Base-Base interactions energy: -855.242
where: short stacking energy: -368.881
Base-Backbone interact. energy: -1.384
local terms energy: -376.734903
where:
bonds (distance) C4'-P energy: -68.586
bonds (distance) P-C4' energy: -78.581
flat angles C4'-P-C4' energy: -78.684
flat angles P-C4'-P energy: -47.529
tors. eta vs tors. theta energy: -103.356
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: 4
=====================================
Write number: 288
Temperature: 1.100000
Total energy: -1092.495896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1092.495896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1092.495896 (E_RNA)
where:
Base-Base interactions energy: -754.875
where: short stacking energy: -320.515
Base-Backbone interact. energy: -2.079
local terms energy: -335.541967
where:
bonds (distance) C4'-P energy: -73.116
bonds (distance) P-C4' energy: -67.111
flat angles C4'-P-C4' energy: -66.710
flat angles P-C4'-P energy: -51.794
tors. eta vs tors. theta energy: -76.810
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: 6, replica: 8
=====================================
Write number: 288
Temperature: 1.150000
Total energy: -999.291709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -999.291709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -999.291709 (E_RNA)
where:
Base-Base interactions energy: -666.710
where: short stacking energy: -294.427
Base-Backbone interact. energy: -1.196
local terms energy: -331.386001
where:
bonds (distance) C4'-P energy: -75.790
bonds (distance) P-C4' energy: -67.556
flat angles C4'-P-C4' energy: -65.660
flat angles P-C4'-P energy: -51.252
tors. eta vs tors. theta energy: -71.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 288
Temperature: 1.200000
Total energy: -965.244526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -965.244526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -965.244526 (E_RNA)
where:
Base-Base interactions energy: -646.911
where: short stacking energy: -281.122
Base-Backbone interact. energy: 4.521
local terms energy: -322.854106
where:
bonds (distance) C4'-P energy: -71.638
bonds (distance) P-C4' energy: -76.858
flat angles C4'-P-C4' energy: -71.104
flat angles P-C4'-P energy: -45.028
tors. eta vs tors. theta energy: -58.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 288
Temperature: 1.250000
Total energy: -913.994478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -913.994478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -913.994478 (E_RNA)
where:
Base-Base interactions energy: -590.204
where: short stacking energy: -270.310
Base-Backbone interact. energy: -0.683
local terms energy: -323.107454
where:
bonds (distance) C4'-P energy: -75.702
bonds (distance) P-C4' energy: -73.966
flat angles C4'-P-C4' energy: -67.161
flat angles P-C4'-P energy: -38.409
tors. eta vs tors. theta energy: -67.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 288
Temperature: 1.300000
Total energy: -580.807040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -580.807040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -580.807040 (E_RNA)
where:
Base-Base interactions energy: -329.898
where: short stacking energy: -174.968
Base-Backbone interact. energy: 1.089
local terms energy: -251.998343
where:
bonds (distance) C4'-P energy: -36.990
bonds (distance) P-C4' energy: -79.621
flat angles C4'-P-C4' energy: -67.222
flat angles P-C4'-P energy: -40.657
tors. eta vs tors. theta energy: -27.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 288
Temperature: 1.350000
Total energy: -445.789794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -445.789794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -445.789794 (E_RNA)
where:
Base-Base interactions energy: -213.214
where: short stacking energy: -121.815
Base-Backbone interact. energy: -0.857
local terms energy: -231.717921
where:
bonds (distance) C4'-P energy: -65.357
bonds (distance) P-C4' energy: -68.346
flat angles C4'-P-C4' energy: -53.754
flat angles P-C4'-P energy: -38.879
tors. eta vs tors. theta energy: -5.383
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: 1, replica: 7
=====================================
Write number: 289
Temperature: 0.900000
Total energy: -1376.407885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1376.407885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1376.407885 (E_RNA)
where:
Base-Base interactions energy: -953.450
where: short stacking energy: -431.106
Base-Backbone interact. energy: -1.014
local terms energy: -421.944183
where:
bonds (distance) C4'-P energy: -80.084
bonds (distance) P-C4' energy: -78.752
flat angles C4'-P-C4' energy: -91.094
flat angles P-C4'-P energy: -52.655
tors. eta vs tors. theta energy: -119.358
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: 2, replica: 5
=====================================
Write number: 289
Temperature: 0.950000
Total energy: -1322.164181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1322.164181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1322.164181 (E_RNA)
where:
Base-Base interactions energy: -910.367
where: short stacking energy: -415.886
Base-Backbone interact. energy: -2.932
local terms energy: -408.864833
where:
bonds (distance) C4'-P energy: -69.982
bonds (distance) P-C4' energy: -71.908
flat angles C4'-P-C4' energy: -89.355
flat angles P-C4'-P energy: -52.416
tors. eta vs tors. theta energy: -125.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 289
Temperature: 1.000000
Total energy: -1286.574306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1286.574306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1286.574306 (E_RNA)
where:
Base-Base interactions energy: -886.698
where: short stacking energy: -380.789
Base-Backbone interact. energy: -2.877
local terms energy: -396.999544
where:
bonds (distance) C4'-P energy: -70.974
bonds (distance) P-C4' energy: -79.291
flat angles C4'-P-C4' energy: -78.128
flat angles P-C4'-P energy: -48.548
tors. eta vs tors. theta energy: -120.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 289
Temperature: 1.050000
Total energy: -1221.980282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1221.980282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1221.980282 (E_RNA)
where:
Base-Base interactions energy: -838.025
where: short stacking energy: -348.166
Base-Backbone interact. energy: -0.656
local terms energy: -383.299959
where:
bonds (distance) C4'-P energy: -70.208
bonds (distance) P-C4' energy: -74.552
flat angles C4'-P-C4' energy: -86.427
flat angles P-C4'-P energy: -54.220
tors. eta vs tors. theta energy: -97.894
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: 4
=====================================
Write number: 289
Temperature: 1.100000
Total energy: -1095.762098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1095.762098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1095.762098 (E_RNA)
where:
Base-Base interactions energy: -774.224
where: short stacking energy: -316.393
Base-Backbone interact. energy: 1.235
local terms energy: -322.773262
where:
bonds (distance) C4'-P energy: -67.428
bonds (distance) P-C4' energy: -69.321
flat angles C4'-P-C4' energy: -74.503
flat angles P-C4'-P energy: -35.412
tors. eta vs tors. theta energy: -76.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 289
Temperature: 1.150000
Total energy: -1027.080196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1027.080196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1027.080196 (E_RNA)
where:
Base-Base interactions energy: -703.131
where: short stacking energy: -284.519
Base-Backbone interact. energy: -2.525
local terms energy: -321.423925
where:
bonds (distance) C4'-P energy: -73.023
bonds (distance) P-C4' energy: -76.501
flat angles C4'-P-C4' energy: -64.638
flat angles P-C4'-P energy: -51.586
tors. eta vs tors. theta energy: -55.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 289
Temperature: 1.200000
Total energy: -957.610056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -957.610056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -957.610056 (E_RNA)
where:
Base-Base interactions energy: -634.565
where: short stacking energy: -262.431
Base-Backbone interact. energy: -1.829
local terms energy: -321.215964
where:
bonds (distance) C4'-P energy: -67.130
bonds (distance) P-C4' energy: -73.914
flat angles C4'-P-C4' energy: -74.901
flat angles P-C4'-P energy: -39.272
tors. eta vs tors. theta energy: -65.999
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: 8, replica: 1
=====================================
Write number: 289
Temperature: 1.250000
Total energy: -878.002150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -878.002150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -878.002150 (E_RNA)
where:
Base-Base interactions energy: -563.847
where: short stacking energy: -261.525
Base-Backbone interact. energy: -1.785
local terms energy: -312.370078
where:
bonds (distance) C4'-P energy: -65.146
bonds (distance) P-C4' energy: -56.405
flat angles C4'-P-C4' energy: -85.844
flat angles P-C4'-P energy: -37.991
tors. eta vs tors. theta energy: -66.984
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: 9, replica: 6
=====================================
Write number: 289
Temperature: 1.300000
Total energy: -564.447483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -564.447483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -564.447483 (E_RNA)
where:
Base-Base interactions energy: -321.583
where: short stacking energy: -160.017
Base-Backbone interact. energy: -0.743
local terms energy: -242.121212
where:
bonds (distance) C4'-P energy: -67.888
bonds (distance) P-C4' energy: -76.308
flat angles C4'-P-C4' energy: -45.031
flat angles P-C4'-P energy: -36.782
tors. eta vs tors. theta energy: -16.113
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: 289
Temperature: 1.350000
Total energy: -476.637275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.637275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.637275 (E_RNA)
where:
Base-Base interactions energy: -230.114
where: short stacking energy: -149.389
Base-Backbone interact. energy: 0.671
local terms energy: -247.193645
where:
bonds (distance) C4'-P energy: -67.752
bonds (distance) P-C4' energy: -55.015
flat angles C4'-P-C4' energy: -60.358
flat angles P-C4'-P energy: -43.099
tors. eta vs tors. theta energy: -20.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 290
Temperature: 0.900000
Total energy: -1324.450205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1324.450205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1324.450205 (E_RNA)
where:
Base-Base interactions energy: -912.060
where: short stacking energy: -408.777
Base-Backbone interact. energy: 1.842
local terms energy: -414.232137
where:
bonds (distance) C4'-P energy: -63.308
bonds (distance) P-C4' energy: -69.262
flat angles C4'-P-C4' energy: -89.693
flat angles P-C4'-P energy: -68.563
tors. eta vs tors. theta energy: -123.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 290
Temperature: 0.950000
Total energy: -1358.345817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1358.345817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1358.345817 (E_RNA)
where:
Base-Base interactions energy: -938.655
where: short stacking energy: -384.517
Base-Backbone interact. energy: -2.841
local terms energy: -416.849318
where:
bonds (distance) C4'-P energy: -66.119
bonds (distance) P-C4' energy: -78.833
flat angles C4'-P-C4' energy: -90.332
flat angles P-C4'-P energy: -62.506
tors. eta vs tors. theta energy: -119.059
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 290
Temperature: 1.000000
Total energy: -1294.275992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1294.275992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1294.275992 (E_RNA)
where:
Base-Base interactions energy: -889.867
where: short stacking energy: -374.232
Base-Backbone interact. energy: -2.521
local terms energy: -401.888776
where:
bonds (distance) C4'-P energy: -78.127
bonds (distance) P-C4' energy: -72.935
flat angles C4'-P-C4' energy: -82.171
flat angles P-C4'-P energy: -59.150
tors. eta vs tors. theta energy: -109.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 290
Temperature: 1.050000
Total energy: -1225.724040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1225.724040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1225.724040 (E_RNA)
where:
Base-Base interactions energy: -859.838
where: short stacking energy: -368.147
Base-Backbone interact. energy: 1.133
local terms energy: -367.018632
where:
bonds (distance) C4'-P energy: -75.958
bonds (distance) P-C4' energy: -68.747
flat angles C4'-P-C4' energy: -81.382
flat angles P-C4'-P energy: -40.154
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: 5, replica: 10
=====================================
Write number: 290
Temperature: 1.100000
Total energy: -1035.604723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1035.604723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1035.604723 (E_RNA)
where:
Base-Base interactions energy: -700.480
where: short stacking energy: -305.381
Base-Backbone interact. energy: 3.820
local terms energy: -338.945169
where:
bonds (distance) C4'-P energy: -70.092
bonds (distance) P-C4' energy: -71.626
flat angles C4'-P-C4' energy: -76.191
flat angles P-C4'-P energy: -51.181
tors. eta vs tors. theta energy: -69.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 290
Temperature: 1.150000
Total energy: -1115.572546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1115.572546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1115.572546 (E_RNA)
where:
Base-Base interactions energy: -784.954
where: short stacking energy: -334.443
Base-Backbone interact. energy: -2.779
local terms energy: -327.839178
where:
bonds (distance) C4'-P energy: -63.993
bonds (distance) P-C4' energy: -60.468
flat angles C4'-P-C4' energy: -79.833
flat angles P-C4'-P energy: -36.593
tors. eta vs tors. theta energy: -86.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 290
Temperature: 1.200000
Total energy: -952.028898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -952.028898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -952.028898 (E_RNA)
where:
Base-Base interactions energy: -647.564
where: short stacking energy: -280.372
Base-Backbone interact. energy: -0.957
local terms energy: -303.508170
where:
bonds (distance) C4'-P energy: -64.290
bonds (distance) P-C4' energy: -67.661
flat angles C4'-P-C4' energy: -61.757
flat angles P-C4'-P energy: -43.372
tors. eta vs tors. theta energy: -66.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 290
Temperature: 1.250000
Total energy: -855.367607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -855.367607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -855.367607 (E_RNA)
where:
Base-Base interactions energy: -548.088
where: short stacking energy: -268.048
Base-Backbone interact. energy: -1.682
local terms energy: -305.597670
where:
bonds (distance) C4'-P energy: -65.355
bonds (distance) P-C4' energy: -67.919
flat angles C4'-P-C4' energy: -64.714
flat angles P-C4'-P energy: -41.504
tors. eta vs tors. theta energy: -66.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 290
Temperature: 1.300000
Total energy: -539.457519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.457519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.457519 (E_RNA)
where:
Base-Base interactions energy: -306.995
where: short stacking energy: -150.478
Base-Backbone interact. energy: -2.072
local terms energy: -230.391120
where:
bonds (distance) C4'-P energy: -49.309
bonds (distance) P-C4' energy: -71.953
flat angles C4'-P-C4' energy: -57.532
flat angles P-C4'-P energy: -37.750
tors. eta vs tors. theta energy: -13.846
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: 2
=====================================
Write number: 290
Temperature: 1.350000
Total energy: -419.314541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.314541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.314541 (E_RNA)
where:
Base-Base interactions energy: -202.381
where: short stacking energy: -140.291
Base-Backbone interact. energy: 0.209
local terms energy: -217.142695
where:
bonds (distance) C4'-P energy: -72.930
bonds (distance) P-C4' energy: -67.423
flat angles C4'-P-C4' energy: -58.680
flat angles P-C4'-P energy: -22.578
tors. eta vs tors. theta energy: 4.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 291
Temperature: 0.900000
Total energy: -1340.093594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1340.093594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1340.093594 (E_RNA)
where:
Base-Base interactions energy: -932.024
where: short stacking energy: -404.161
Base-Backbone interact. energy: -1.975
local terms energy: -406.094323
where:
bonds (distance) C4'-P energy: -75.289
bonds (distance) P-C4' energy: -80.578
flat angles C4'-P-C4' energy: -84.671
flat angles P-C4'-P energy: -54.869
tors. eta vs tors. theta energy: -110.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 291
Temperature: 0.950000
Total energy: -1377.131119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1377.131119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1377.131119 (E_RNA)
where:
Base-Base interactions energy: -965.998
where: short stacking energy: -402.502
Base-Backbone interact. energy: -0.451
local terms energy: -410.681975
where:
bonds (distance) C4'-P energy: -74.528
bonds (distance) P-C4' energy: -82.847
flat angles C4'-P-C4' energy: -78.395
flat angles P-C4'-P energy: -55.170
tors. eta vs tors. theta energy: -119.742
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: 3, replica: 3
=====================================
Write number: 291
Temperature: 1.000000
Total energy: -1297.789801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1297.789801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1297.789801 (E_RNA)
where:
Base-Base interactions energy: -893.479
where: short stacking energy: -384.240
Base-Backbone interact. energy: -1.285
local terms energy: -403.025783
where:
bonds (distance) C4'-P energy: -81.723
bonds (distance) P-C4' energy: -72.059
flat angles C4'-P-C4' energy: -81.259
flat angles P-C4'-P energy: -53.175
tors. eta vs tors. theta energy: -114.810
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: 4, replica: 9
=====================================
Write number: 291
Temperature: 1.050000
Total energy: -1222.602188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1222.602188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1222.602188 (E_RNA)
where:
Base-Base interactions energy: -850.788
where: short stacking energy: -355.104
Base-Backbone interact. energy: -0.184
local terms energy: -371.630661
where:
bonds (distance) C4'-P energy: -65.872
bonds (distance) P-C4' energy: -75.996
flat angles C4'-P-C4' energy: -80.953
flat angles P-C4'-P energy: -51.446
tors. eta vs tors. theta energy: -97.363
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: 5, replica: 10
=====================================
Write number: 291
Temperature: 1.100000
Total energy: -1028.210400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1028.210400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1028.210400 (E_RNA)
where:
Base-Base interactions energy: -680.562
where: short stacking energy: -280.078
Base-Backbone interact. energy: -2.046
local terms energy: -345.602582
where:
bonds (distance) C4'-P energy: -67.383
bonds (distance) P-C4' energy: -63.114
flat angles C4'-P-C4' energy: -85.906
flat angles P-C4'-P energy: -56.992
tors. eta vs tors. theta energy: -72.209
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: 4
=====================================
Write number: 291
Temperature: 1.150000
Total energy: -1101.470516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1101.470516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1101.470516 (E_RNA)
where:
Base-Base interactions energy: -763.574
where: short stacking energy: -309.181
Base-Backbone interact. energy: 0.787
local terms energy: -338.683597
where:
bonds (distance) C4'-P energy: -62.415
bonds (distance) P-C4' energy: -70.199
flat angles C4'-P-C4' energy: -84.660
flat angles P-C4'-P energy: -42.697
tors. eta vs tors. theta energy: -78.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 291
Temperature: 1.200000
Total energy: -929.560882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -929.560882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -929.560882 (E_RNA)
where:
Base-Base interactions energy: -616.693
where: short stacking energy: -250.347
Base-Backbone interact. energy: -3.375
local terms energy: -309.492689
where:
bonds (distance) C4'-P energy: -63.997
bonds (distance) P-C4' energy: -76.832
flat angles C4'-P-C4' energy: -70.729
flat angles P-C4'-P energy: -49.891
tors. eta vs tors. theta energy: -48.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 291
Temperature: 1.250000
Total energy: -857.229328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -857.229328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -857.229328 (E_RNA)
where:
Base-Base interactions energy: -575.438
where: short stacking energy: -275.755
Base-Backbone interact. energy: -1.665
local terms energy: -280.127021
where:
bonds (distance) C4'-P energy: -54.723
bonds (distance) P-C4' energy: -60.564
flat angles C4'-P-C4' energy: -76.897
flat angles P-C4'-P energy: -25.337
tors. eta vs tors. theta energy: -62.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 291
Temperature: 1.300000
Total energy: -543.440156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.440156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.440156 (E_RNA)
where:
Base-Base interactions energy: -308.751
where: short stacking energy: -136.619
Base-Backbone interact. energy: -0.669
local terms energy: -234.019597
where:
bonds (distance) C4'-P energy: -72.471
bonds (distance) P-C4' energy: -72.348
flat angles C4'-P-C4' energy: -51.483
flat angles P-C4'-P energy: -30.721
tors. eta vs tors. theta energy: -6.997
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: 2
=====================================
Write number: 291
Temperature: 1.350000
Total energy: -415.754974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.754974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.754974 (E_RNA)
where:
Base-Base interactions energy: -200.380
where: short stacking energy: -120.663
Base-Backbone interact. energy: -0.510
local terms energy: -214.864998
where:
bonds (distance) C4'-P energy: -54.587
bonds (distance) P-C4' energy: -70.053
flat angles C4'-P-C4' energy: -44.802
flat angles P-C4'-P energy: -37.222
tors. eta vs tors. theta energy: -8.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 292
Temperature: 0.900000
Total energy: -1394.126851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1394.126851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1394.126851 (E_RNA)
where:
Base-Base interactions energy: -967.585
where: short stacking energy: -411.936
Base-Backbone interact. energy: -1.904
local terms energy: -424.637767
where:
bonds (distance) C4'-P energy: -79.319
bonds (distance) P-C4' energy: -77.288
flat angles C4'-P-C4' energy: -92.106
flat angles P-C4'-P energy: -60.653
tors. eta vs tors. theta energy: -115.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 292
Temperature: 0.950000
Total energy: -1330.085124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1330.085124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1330.085124 (E_RNA)
where:
Base-Base interactions energy: -922.367
where: short stacking energy: -381.723
Base-Backbone interact. energy: -2.645
local terms energy: -405.073361
where:
bonds (distance) C4'-P energy: -75.016
bonds (distance) P-C4' energy: -78.096
flat angles C4'-P-C4' energy: -82.721
flat angles P-C4'-P energy: -50.267
tors. eta vs tors. theta energy: -118.973
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: 292
Temperature: 1.000000
Total energy: -1290.830801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1290.830801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1290.830801 (E_RNA)
where:
Base-Base interactions energy: -903.707
where: short stacking energy: -391.981
Base-Backbone interact. energy: -2.436
local terms energy: -384.687764
where:
bonds (distance) C4'-P energy: -60.615
bonds (distance) P-C4' energy: -78.525
flat angles C4'-P-C4' energy: -84.725
flat angles P-C4'-P energy: -47.005
tors. eta vs tors. theta energy: -113.818
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: 9
=====================================
Write number: 292
Temperature: 1.050000
Total energy: -1195.881243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1195.881243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1195.881243 (E_RNA)
where:
Base-Base interactions energy: -822.428
where: short stacking energy: -357.498
Base-Backbone interact. energy: 0.170
local terms energy: -373.623648
where:
bonds (distance) C4'-P energy: -65.738
bonds (distance) P-C4' energy: -78.576
flat angles C4'-P-C4' energy: -79.189
flat angles P-C4'-P energy: -50.232
tors. eta vs tors. theta energy: -99.888
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: 4
=====================================
Write number: 292
Temperature: 1.100000
Total energy: -1109.870810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1109.870810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1109.870810 (E_RNA)
where:
Base-Base interactions energy: -783.350
where: short stacking energy: -331.686
Base-Backbone interact. energy: -1.148
local terms energy: -325.372999
where:
bonds (distance) C4'-P energy: -68.269
bonds (distance) P-C4' energy: -54.416
flat angles C4'-P-C4' energy: -65.998
flat angles P-C4'-P energy: -44.903
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: 6, replica: 10
=====================================
Write number: 292
Temperature: 1.150000
Total energy: -975.967910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -975.967910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -975.967910 (E_RNA)
where:
Base-Base interactions energy: -660.659
where: short stacking energy: -311.027
Base-Backbone interact. energy: -2.255
local terms energy: -313.054043
where:
bonds (distance) C4'-P energy: -64.731
bonds (distance) P-C4' energy: -41.311
flat angles C4'-P-C4' energy: -77.414
flat angles P-C4'-P energy: -52.947
tors. eta vs tors. theta energy: -76.651
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: 7, replica: 8
=====================================
Write number: 292
Temperature: 1.200000
Total energy: -925.303630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -925.303630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -925.303630 (E_RNA)
where:
Base-Base interactions energy: -599.936
where: short stacking energy: -257.181
Base-Backbone interact. energy: -2.535
local terms energy: -322.832635
where:
bonds (distance) C4'-P energy: -69.594
bonds (distance) P-C4' energy: -71.469
flat angles C4'-P-C4' energy: -67.032
flat angles P-C4'-P energy: -56.095
tors. eta vs tors. theta energy: -58.643
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: 1
=====================================
Write number: 292
Temperature: 1.250000
Total energy: -891.460845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -891.460845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -891.460845 (E_RNA)
where:
Base-Base interactions energy: -560.089
where: short stacking energy: -280.291
Base-Backbone interact. energy: 1.036
local terms energy: -332.408119
where:
bonds (distance) C4'-P energy: -77.363
bonds (distance) P-C4' energy: -64.465
flat angles C4'-P-C4' energy: -72.208
flat angles P-C4'-P energy: -35.955
tors. eta vs tors. theta energy: -82.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 292
Temperature: 1.300000
Total energy: -545.344825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.344825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.344825 (E_RNA)
where:
Base-Base interactions energy: -294.839
where: short stacking energy: -144.126
Base-Backbone interact. energy: 0.063
local terms energy: -250.568299
where:
bonds (distance) C4'-P energy: -52.086
bonds (distance) P-C4' energy: -73.767
flat angles C4'-P-C4' energy: -54.125
flat angles P-C4'-P energy: -40.213
tors. eta vs tors. theta energy: -30.378
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: 2
=====================================
Write number: 292
Temperature: 1.350000
Total energy: -391.127523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.127523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.127523 (E_RNA)
where:
Base-Base interactions energy: -199.089
where: short stacking energy: -112.217
Base-Backbone interact. energy: -1.246
local terms energy: -190.792602
where:
bonds (distance) C4'-P energy: -60.397
bonds (distance) P-C4' energy: -67.307
flat angles C4'-P-C4' energy: -51.334
flat angles P-C4'-P energy: -18.586
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: 7
=====================================
Write number: 293
Temperature: 0.900000
Total energy: -1404.588748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1404.588748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1404.588748 (E_RNA)
where:
Base-Base interactions energy: -985.776
where: short stacking energy: -405.923
Base-Backbone interact. energy: -1.452
local terms energy: -417.360909
where:
bonds (distance) C4'-P energy: -69.799
bonds (distance) P-C4' energy: -84.199
flat angles C4'-P-C4' energy: -89.414
flat angles P-C4'-P energy: -53.998
tors. eta vs tors. theta energy: -119.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 293
Temperature: 0.950000
Total energy: -1328.114474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1328.114474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1328.114474 (E_RNA)
where:
Base-Base interactions energy: -896.477
where: short stacking energy: -378.223
Base-Backbone interact. energy: -4.592
local terms energy: -427.045718
where:
bonds (distance) C4'-P energy: -86.540
bonds (distance) P-C4' energy: -76.543
flat angles C4'-P-C4' energy: -86.923
flat angles P-C4'-P energy: -63.100
tors. eta vs tors. theta energy: -113.941
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: 293
Temperature: 1.000000
Total energy: -1285.464408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1285.464408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1285.464408 (E_RNA)
where:
Base-Base interactions energy: -903.246
where: short stacking energy: -377.547
Base-Backbone interact. energy: -1.780
local terms energy: -380.438093
where:
bonds (distance) C4'-P energy: -72.635
bonds (distance) P-C4' energy: -83.948
flat angles C4'-P-C4' energy: -72.733
flat angles P-C4'-P energy: -45.995
tors. eta vs tors. theta energy: -105.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 293
Temperature: 1.050000
Total energy: -1211.401145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1211.401145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1211.401145 (E_RNA)
where:
Base-Base interactions energy: -860.120
where: short stacking energy: -362.635
Base-Backbone interact. energy: -2.224
local terms energy: -349.057202
where:
bonds (distance) C4'-P energy: -66.105
bonds (distance) P-C4' energy: -70.404
flat angles C4'-P-C4' energy: -69.300
flat angles P-C4'-P energy: -44.979
tors. eta vs tors. theta energy: -98.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 293
Temperature: 1.100000
Total energy: -1096.904273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1096.904273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1096.904273 (E_RNA)
where:
Base-Base interactions energy: -736.771
where: short stacking energy: -323.570
Base-Backbone interact. energy: -3.576
local terms energy: -356.556943
where:
bonds (distance) C4'-P energy: -69.648
bonds (distance) P-C4' energy: -62.278
flat angles C4'-P-C4' energy: -80.716
flat angles P-C4'-P energy: -55.377
tors. eta vs tors. theta energy: -88.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 293
Temperature: 1.150000
Total energy: -982.020517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -982.020517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -982.020517 (E_RNA)
where:
Base-Base interactions energy: -661.597
where: short stacking energy: -275.489
Base-Backbone interact. energy: 0.783
local terms energy: -321.207010
where:
bonds (distance) C4'-P energy: -67.322
bonds (distance) P-C4' energy: -74.889
flat angles C4'-P-C4' energy: -75.195
flat angles P-C4'-P energy: -47.939
tors. eta vs tors. theta energy: -55.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 293
Temperature: 1.200000
Total energy: -940.283820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -940.283820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -940.283820 (E_RNA)
where:
Base-Base interactions energy: -613.780
where: short stacking energy: -277.315
Base-Backbone interact. energy: -0.330
local terms energy: -326.173771
where:
bonds (distance) C4'-P energy: -52.498
bonds (distance) P-C4' energy: -65.668
flat angles C4'-P-C4' energy: -86.588
flat angles P-C4'-P energy: -54.181
tors. eta vs tors. theta energy: -67.239
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: 1
=====================================
Write number: 293
Temperature: 1.250000
Total energy: -844.532300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -844.532300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -844.532300 (E_RNA)
where:
Base-Base interactions energy: -547.883
where: short stacking energy: -278.404
Base-Backbone interact. energy: -0.480
local terms energy: -296.169108
where:
bonds (distance) C4'-P energy: -58.124
bonds (distance) P-C4' energy: -65.277
flat angles C4'-P-C4' energy: -68.999
flat angles P-C4'-P energy: -35.745
tors. eta vs tors. theta energy: -68.024
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: 9, replica: 6
=====================================
Write number: 293
Temperature: 1.300000
Total energy: -566.483302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -566.483302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -566.483302 (E_RNA)
where:
Base-Base interactions energy: -320.910
where: short stacking energy: -172.362
Base-Backbone interact. energy: -1.012
local terms energy: -244.561045
where:
bonds (distance) C4'-P energy: -60.132
bonds (distance) P-C4' energy: -65.746
flat angles C4'-P-C4' energy: -57.108
flat angles P-C4'-P energy: -40.074
tors. eta vs tors. theta energy: -21.500
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: 2
=====================================
Write number: 293
Temperature: 1.350000
Total energy: -431.524386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.524386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.524386 (E_RNA)
where:
Base-Base interactions energy: -215.034
where: short stacking energy: -113.411
Base-Backbone interact. energy: 0.267
local terms energy: -216.757461
where:
bonds (distance) C4'-P energy: -67.587
bonds (distance) P-C4' energy: -58.626
flat angles C4'-P-C4' energy: -64.335
flat angles P-C4'-P energy: -26.203
tors. eta vs tors. theta energy: -0.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 294
Temperature: 0.900000
Total energy: -1407.251155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1407.251155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1407.251155 (E_RNA)
where:
Base-Base interactions energy: -975.644
where: short stacking energy: -402.011
Base-Backbone interact. energy: -1.515
local terms energy: -430.091467
where:
bonds (distance) C4'-P energy: -76.305
bonds (distance) P-C4' energy: -77.598
flat angles C4'-P-C4' energy: -90.883
flat angles P-C4'-P energy: -72.765
tors. eta vs tors. theta energy: -112.541
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: 2, replica: 3
=====================================
Write number: 294
Temperature: 0.950000
Total energy: -1336.002956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1336.002956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1336.002956 (E_RNA)
where:
Base-Base interactions energy: -904.005
where: short stacking energy: -393.411
Base-Backbone interact. energy: -3.370
local terms energy: -428.627505
where:
bonds (distance) C4'-P energy: -72.267
bonds (distance) P-C4' energy: -83.700
flat angles C4'-P-C4' energy: -85.542
flat angles P-C4'-P energy: -67.361
tors. eta vs tors. theta energy: -119.757
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: 3, replica: 5
=====================================
Write number: 294
Temperature: 1.000000
Total energy: -1299.798548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1299.798548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1299.798548 (E_RNA)
where:
Base-Base interactions energy: -903.722
where: short stacking energy: -389.934
Base-Backbone interact. energy: -2.691
local terms energy: -393.386439
where:
bonds (distance) C4'-P energy: -74.159
bonds (distance) P-C4' energy: -80.317
flat angles C4'-P-C4' energy: -73.012
flat angles P-C4'-P energy: -53.343
tors. eta vs tors. theta energy: -112.555
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: 4, replica: 9
=====================================
Write number: 294
Temperature: 1.050000
Total energy: -1206.638433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1206.638433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1206.638433 (E_RNA)
where:
Base-Base interactions energy: -817.390
where: short stacking energy: -353.755
Base-Backbone interact. energy: -1.082
local terms energy: -388.167052
where:
bonds (distance) C4'-P energy: -69.698
bonds (distance) P-C4' energy: -74.585
flat angles C4'-P-C4' energy: -87.504
flat angles P-C4'-P energy: -57.938
tors. eta vs tors. theta energy: -98.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 294
Temperature: 1.100000
Total energy: -1095.117581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1095.117581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1095.117581 (E_RNA)
where:
Base-Base interactions energy: -744.140
where: short stacking energy: -322.193
Base-Backbone interact. energy: 0.055
local terms energy: -351.032705
where:
bonds (distance) C4'-P energy: -70.414
bonds (distance) P-C4' energy: -74.196
flat angles C4'-P-C4' energy: -80.117
flat angles P-C4'-P energy: -40.789
tors. eta vs tors. theta energy: -85.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 294
Temperature: 1.150000
Total energy: -948.940554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -948.940554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -948.940554 (E_RNA)
where:
Base-Base interactions energy: -629.225
where: short stacking energy: -271.432
Base-Backbone interact. energy: -1.006
local terms energy: -318.709290
where:
bonds (distance) C4'-P energy: -63.274
bonds (distance) P-C4' energy: -74.223
flat angles C4'-P-C4' energy: -68.096
flat angles P-C4'-P energy: -52.933
tors. eta vs tors. theta energy: -60.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 294
Temperature: 1.200000
Total energy: -928.880886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -928.880886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -928.880886 (E_RNA)
where:
Base-Base interactions energy: -589.729
where: short stacking energy: -271.089
Base-Backbone interact. energy: -1.605
local terms energy: -337.546274
where:
bonds (distance) C4'-P energy: -71.105
bonds (distance) P-C4' energy: -68.177
flat angles C4'-P-C4' energy: -78.258
flat angles P-C4'-P energy: -50.534
tors. eta vs tors. theta energy: -69.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 294
Temperature: 1.250000
Total energy: -878.748262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -878.748262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -878.748262 (E_RNA)
where:
Base-Base interactions energy: -564.477
where: short stacking energy: -258.936
Base-Backbone interact. energy: -1.918
local terms energy: -312.353174
where:
bonds (distance) C4'-P energy: -62.480
bonds (distance) P-C4' energy: -60.081
flat angles C4'-P-C4' energy: -78.546
flat angles P-C4'-P energy: -38.686
tors. eta vs tors. theta energy: -72.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 294
Temperature: 1.300000
Total energy: -528.727375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.727375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.727375 (E_RNA)
where:
Base-Base interactions energy: -287.984
where: short stacking energy: -156.916
Base-Backbone interact. energy: 0.048
local terms energy: -240.791422
where:
bonds (distance) C4'-P energy: -55.240
bonds (distance) P-C4' energy: -60.721
flat angles C4'-P-C4' energy: -58.439
flat angles P-C4'-P energy: -52.921
tors. eta vs tors. theta energy: -13.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 294
Temperature: 1.350000
Total energy: -443.280522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.280522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.280522 (E_RNA)
where:
Base-Base interactions energy: -215.985
where: short stacking energy: -119.995
Base-Backbone interact. energy: -1.452
local terms energy: -225.844323
where:
bonds (distance) C4'-P energy: -55.058
bonds (distance) P-C4' energy: -55.808
flat angles C4'-P-C4' energy: -69.509
flat angles P-C4'-P energy: -45.764
tors. eta vs tors. theta energy: 0.295
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: 7
=====================================
Write number: 295
Temperature: 0.900000
Total energy: -1400.101716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1400.101716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1400.101716 (E_RNA)
where:
Base-Base interactions energy: -995.250
where: short stacking energy: -407.257
Base-Backbone interact. energy: 1.250
local terms energy: -406.101833
where:
bonds (distance) C4'-P energy: -66.221
bonds (distance) P-C4' energy: -85.833
flat angles C4'-P-C4' energy: -75.397
flat angles P-C4'-P energy: -63.588
tors. eta vs tors. theta energy: -115.063
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: 2, replica: 5
=====================================
Write number: 295
Temperature: 0.950000
Total energy: -1333.821860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1333.821860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1333.821860 (E_RNA)
where:
Base-Base interactions energy: -899.335
where: short stacking energy: -375.296
Base-Backbone interact. energy: -2.281
local terms energy: -432.205563
where:
bonds (distance) C4'-P energy: -86.655
bonds (distance) P-C4' energy: -82.150
flat angles C4'-P-C4' energy: -86.707
flat angles P-C4'-P energy: -65.262
tors. eta vs tors. theta energy: -111.431
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: 295
Temperature: 1.000000
Total energy: -1320.658525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1320.658525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1320.658525 (E_RNA)
where:
Base-Base interactions energy: -900.789
where: short stacking energy: -409.385
Base-Backbone interact. energy: 0.157
local terms energy: -420.026844
where:
bonds (distance) C4'-P energy: -81.272
bonds (distance) P-C4' energy: -68.491
flat angles C4'-P-C4' energy: -85.257
flat angles P-C4'-P energy: -67.147
tors. eta vs tors. theta energy: -117.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 295
Temperature: 1.050000
Total energy: -1176.546959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1176.546959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1176.546959 (E_RNA)
where:
Base-Base interactions energy: -805.775
where: short stacking energy: -335.613
Base-Backbone interact. energy: -1.221
local terms energy: -369.550951
where:
bonds (distance) C4'-P energy: -75.729
bonds (distance) P-C4' energy: -79.769
flat angles C4'-P-C4' energy: -75.064
flat angles P-C4'-P energy: -44.663
tors. eta vs tors. theta energy: -94.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 295
Temperature: 1.100000
Total energy: -1117.030516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1117.030516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1117.030516 (E_RNA)
where:
Base-Base interactions energy: -747.747
where: short stacking energy: -325.040
Base-Backbone interact. energy: -2.408
local terms energy: -366.875717
where:
bonds (distance) C4'-P energy: -72.468
bonds (distance) P-C4' energy: -71.210
flat angles C4'-P-C4' energy: -76.860
flat angles P-C4'-P energy: -52.115
tors. eta vs tors. theta energy: -94.222
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: 10
=====================================
Write number: 295
Temperature: 1.150000
Total energy: -947.090083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -947.090083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -947.090083 (E_RNA)
where:
Base-Base interactions energy: -631.925
where: short stacking energy: -278.966
Base-Backbone interact. energy: 0.285
local terms energy: -315.449658
where:
bonds (distance) C4'-P energy: -68.026
bonds (distance) P-C4' energy: -73.693
flat angles C4'-P-C4' energy: -71.126
flat angles P-C4'-P energy: -40.931
tors. eta vs tors. theta energy: -61.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 295
Temperature: 1.200000
Total energy: -951.927464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -951.927464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -951.927464 (E_RNA)
where:
Base-Base interactions energy: -620.407
where: short stacking energy: -278.874
Base-Backbone interact. energy: -1.970
local terms energy: -329.550333
where:
bonds (distance) C4'-P energy: -70.535
bonds (distance) P-C4' energy: -74.199
flat angles C4'-P-C4' energy: -69.100
flat angles P-C4'-P energy: -42.678
tors. eta vs tors. theta energy: -73.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 295
Temperature: 1.250000
Total energy: -891.107744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -891.107744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -891.107744 (E_RNA)
where:
Base-Base interactions energy: -575.909
where: short stacking energy: -269.389
Base-Backbone interact. energy: -1.050
local terms energy: -314.149208
where:
bonds (distance) C4'-P energy: -59.434
bonds (distance) P-C4' energy: -72.527
flat angles C4'-P-C4' energy: -76.669
flat angles P-C4'-P energy: -38.922
tors. eta vs tors. theta energy: -66.598
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: 6
=====================================
Write number: 295
Temperature: 1.300000
Total energy: -536.004788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.004788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.004788 (E_RNA)
where:
Base-Base interactions energy: -299.148
where: short stacking energy: -148.957
Base-Backbone interact. energy: -0.569
local terms energy: -237.451080
where:
bonds (distance) C4'-P energy: -57.271
bonds (distance) P-C4' energy: -59.139
flat angles C4'-P-C4' energy: -62.449
flat angles P-C4'-P energy: -38.384
tors. eta vs tors. theta energy: -20.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.163 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 295
Temperature: 1.350000
Total energy: -440.297573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.297573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.297573 (E_RNA)
where:
Base-Base interactions energy: -223.304
where: short stacking energy: -133.473
Base-Backbone interact. energy: -0.384
local terms energy: -216.609746
where:
bonds (distance) C4'-P energy: -52.066
bonds (distance) P-C4' energy: -69.906
flat angles C4'-P-C4' energy: -63.896
flat angles P-C4'-P energy: -33.784
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: 7
=====================================
Write number: 296
Temperature: 0.900000
Total energy: -1386.302819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1386.302819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1386.302819 (E_RNA)
where:
Base-Base interactions energy: -968.052
where: short stacking energy: -413.502
Base-Backbone interact. energy: 1.974
local terms energy: -420.224443
where:
bonds (distance) C4'-P energy: -69.728
bonds (distance) P-C4' energy: -85.262
flat angles C4'-P-C4' energy: -86.738
flat angles P-C4'-P energy: -61.234
tors. eta vs tors. theta energy: -117.263
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: 5
=====================================
Write number: 296
Temperature: 0.950000
Total energy: -1326.666641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1326.666641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1326.666641 (E_RNA)
where:
Base-Base interactions energy: -911.997
where: short stacking energy: -395.465
Base-Backbone interact. energy: -3.508
local terms energy: -411.162195
where:
bonds (distance) C4'-P energy: -79.954
bonds (distance) P-C4' energy: -76.440
flat angles C4'-P-C4' energy: -83.695
flat angles P-C4'-P energy: -56.243
tors. eta vs tors. theta energy: -114.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 296
Temperature: 1.000000
Total energy: -1287.037017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1287.037017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1287.037017 (E_RNA)
where:
Base-Base interactions energy: -886.435
where: short stacking energy: -399.020
Base-Backbone interact. energy: -0.223
local terms energy: -400.378589
where:
bonds (distance) C4'-P energy: -63.318
bonds (distance) P-C4' energy: -68.479
flat angles C4'-P-C4' energy: -85.400
flat angles P-C4'-P energy: -60.668
tors. eta vs tors. theta energy: -122.514
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: 9
=====================================
Write number: 296
Temperature: 1.050000
Total energy: -1172.482758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1172.482758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1172.482758 (E_RNA)
where:
Base-Base interactions energy: -798.392
where: short stacking energy: -350.460
Base-Backbone interact. energy: -1.525
local terms energy: -372.565777
where:
bonds (distance) C4'-P energy: -79.010
bonds (distance) P-C4' energy: -67.967
flat angles C4'-P-C4' energy: -71.233
flat angles P-C4'-P energy: -54.410
tors. eta vs tors. theta energy: -99.946
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: 5, replica: 4
=====================================
Write number: 296
Temperature: 1.100000
Total energy: -1077.459369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1077.459369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1077.459369 (E_RNA)
where:
Base-Base interactions energy: -725.977
where: short stacking energy: -304.176
Base-Backbone interact. energy: -3.660
local terms energy: -347.822452
where:
bonds (distance) C4'-P energy: -65.580
bonds (distance) P-C4' energy: -72.689
flat angles C4'-P-C4' energy: -82.349
flat angles P-C4'-P energy: -47.539
tors. eta vs tors. theta energy: -79.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 296
Temperature: 1.150000
Total energy: -905.185718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -905.185718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -905.185718 (E_RNA)
where:
Base-Base interactions energy: -591.843
where: short stacking energy: -264.583
Base-Backbone interact. energy: -0.574
local terms energy: -312.769484
where:
bonds (distance) C4'-P energy: -54.265
bonds (distance) P-C4' energy: -67.302
flat angles C4'-P-C4' energy: -75.124
flat angles P-C4'-P energy: -50.752
tors. eta vs tors. theta energy: -65.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 296
Temperature: 1.200000
Total energy: -915.900379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -915.900379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -915.900379 (E_RNA)
where:
Base-Base interactions energy: -621.217
where: short stacking energy: -265.318
Base-Backbone interact. energy: 0.701
local terms energy: -295.384389
where:
bonds (distance) C4'-P energy: -72.035
bonds (distance) P-C4' energy: -66.779
flat angles C4'-P-C4' energy: -64.846
flat angles P-C4'-P energy: -28.213
tors. eta vs tors. theta energy: -63.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 296
Temperature: 1.250000
Total energy: -845.549583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -845.549583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -845.549583 (E_RNA)
where:
Base-Base interactions energy: -553.670
where: short stacking energy: -253.176
Base-Backbone interact. energy: -1.324
local terms energy: -290.555712
where:
bonds (distance) C4'-P energy: -68.746
bonds (distance) P-C4' energy: -59.090
flat angles C4'-P-C4' energy: -65.046
flat angles P-C4'-P energy: -39.121
tors. eta vs tors. theta energy: -58.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 296
Temperature: 1.300000
Total energy: -505.350821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.350821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.350821 (E_RNA)
where:
Base-Base interactions energy: -267.180
where: short stacking energy: -132.723
Base-Backbone interact. energy: 3.252
local terms energy: -241.422951
where:
bonds (distance) C4'-P energy: -58.009
bonds (distance) P-C4' energy: -70.384
flat angles C4'-P-C4' energy: -59.906
flat angles P-C4'-P energy: -43.781
tors. eta vs tors. theta energy: -9.343
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: 2
=====================================
Write number: 296
Temperature: 1.350000
Total energy: -465.418257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.418257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.418257 (E_RNA)
where:
Base-Base interactions energy: -238.548
where: short stacking energy: -122.055
Base-Backbone interact. energy: 0.845
local terms energy: -227.715905
where:
bonds (distance) C4'-P energy: -61.618
bonds (distance) P-C4' energy: -67.680
flat angles C4'-P-C4' energy: -62.750
flat angles P-C4'-P energy: -32.529
tors. eta vs tors. theta energy: -3.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 297
Temperature: 0.900000
Total energy: -1389.897126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1389.897126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1389.897126 (E_RNA)
where:
Base-Base interactions energy: -965.835
where: short stacking energy: -424.750
Base-Backbone interact. energy: -1.706
local terms energy: -422.356215
where:
bonds (distance) C4'-P energy: -68.831
bonds (distance) P-C4' energy: -83.435
flat angles C4'-P-C4' energy: -85.188
flat angles P-C4'-P energy: -64.005
tors. eta vs tors. theta energy: -120.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 297
Temperature: 0.950000
Total energy: -1311.541856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1311.541856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1311.541856 (E_RNA)
where:
Base-Base interactions energy: -888.652
where: short stacking energy: -412.541
Base-Backbone interact. energy: -1.514
local terms energy: -421.376234
where:
bonds (distance) C4'-P energy: -69.047
bonds (distance) P-C4' energy: -73.792
flat angles C4'-P-C4' energy: -91.090
flat angles P-C4'-P energy: -59.191
tors. eta vs tors. theta energy: -128.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 297
Temperature: 1.000000
Total energy: -1286.780727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1286.780727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1286.780727 (E_RNA)
where:
Base-Base interactions energy: -889.185
where: short stacking energy: -373.394
Base-Backbone interact. energy: 3.136
local terms energy: -400.731425
where:
bonds (distance) C4'-P energy: -76.228
bonds (distance) P-C4' energy: -78.495
flat angles C4'-P-C4' energy: -88.077
flat angles P-C4'-P energy: -51.127
tors. eta vs tors. theta energy: -106.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 297
Temperature: 1.050000
Total energy: -1194.418098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1194.418098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1194.418098 (E_RNA)
where:
Base-Base interactions energy: -823.403
where: short stacking energy: -349.725
Base-Backbone interact. energy: -1.281
local terms energy: -369.734143
where:
bonds (distance) C4'-P energy: -68.690
bonds (distance) P-C4' energy: -68.648
flat angles C4'-P-C4' energy: -84.270
flat angles P-C4'-P energy: -54.019
tors. eta vs tors. theta energy: -94.107
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: 4
=====================================
Write number: 297
Temperature: 1.100000
Total energy: -1119.507796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1119.507796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1119.507796 (E_RNA)
where:
Base-Base interactions energy: -762.684
where: short stacking energy: -318.176
Base-Backbone interact. energy: 0.897
local terms energy: -357.720544
where:
bonds (distance) C4'-P energy: -71.990
bonds (distance) P-C4' energy: -79.536
flat angles C4'-P-C4' energy: -71.892
flat angles P-C4'-P energy: -53.266
tors. eta vs tors. theta energy: -81.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 297
Temperature: 1.150000
Total energy: -945.563787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -945.563787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -945.563787 (E_RNA)
where:
Base-Base interactions energy: -620.747
where: short stacking energy: -278.122
Base-Backbone interact. energy: -0.095
local terms energy: -324.721248
where:
bonds (distance) C4'-P energy: -57.771
bonds (distance) P-C4' energy: -76.671
flat angles C4'-P-C4' energy: -74.458
flat angles P-C4'-P energy: -44.003
tors. eta vs tors. theta energy: -71.818
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: 7, replica: 10
=====================================
Write number: 297
Temperature: 1.200000
Total energy: -939.869778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -939.869778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -939.869778 (E_RNA)
where:
Base-Base interactions energy: -598.466
where: short stacking energy: -270.393
Base-Backbone interact. energy: -0.974
local terms energy: -340.429940
where:
bonds (distance) C4'-P energy: -65.661
bonds (distance) P-C4' energy: -73.566
flat angles C4'-P-C4' energy: -85.385
flat angles P-C4'-P energy: -55.171
tors. eta vs tors. theta energy: -60.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 297
Temperature: 1.250000
Total energy: -876.247843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -876.247843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -876.247843 (E_RNA)
where:
Base-Base interactions energy: -574.053
where: short stacking energy: -257.824
Base-Backbone interact. energy: -0.573
local terms energy: -301.883851
where:
bonds (distance) C4'-P energy: -56.337
bonds (distance) P-C4' energy: -64.951
flat angles C4'-P-C4' energy: -70.065
flat angles P-C4'-P energy: -43.272
tors. eta vs tors. theta energy: -67.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.262 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 297
Temperature: 1.300000
Total energy: -545.579751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.579751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.579751 (E_RNA)
where:
Base-Base interactions energy: -320.004
where: short stacking energy: -151.882
Base-Backbone interact. energy: -2.808
local terms energy: -222.768129
where:
bonds (distance) C4'-P energy: -48.687
bonds (distance) P-C4' energy: -67.662
flat angles C4'-P-C4' energy: -69.931
flat angles P-C4'-P energy: -27.806
tors. eta vs tors. theta energy: -8.682
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: 2
=====================================
Write number: 297
Temperature: 1.350000
Total energy: -417.929713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.929713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.929713 (E_RNA)
where:
Base-Base interactions energy: -227.528
where: short stacking energy: -162.171
Base-Backbone interact. energy: 4.642
local terms energy: -195.042858
where:
bonds (distance) C4'-P energy: -48.450
bonds (distance) P-C4' energy: -60.982
flat angles C4'-P-C4' energy: -45.691
flat angles P-C4'-P energy: -34.991
tors. eta vs tors. theta energy: -4.929
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: 7
=====================================
Write number: 298
Temperature: 0.900000
Total energy: -1372.101389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1372.101389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1372.101389 (E_RNA)
where:
Base-Base interactions energy: -950.986
where: short stacking energy: -410.956
Base-Backbone interact. energy: -2.483
local terms energy: -418.632134
where:
bonds (distance) C4'-P energy: -75.688
bonds (distance) P-C4' energy: -84.077
flat angles C4'-P-C4' energy: -85.021
flat angles P-C4'-P energy: -52.550
tors. eta vs tors. theta energy: -121.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 298
Temperature: 0.950000
Total energy: -1335.372430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1335.372430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1335.372430 (E_RNA)
where:
Base-Base interactions energy: -919.902
where: short stacking energy: -395.762
Base-Backbone interact. energy: -1.750
local terms energy: -413.720322
where:
bonds (distance) C4'-P energy: -75.782
bonds (distance) P-C4' energy: -74.914
flat angles C4'-P-C4' energy: -84.068
flat angles P-C4'-P energy: -58.387
tors. eta vs tors. theta energy: -120.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 298
Temperature: 1.000000
Total energy: -1310.695578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1310.695578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1310.695578 (E_RNA)
where:
Base-Base interactions energy: -916.722
where: short stacking energy: -373.354
Base-Backbone interact. energy: -2.835
local terms energy: -391.139340
where:
bonds (distance) C4'-P energy: -67.203
bonds (distance) P-C4' energy: -68.395
flat angles C4'-P-C4' energy: -84.568
flat angles P-C4'-P energy: -64.086
tors. eta vs tors. theta energy: -106.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 298
Temperature: 1.050000
Total energy: -1192.632186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1192.632186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1192.632186 (E_RNA)
where:
Base-Base interactions energy: -806.523
where: short stacking energy: -340.780
Base-Backbone interact. energy: -0.740
local terms energy: -385.369117
where:
bonds (distance) C4'-P energy: -72.798
bonds (distance) P-C4' energy: -78.245
flat angles C4'-P-C4' energy: -88.112
flat angles P-C4'-P energy: -52.063
tors. eta vs tors. theta energy: -94.151
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: 4
=====================================
Write number: 298
Temperature: 1.100000
Total energy: -1100.725230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1100.725230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1100.725230 (E_RNA)
where:
Base-Base interactions energy: -744.674
where: short stacking energy: -316.372
Base-Backbone interact. energy: -1.103
local terms energy: -354.948188
where:
bonds (distance) C4'-P energy: -70.786
bonds (distance) P-C4' energy: -63.720
flat angles C4'-P-C4' energy: -84.596
flat angles P-C4'-P energy: -54.482
tors. eta vs tors. theta energy: -81.364
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: 8
=====================================
Write number: 298
Temperature: 1.150000
Total energy: -976.047440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -976.047440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -976.047440 (E_RNA)
where:
Base-Base interactions energy: -660.154
where: short stacking energy: -327.818
Base-Backbone interact. energy: -1.550
local terms energy: -314.343574
where:
bonds (distance) C4'-P energy: -54.823
bonds (distance) P-C4' energy: -64.398
flat angles C4'-P-C4' energy: -74.942
flat angles P-C4'-P energy: -43.086
tors. eta vs tors. theta energy: -77.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 298
Temperature: 1.200000
Total energy: -912.224016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -912.224016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -912.224016 (E_RNA)
where:
Base-Base interactions energy: -597.179
where: short stacking energy: -234.974
Base-Backbone interact. energy: -1.411
local terms energy: -313.634112
where:
bonds (distance) C4'-P energy: -68.608
bonds (distance) P-C4' energy: -68.888
flat angles C4'-P-C4' energy: -72.402
flat angles P-C4'-P energy: -50.878
tors. eta vs tors. theta energy: -52.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 298
Temperature: 1.250000
Total energy: -902.298235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -902.298235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -902.298235 (E_RNA)
where:
Base-Base interactions energy: -574.042
where: short stacking energy: -265.670
Base-Backbone interact. energy: 0.795
local terms energy: -329.051672
where:
bonds (distance) C4'-P energy: -54.603
bonds (distance) P-C4' energy: -72.194
flat angles C4'-P-C4' energy: -79.235
flat angles P-C4'-P energy: -39.074
tors. eta vs tors. theta energy: -83.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 298
Temperature: 1.300000
Total energy: -528.569445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.569445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.569445 (E_RNA)
where:
Base-Base interactions energy: -284.463
where: short stacking energy: -143.996
Base-Backbone interact. energy: 2.569
local terms energy: -246.675458
where:
bonds (distance) C4'-P energy: -58.996
bonds (distance) P-C4' energy: -66.027
flat angles C4'-P-C4' energy: -53.120
flat angles P-C4'-P energy: -47.670
tors. eta vs tors. theta energy: -20.862
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: 2
=====================================
Write number: 298
Temperature: 1.350000
Total energy: -397.759703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.759703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -397.759703 (E_RNA)
where:
Base-Base interactions energy: -218.385
where: short stacking energy: -129.254
Base-Backbone interact. energy: 2.954
local terms energy: -182.328981
where:
bonds (distance) C4'-P energy: -49.255
bonds (distance) P-C4' energy: -66.507
flat angles C4'-P-C4' energy: -52.531
flat angles P-C4'-P energy: -16.072
tors. eta vs tors. theta energy: 2.036
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: 7
=====================================
Write number: 299
Temperature: 0.900000
Total energy: -1405.881543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1405.881543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1405.881543 (E_RNA)
where:
Base-Base interactions energy: -968.577
where: short stacking energy: -419.054
Base-Backbone interact. energy: -0.051
local terms energy: -437.253247
where:
bonds (distance) C4'-P energy: -72.296
bonds (distance) P-C4' energy: -79.871
flat angles C4'-P-C4' energy: -91.866
flat angles P-C4'-P energy: -66.140
tors. eta vs tors. theta energy: -127.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 299
Temperature: 0.950000
Total energy: -1335.677657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1335.677657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1335.677657 (E_RNA)
where:
Base-Base interactions energy: -919.058
where: short stacking energy: -406.411
Base-Backbone interact. energy: -2.200
local terms energy: -414.419752
where:
bonds (distance) C4'-P energy: -68.826
bonds (distance) P-C4' energy: -71.422
flat angles C4'-P-C4' energy: -86.912
flat angles P-C4'-P energy: -62.612
tors. eta vs tors. theta energy: -124.649
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: 299
Temperature: 1.000000
Total energy: -1292.295111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1292.295111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1292.295111 (E_RNA)
where:
Base-Base interactions energy: -907.480
where: short stacking energy: -373.962
Base-Backbone interact. energy: -4.100
local terms energy: -380.715278
where:
bonds (distance) C4'-P energy: -72.113
bonds (distance) P-C4' energy: -78.486
flat angles C4'-P-C4' energy: -71.040
flat angles P-C4'-P energy: -55.418
tors. eta vs tors. theta energy: -103.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 299
Temperature: 1.050000
Total energy: -1217.136252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1217.136252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1217.136252 (E_RNA)
where:
Base-Base interactions energy: -833.806
where: short stacking energy: -346.982
Base-Backbone interact. energy: -1.629
local terms energy: -381.701255
where:
bonds (distance) C4'-P energy: -71.696
bonds (distance) P-C4' energy: -79.585
flat angles C4'-P-C4' energy: -75.642
flat angles P-C4'-P energy: -59.524
tors. eta vs tors. theta energy: -95.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 299
Temperature: 1.100000
Total energy: -1120.512163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1120.512163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1120.512163 (E_RNA)
where:
Base-Base interactions energy: -775.702
where: short stacking energy: -322.344
Base-Backbone interact. energy: -2.555
local terms energy: -342.255000
where:
bonds (distance) C4'-P energy: -68.665
bonds (distance) P-C4' energy: -72.022
flat angles C4'-P-C4' energy: -68.512
flat angles P-C4'-P energy: -47.964
tors. eta vs tors. theta energy: -85.093
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: 8
=====================================
Write number: 299
Temperature: 1.150000
Total energy: -979.449570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -979.449570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -979.449570 (E_RNA)
where:
Base-Base interactions energy: -638.190
where: short stacking energy: -316.496
Base-Backbone interact. energy: -1.241
local terms energy: -340.017782
where:
bonds (distance) C4'-P energy: -52.959
bonds (distance) P-C4' energy: -80.813
flat angles C4'-P-C4' energy: -77.059
flat angles P-C4'-P energy: -51.286
tors. eta vs tors. theta energy: -77.901
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: 7, replica: 10
=====================================
Write number: 299
Temperature: 1.200000
Total energy: -941.034148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -941.034148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -941.034148 (E_RNA)
where:
Base-Base interactions energy: -654.191
where: short stacking energy: -281.449
Base-Backbone interact. energy: 0.723
local terms energy: -287.565990
where:
bonds (distance) C4'-P energy: -58.204
bonds (distance) P-C4' energy: -65.815
flat angles C4'-P-C4' energy: -68.391
flat angles P-C4'-P energy: -37.390
tors. eta vs tors. theta energy: -57.766
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: 299
Temperature: 1.250000
Total energy: -876.830794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -876.830794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -876.830794 (E_RNA)
where:
Base-Base interactions energy: -582.193
where: short stacking energy: -270.948
Base-Backbone interact. energy: -0.419
local terms energy: -294.218761
where:
bonds (distance) C4'-P energy: -43.338
bonds (distance) P-C4' energy: -79.245
flat angles C4'-P-C4' energy: -71.233
flat angles P-C4'-P energy: -39.361
tors. eta vs tors. theta energy: -61.042
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: 6
=====================================
Write number: 299
Temperature: 1.300000
Total energy: -524.206815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.206815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.206815 (E_RNA)
where:
Base-Base interactions energy: -293.904
where: short stacking energy: -165.482
Base-Backbone interact. energy: -0.298
local terms energy: -230.005237
where:
bonds (distance) C4'-P energy: -68.517
bonds (distance) P-C4' energy: -67.733
flat angles C4'-P-C4' energy: -42.931
flat angles P-C4'-P energy: -26.754
tors. eta vs tors. theta energy: -24.071
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: 2
=====================================
Write number: 299
Temperature: 1.350000
Total energy: -360.481251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.481251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.481251 (E_RNA)
where:
Base-Base interactions energy: -177.865
where: short stacking energy: -88.900
Base-Backbone interact. energy: -0.007
local terms energy: -182.609970
where:
bonds (distance) C4'-P energy: -49.903
bonds (distance) P-C4' energy: -67.754
flat angles C4'-P-C4' energy: -54.439
flat angles P-C4'-P energy: -25.415
tors. eta vs tors. theta energy: 14.901
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: 1, replica: 7
=====================================
Write number: 300
Temperature: 0.900000
Total energy: -1384.858131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1384.858131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1384.858131 (E_RNA)
where:
Base-Base interactions energy: -946.712
where: short stacking energy: -395.789
Base-Backbone interact. energy: -1.305
local terms energy: -436.840830
where:
bonds (distance) C4'-P energy: -74.604
bonds (distance) P-C4' energy: -81.961
flat angles C4'-P-C4' energy: -86.267
flat angles P-C4'-P energy: -66.056
tors. eta vs tors. theta energy: -127.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 300
Temperature: 0.950000
Total energy: -1327.766439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1327.766439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1327.766439 (E_RNA)
where:
Base-Base interactions energy: -909.832
where: short stacking energy: -402.022
Base-Backbone interact. energy: -1.828
local terms energy: -416.106599
where:
bonds (distance) C4'-P energy: -74.193
bonds (distance) P-C4' energy: -70.806
flat angles C4'-P-C4' energy: -85.834
flat angles P-C4'-P energy: -62.090
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: 5
=====================================
Write number: 300
Temperature: 1.000000
Total energy: -1292.612811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1292.612811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1292.612811 (E_RNA)
where:
Base-Base interactions energy: -907.478
where: short stacking energy: -370.866
Base-Backbone interact. energy: -2.346
local terms energy: -382.789153
where:
bonds (distance) C4'-P energy: -79.434
bonds (distance) P-C4' energy: -69.473
flat angles C4'-P-C4' energy: -71.623
flat angles P-C4'-P energy: -54.918
tors. eta vs tors. theta energy: -107.341
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: 9
=====================================
Write number: 300
Temperature: 1.050000
Total energy: -1186.535707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1186.535707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1186.535707 (E_RNA)
where:
Base-Base interactions energy: -826.565
where: short stacking energy: -366.081
Base-Backbone interact. energy: -3.194
local terms energy: -356.776737
where:
bonds (distance) C4'-P energy: -69.243
bonds (distance) P-C4' energy: -74.572
flat angles C4'-P-C4' energy: -69.545
flat angles P-C4'-P energy: -49.387
tors. eta vs tors. theta energy: -94.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 300
Temperature: 1.100000
Total energy: -1158.538684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1158.538684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1158.538684 (E_RNA)
where:
Base-Base interactions energy: -828.545
where: short stacking energy: -313.730
Base-Backbone interact. energy: -1.693
local terms energy: -328.300023
where:
bonds (distance) C4'-P energy: -65.543
bonds (distance) P-C4' energy: -71.755
flat angles C4'-P-C4' energy: -67.543
flat angles P-C4'-P energy: -46.877
tors. eta vs tors. theta energy: -76.582
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: 6, replica: 8
=====================================
Write number: 300
Temperature: 1.150000
Total energy: -945.938656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -945.938656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -945.938656 (E_RNA)
where:
Base-Base interactions energy: -622.117
where: short stacking energy: -281.836
Base-Backbone interact. energy: 0.145
local terms energy: -323.966368
where:
bonds (distance) C4'-P energy: -57.387
bonds (distance) P-C4' energy: -72.538
flat angles C4'-P-C4' energy: -72.026
flat angles P-C4'-P energy: -52.022
tors. eta vs tors. theta energy: -69.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 300
Temperature: 1.200000
Total energy: -890.426413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -890.426413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -890.426413 (E_RNA)
where:
Base-Base interactions energy: -589.969
where: short stacking energy: -249.884
Base-Backbone interact. energy: -1.334
local terms energy: -299.123138
where:
bonds (distance) C4'-P energy: -66.619
bonds (distance) P-C4' energy: -75.505
flat angles C4'-P-C4' energy: -69.823
flat angles P-C4'-P energy: -41.916
tors. eta vs tors. theta energy: -45.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 300
Temperature: 1.250000
Total energy: -817.503625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -817.503625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -817.503625 (E_RNA)
where:
Base-Base interactions energy: -498.828
where: short stacking energy: -234.799
Base-Backbone interact. energy: 3.918
local terms energy: -322.593495
where:
bonds (distance) C4'-P energy: -69.728
bonds (distance) P-C4' energy: -68.523
flat angles C4'-P-C4' energy: -76.881
flat angles P-C4'-P energy: -51.681
tors. eta vs tors. theta energy: -55.781
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: 6
=====================================
Write number: 300
Temperature: 1.300000
Total energy: -546.736620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.736620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.736620 (E_RNA)
where:
Base-Base interactions energy: -316.498
where: short stacking energy: -158.235
Base-Backbone interact. energy: 0.861
local terms energy: -231.099630
where:
bonds (distance) C4'-P energy: -62.317
bonds (distance) P-C4' energy: -56.900
flat angles C4'-P-C4' energy: -57.569
flat angles P-C4'-P energy: -36.557
tors. eta vs tors. theta energy: -17.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 300
Temperature: 1.350000
Total energy: -423.370076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.370076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.370076 (E_RNA)
where:
Base-Base interactions energy: -223.553
where: short stacking energy: -115.140
Base-Backbone interact. energy: 6.869
local terms energy: -206.686743
where:
bonds (distance) C4'-P energy: -66.043
bonds (distance) P-C4' energy: -73.378
flat angles C4'-P-C4' energy: -43.562
flat angles P-C4'-P energy: -26.878
tors. eta vs tors. theta energy: 3.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 301
Temperature: 0.900000
Total energy: -1393.403519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1393.403519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1393.403519 (E_RNA)
where:
Base-Base interactions energy: -965.550
where: short stacking energy: -409.568
Base-Backbone interact. energy: -0.937
local terms energy: -426.916322
where:
bonds (distance) C4'-P energy: -72.795
bonds (distance) P-C4' energy: -82.903
flat angles C4'-P-C4' energy: -86.223
flat angles P-C4'-P energy: -63.874
tors. eta vs tors. theta energy: -121.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 301
Temperature: 0.950000
Total energy: -1342.701977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1342.701977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1342.701977 (E_RNA)
where:
Base-Base interactions energy: -920.688
where: short stacking energy: -408.312
Base-Backbone interact. energy: -1.276
local terms energy: -420.738701
where:
bonds (distance) C4'-P energy: -72.823
bonds (distance) P-C4' energy: -85.826
flat angles C4'-P-C4' energy: -90.906
flat angles P-C4'-P energy: -54.673
tors. eta vs tors. theta energy: -116.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 301
Temperature: 1.000000
Total energy: -1325.908233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1325.908233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1325.908233 (E_RNA)
where:
Base-Base interactions energy: -922.003
where: short stacking energy: -379.216
Base-Backbone interact. energy: -2.262
local terms energy: -401.643191
where:
bonds (distance) C4'-P energy: -68.238
bonds (distance) P-C4' energy: -75.565
flat angles C4'-P-C4' energy: -92.016
flat angles P-C4'-P energy: -52.102
tors. eta vs tors. theta energy: -113.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 301
Temperature: 1.050000
Total energy: -1178.567985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1178.567985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1178.567985 (E_RNA)
where:
Base-Base interactions energy: -816.213
where: short stacking energy: -365.836
Base-Backbone interact. energy: -0.314
local terms energy: -362.041865
where:
bonds (distance) C4'-P energy: -57.919
bonds (distance) P-C4' energy: -79.943
flat angles C4'-P-C4' energy: -82.518
flat angles P-C4'-P energy: -47.989
tors. eta vs tors. theta energy: -93.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 301
Temperature: 1.100000
Total energy: -1109.916424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1109.916424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1109.916424 (E_RNA)
where:
Base-Base interactions energy: -769.104
where: short stacking energy: -318.924
Base-Backbone interact. energy: -3.269
local terms energy: -337.543306
where:
bonds (distance) C4'-P energy: -58.822
bonds (distance) P-C4' energy: -65.103
flat angles C4'-P-C4' energy: -80.504
flat angles P-C4'-P energy: -55.022
tors. eta vs tors. theta energy: -78.092
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: 8
=====================================
Write number: 301
Temperature: 1.150000
Total energy: -963.354590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -963.354590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -963.354590 (E_RNA)
where:
Base-Base interactions energy: -629.871
where: short stacking energy: -287.696
Base-Backbone interact. energy: -2.139
local terms energy: -331.344647
where:
bonds (distance) C4'-P energy: -66.634
bonds (distance) P-C4' energy: -65.570
flat angles C4'-P-C4' energy: -82.029
flat angles P-C4'-P energy: -49.164
tors. eta vs tors. theta energy: -67.947
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: 10
=====================================
Write number: 301
Temperature: 1.200000
Total energy: -905.931836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -905.931836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -905.931836 (E_RNA)
where:
Base-Base interactions energy: -614.231
where: short stacking energy: -261.422
Base-Backbone interact. energy: -2.247
local terms energy: -289.454466
where:
bonds (distance) C4'-P energy: -58.803
bonds (distance) P-C4' energy: -63.066
flat angles C4'-P-C4' energy: -66.626
flat angles P-C4'-P energy: -50.737
tors. eta vs tors. theta energy: -50.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 301
Temperature: 1.250000
Total energy: -829.625802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -829.625802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -829.625802 (E_RNA)
where:
Base-Base interactions energy: -532.654
where: short stacking energy: -223.521
Base-Backbone interact. energy: -2.937
local terms energy: -294.034210
where:
bonds (distance) C4'-P energy: -57.019
bonds (distance) P-C4' energy: -60.043
flat angles C4'-P-C4' energy: -69.774
flat angles P-C4'-P energy: -54.527
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: 9, replica: 6
=====================================
Write number: 301
Temperature: 1.300000
Total energy: -553.648696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.648696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.648696 (E_RNA)
where:
Base-Base interactions energy: -322.243
where: short stacking energy: -173.591
Base-Backbone interact. energy: 0.158
local terms energy: -231.563923
where:
bonds (distance) C4'-P energy: -64.773
bonds (distance) P-C4' energy: -62.913
flat angles C4'-P-C4' energy: -47.314
flat angles P-C4'-P energy: -38.278
tors. eta vs tors. theta energy: -18.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 301
Temperature: 1.350000
Total energy: -384.048377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.048377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.048377 (E_RNA)
where:
Base-Base interactions energy: -180.424
where: short stacking energy: -93.331
Base-Backbone interact. energy: 1.155
local terms energy: -205.681383
where:
bonds (distance) C4'-P energy: -63.759
bonds (distance) P-C4' energy: -66.940
flat angles C4'-P-C4' energy: -64.009
flat angles P-C4'-P energy: -27.018
tors. eta vs tors. theta energy: 16.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.902 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 302
Temperature: 0.900000
Total energy: -1390.083897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1390.083897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1390.083897 (E_RNA)
where:
Base-Base interactions energy: -962.919
where: short stacking energy: -415.129
Base-Backbone interact. energy: -2.998
local terms energy: -424.167105
where:
bonds (distance) C4'-P energy: -80.281
bonds (distance) P-C4' energy: -68.238
flat angles C4'-P-C4' energy: -86.273
flat angles P-C4'-P energy: -62.152
tors. eta vs tors. theta energy: -127.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 302
Temperature: 0.950000
Total energy: -1348.192977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1348.192977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1348.192977 (E_RNA)
where:
Base-Base interactions energy: -930.171
where: short stacking energy: -408.830
Base-Backbone interact. energy: -1.682
local terms energy: -416.339841
where:
bonds (distance) C4'-P energy: -68.357
bonds (distance) P-C4' energy: -71.739
flat angles C4'-P-C4' energy: -98.509
flat angles P-C4'-P energy: -55.905
tors. eta vs tors. theta energy: -121.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 302
Temperature: 1.000000
Total energy: -1319.870430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1319.870430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1319.870430 (E_RNA)
where:
Base-Base interactions energy: -912.046
where: short stacking energy: -388.298
Base-Backbone interact. energy: -0.828
local terms energy: -406.996160
where:
bonds (distance) C4'-P energy: -74.559
bonds (distance) P-C4' energy: -76.096
flat angles C4'-P-C4' energy: -84.932
flat angles P-C4'-P energy: -56.860
tors. eta vs tors. theta energy: -114.549
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: 9
=====================================
Write number: 302
Temperature: 1.050000
Total energy: -1190.067528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1190.067528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1190.067528 (E_RNA)
where:
Base-Base interactions energy: -821.085
where: short stacking energy: -362.308
Base-Backbone interact. energy: -1.172
local terms energy: -367.809806
where:
bonds (distance) C4'-P energy: -67.384
bonds (distance) P-C4' energy: -67.987
flat angles C4'-P-C4' energy: -86.626
flat angles P-C4'-P energy: -49.787
tors. eta vs tors. theta energy: -96.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 302
Temperature: 1.100000
Total energy: -1123.893695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1123.893695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1123.893695 (E_RNA)
where:
Base-Base interactions energy: -758.661
where: short stacking energy: -318.180
Base-Backbone interact. energy: -1.891
local terms energy: -363.342148
where:
bonds (distance) C4'-P energy: -62.526
bonds (distance) P-C4' energy: -76.869
flat angles C4'-P-C4' energy: -81.813
flat angles P-C4'-P energy: -51.261
tors. eta vs tors. theta energy: -90.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 302
Temperature: 1.150000
Total energy: -939.226334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -939.226334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -939.226334 (E_RNA)
where:
Base-Base interactions energy: -602.370
where: short stacking energy: -273.704
Base-Backbone interact. energy: 0.456
local terms energy: -337.312959
where:
bonds (distance) C4'-P energy: -68.805
bonds (distance) P-C4' energy: -73.869
flat angles C4'-P-C4' energy: -76.355
flat angles P-C4'-P energy: -41.127
tors. eta vs tors. theta energy: -77.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 302
Temperature: 1.200000
Total energy: -905.406653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -905.406653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -905.406653 (E_RNA)
where:
Base-Base interactions energy: -593.427
where: short stacking energy: -292.122
Base-Backbone interact. energy: -1.145
local terms energy: -310.835119
where:
bonds (distance) C4'-P energy: -52.853
bonds (distance) P-C4' energy: -74.512
flat angles C4'-P-C4' energy: -62.775
flat angles P-C4'-P energy: -52.762
tors. eta vs tors. theta energy: -67.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 302
Temperature: 1.250000
Total energy: -845.531258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -845.531258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -845.531258 (E_RNA)
where:
Base-Base interactions energy: -576.915
where: short stacking energy: -234.231
Base-Backbone interact. energy: -1.253
local terms energy: -267.363152
where:
bonds (distance) C4'-P energy: -71.270
bonds (distance) P-C4' energy: -64.154
flat angles C4'-P-C4' energy: -60.223
flat angles P-C4'-P energy: -37.095
tors. eta vs tors. theta energy: -34.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 302
Temperature: 1.300000
Total energy: -573.112671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -573.112671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -573.112671 (E_RNA)
where:
Base-Base interactions energy: -335.627
where: short stacking energy: -189.010
Base-Backbone interact. energy: -0.578
local terms energy: -236.907227
where:
bonds (distance) C4'-P energy: -56.944
bonds (distance) P-C4' energy: -70.522
flat angles C4'-P-C4' energy: -41.729
flat angles P-C4'-P energy: -36.396
tors. eta vs tors. theta energy: -31.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 302
Temperature: 1.350000
Total energy: -378.785981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -378.785981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -378.785981 (E_RNA)
where:
Base-Base interactions energy: -176.042
where: short stacking energy: -101.267
Base-Backbone interact. energy: -1.776
local terms energy: -200.968419
where:
bonds (distance) C4'-P energy: -62.208
bonds (distance) P-C4' energy: -72.049
flat angles C4'-P-C4' energy: -50.733
flat angles P-C4'-P energy: -24.711
tors. eta vs tors. theta energy: 8.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 303
Temperature: 0.900000
Total energy: -1384.873990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1384.873990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1384.873990 (E_RNA)
where:
Base-Base interactions energy: -962.600
where: short stacking energy: -404.788
Base-Backbone interact. energy: -0.775
local terms energy: -421.499371
where:
bonds (distance) C4'-P energy: -83.395
bonds (distance) P-C4' energy: -71.105
flat angles C4'-P-C4' energy: -82.659
flat angles P-C4'-P energy: -63.543
tors. eta vs tors. theta energy: -120.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 303
Temperature: 0.950000
Total energy: -1310.531447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1310.531447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1310.531447 (E_RNA)
where:
Base-Base interactions energy: -920.670
where: short stacking energy: -388.672
Base-Backbone interact. energy: 0.517
local terms energy: -390.378129
where:
bonds (distance) C4'-P energy: -70.823
bonds (distance) P-C4' energy: -72.773
flat angles C4'-P-C4' energy: -90.158
flat angles P-C4'-P energy: -49.120
tors. eta vs tors. theta energy: -107.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 303
Temperature: 1.000000
Total energy: -1290.992324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1290.992324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1290.992324 (E_RNA)
where:
Base-Base interactions energy: -895.378
where: short stacking energy: -376.045
Base-Backbone interact. energy: -0.059
local terms energy: -395.554607
where:
bonds (distance) C4'-P energy: -62.975
bonds (distance) P-C4' energy: -79.409
flat angles C4'-P-C4' energy: -84.146
flat angles P-C4'-P energy: -54.135
tors. eta vs tors. theta energy: -114.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 303
Temperature: 1.050000
Total energy: -1128.805724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1128.805724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1128.805724 (E_RNA)
where:
Base-Base interactions energy: -782.169
where: short stacking energy: -323.928
Base-Backbone interact. energy: -0.999
local terms energy: -345.637383
where:
bonds (distance) C4'-P energy: -65.012
bonds (distance) P-C4' energy: -68.320
flat angles C4'-P-C4' energy: -72.210
flat angles P-C4'-P energy: -55.523
tors. eta vs tors. theta energy: -84.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 303
Temperature: 1.100000
Total energy: -1157.253685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1157.253685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1157.253685 (E_RNA)
where:
Base-Base interactions energy: -792.892
where: short stacking energy: -320.186
Base-Backbone interact. energy: -1.453
local terms energy: -362.909451
where:
bonds (distance) C4'-P energy: -68.038
bonds (distance) P-C4' energy: -67.312
flat angles C4'-P-C4' energy: -84.476
flat angles P-C4'-P energy: -47.741
tors. eta vs tors. theta energy: -95.342
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: 303
Temperature: 1.150000
Total energy: -987.395977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -987.395977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -987.395977 (E_RNA)
where:
Base-Base interactions energy: -633.565
where: short stacking energy: -285.302
Base-Backbone interact. energy: -1.421
local terms energy: -352.410323
where:
bonds (distance) C4'-P energy: -72.013
bonds (distance) P-C4' energy: -83.186
flat angles C4'-P-C4' energy: -71.373
flat angles P-C4'-P energy: -41.699
tors. eta vs tors. theta energy: -84.139
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: 303
Temperature: 1.200000
Total energy: -907.425185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -907.425185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -907.425185 (E_RNA)
where:
Base-Base interactions energy: -589.735
where: short stacking energy: -277.691
Base-Backbone interact. energy: -0.477
local terms energy: -318.097419
where:
bonds (distance) C4'-P energy: -65.576
bonds (distance) P-C4' energy: -76.104
flat angles C4'-P-C4' energy: -68.803
flat angles P-C4'-P energy: -41.387
tors. eta vs tors. theta energy: -66.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.884 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 303
Temperature: 1.250000
Total energy: -875.216964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -875.216964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -875.216964 (E_RNA)
where:
Base-Base interactions energy: -578.997
where: short stacking energy: -252.653
Base-Backbone interact. energy: -3.872
local terms energy: -292.347875
where:
bonds (distance) C4'-P energy: -63.061
bonds (distance) P-C4' energy: -66.511
flat angles C4'-P-C4' energy: -58.424
flat angles P-C4'-P energy: -46.974
tors. eta vs tors. theta energy: -57.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 303
Temperature: 1.300000
Total energy: -579.409155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -579.409155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -579.409155 (E_RNA)
where:
Base-Base interactions energy: -323.136
where: short stacking energy: -171.763
Base-Backbone interact. energy: -0.282
local terms energy: -255.991531
where:
bonds (distance) C4'-P energy: -57.691
bonds (distance) P-C4' energy: -72.182
flat angles C4'-P-C4' energy: -72.202
flat angles P-C4'-P energy: -30.900
tors. eta vs tors. theta energy: -23.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 303
Temperature: 1.350000
Total energy: -423.244114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.244114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.244114 (E_RNA)
where:
Base-Base interactions energy: -210.291
where: short stacking energy: -111.387
Base-Backbone interact. energy: -1.165
local terms energy: -211.788388
where:
bonds (distance) C4'-P energy: -50.511
bonds (distance) P-C4' energy: -68.478
flat angles C4'-P-C4' energy: -50.244
flat angles P-C4'-P energy: -44.060
tors. eta vs tors. theta energy: 1.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 304
Temperature: 0.900000
Total energy: -1385.225721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1385.225721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1385.225721 (E_RNA)
where:
Base-Base interactions energy: -952.820
where: short stacking energy: -396.252
Base-Backbone interact. energy: -1.099
local terms energy: -431.306555
where:
bonds (distance) C4'-P energy: -83.241
bonds (distance) P-C4' energy: -77.981
flat angles C4'-P-C4' energy: -89.824
flat angles P-C4'-P energy: -59.776
tors. eta vs tors. theta energy: -120.485
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: 2, replica: 3
=====================================
Write number: 304
Temperature: 0.950000
Total energy: -1339.919988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1339.919988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1339.919988 (E_RNA)
where:
Base-Base interactions energy: -936.557
where: short stacking energy: -392.351
Base-Backbone interact. energy: 1.383
local terms energy: -404.745083
where:
bonds (distance) C4'-P energy: -74.845
bonds (distance) P-C4' energy: -77.001
flat angles C4'-P-C4' energy: -89.291
flat angles P-C4'-P energy: -55.679
tors. eta vs tors. theta energy: -107.930
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: 304
Temperature: 1.000000
Total energy: -1309.257336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1309.257336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1309.257336 (E_RNA)
where:
Base-Base interactions energy: -916.900
where: short stacking energy: -375.607
Base-Backbone interact. energy: 0.054
local terms energy: -392.411776
where:
bonds (distance) C4'-P energy: -75.222
bonds (distance) P-C4' energy: -67.709
flat angles C4'-P-C4' energy: -82.906
flat angles P-C4'-P energy: -59.569
tors. eta vs tors. theta energy: -107.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 304
Temperature: 1.050000
Total energy: -1113.370470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1113.370470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1113.370470 (E_RNA)
where:
Base-Base interactions energy: -758.605
where: short stacking energy: -339.803
Base-Backbone interact. energy: 0.588
local terms energy: -355.352519
where:
bonds (distance) C4'-P energy: -61.693
bonds (distance) P-C4' energy: -83.969
flat angles C4'-P-C4' energy: -77.620
flat angles P-C4'-P energy: -43.867
tors. eta vs tors. theta energy: -88.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 304
Temperature: 1.100000
Total energy: -1180.816479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1180.816479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1180.816479 (E_RNA)
where:
Base-Base interactions energy: -814.751
where: short stacking energy: -336.509
Base-Backbone interact. energy: -1.132
local terms energy: -364.932790
where:
bonds (distance) C4'-P energy: -70.063
bonds (distance) P-C4' energy: -72.363
flat angles C4'-P-C4' energy: -84.619
flat angles P-C4'-P energy: -42.083
tors. eta vs tors. theta energy: -95.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 304
Temperature: 1.150000
Total energy: -950.370148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -950.370148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -950.370148 (E_RNA)
where:
Base-Base interactions energy: -626.147
where: short stacking energy: -284.294
Base-Backbone interact. energy: -1.241
local terms energy: -322.981940
where:
bonds (distance) C4'-P energy: -76.906
bonds (distance) P-C4' energy: -66.481
flat angles C4'-P-C4' energy: -75.490
flat angles P-C4'-P energy: -48.290
tors. eta vs tors. theta energy: -55.815
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: 304
Temperature: 1.200000
Total energy: -948.076348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -948.076348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -948.076348 (E_RNA)
where:
Base-Base interactions energy: -612.482
where: short stacking energy: -285.398
Base-Backbone interact. energy: -1.081
local terms energy: -334.513623
where:
bonds (distance) C4'-P energy: -58.652
bonds (distance) P-C4' energy: -75.500
flat angles C4'-P-C4' energy: -74.125
flat angles P-C4'-P energy: -42.900
tors. eta vs tors. theta energy: -83.337
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: 10
=====================================
Write number: 304
Temperature: 1.250000
Total energy: -818.585887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -818.585887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -818.585887 (E_RNA)
where:
Base-Base interactions energy: -541.220
where: short stacking energy: -221.345
Base-Backbone interact. energy: 3.322
local terms energy: -280.688293
where:
bonds (distance) C4'-P energy: -68.184
bonds (distance) P-C4' energy: -59.326
flat angles C4'-P-C4' energy: -64.916
flat angles P-C4'-P energy: -50.332
tors. eta vs tors. theta energy: -37.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 304
Temperature: 1.300000
Total energy: -568.694945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -568.694945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -568.694945 (E_RNA)
where:
Base-Base interactions energy: -328.035
where: short stacking energy: -159.747
Base-Backbone interact. energy: -1.873
local terms energy: -238.787035
where:
bonds (distance) C4'-P energy: -54.591
bonds (distance) P-C4' energy: -63.586
flat angles C4'-P-C4' energy: -66.296
flat angles P-C4'-P energy: -30.467
tors. eta vs tors. theta energy: -23.847
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: 10, replica: 2
=====================================
Write number: 304
Temperature: 1.350000
Total energy: -455.476919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.476919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.476919 (E_RNA)
where:
Base-Base interactions energy: -255.187
where: short stacking energy: -153.129
Base-Backbone interact. energy: 3.709
local terms energy: -203.998852
where:
bonds (distance) C4'-P energy: -57.531
bonds (distance) P-C4' energy: -49.598
flat angles C4'-P-C4' energy: -53.926
flat angles P-C4'-P energy: -35.684
tors. eta vs tors. theta energy: -7.260
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: 7
=====================================
Write number: 305
Temperature: 0.900000
Total energy: -1399.678350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1399.678350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1399.678350 (E_RNA)
where:
Base-Base interactions energy: -974.747
where: short stacking energy: -409.903
Base-Backbone interact. energy: -1.793
local terms energy: -423.138425
where:
bonds (distance) C4'-P energy: -75.036
bonds (distance) P-C4' energy: -81.297
flat angles C4'-P-C4' energy: -87.753
flat angles P-C4'-P energy: -60.643
tors. eta vs tors. theta energy: -118.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 305
Temperature: 0.950000
Total energy: -1320.994890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1320.994890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1320.994890 (E_RNA)
where:
Base-Base interactions energy: -896.511
where: short stacking energy: -393.399
Base-Backbone interact. energy: -1.092
local terms energy: -423.391901
where:
bonds (distance) C4'-P energy: -73.508
bonds (distance) P-C4' energy: -85.657
flat angles C4'-P-C4' energy: -94.562
flat angles P-C4'-P energy: -58.537
tors. eta vs tors. theta energy: -111.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 305
Temperature: 1.000000
Total energy: -1319.139947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1319.139947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1319.139947 (E_RNA)
where:
Base-Base interactions energy: -932.153
where: short stacking energy: -378.616
Base-Backbone interact. energy: -3.103
local terms energy: -383.884284
where:
bonds (distance) C4'-P energy: -67.382
bonds (distance) P-C4' energy: -72.458
flat angles C4'-P-C4' energy: -82.502
flat angles P-C4'-P energy: -55.797
tors. eta vs tors. theta energy: -105.746
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: 9
=====================================
Write number: 305
Temperature: 1.050000
Total energy: -1208.671562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1208.671562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1208.671562 (E_RNA)
where:
Base-Base interactions energy: -829.999
where: short stacking energy: -358.001
Base-Backbone interact. energy: -1.371
local terms energy: -377.300880
where:
bonds (distance) C4'-P energy: -77.388
bonds (distance) P-C4' energy: -67.587
flat angles C4'-P-C4' energy: -89.676
flat angles P-C4'-P energy: -40.469
tors. eta vs tors. theta energy: -102.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 305
Temperature: 1.100000
Total energy: -1088.758301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1088.758301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1088.758301 (E_RNA)
where:
Base-Base interactions energy: -730.949
where: short stacking energy: -314.848
Base-Backbone interact. energy: -2.586
local terms energy: -355.223200
where:
bonds (distance) C4'-P energy: -64.729
bonds (distance) P-C4' energy: -83.826
flat angles C4'-P-C4' energy: -73.380
flat angles P-C4'-P energy: -52.763
tors. eta vs tors. theta energy: -80.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 305
Temperature: 1.150000
Total energy: -1010.634299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1010.634299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1010.634299 (E_RNA)
where:
Base-Base interactions energy: -674.330
where: short stacking energy: -299.166
Base-Backbone interact. energy: -2.057
local terms energy: -334.247435
where:
bonds (distance) C4'-P energy: -73.167
bonds (distance) P-C4' energy: -64.925
flat angles C4'-P-C4' energy: -67.014
flat angles P-C4'-P energy: -45.971
tors. eta vs tors. theta energy: -83.171
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: 8
=====================================
Write number: 305
Temperature: 1.200000
Total energy: -932.376820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -932.376820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -932.376820 (E_RNA)
where:
Base-Base interactions energy: -613.352
where: short stacking energy: -281.175
Base-Backbone interact. energy: -1.120
local terms energy: -317.904736
where:
bonds (distance) C4'-P energy: -71.383
bonds (distance) P-C4' energy: -67.465
flat angles C4'-P-C4' energy: -76.373
flat angles P-C4'-P energy: -37.908
tors. eta vs tors. theta energy: -64.775
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: 10
=====================================
Write number: 305
Temperature: 1.250000
Total energy: -792.483474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -792.483474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -792.483474 (E_RNA)
where:
Base-Base interactions energy: -491.396
where: short stacking energy: -214.540
Base-Backbone interact. energy: -4.116
local terms energy: -296.971667
where:
bonds (distance) C4'-P energy: -74.917
bonds (distance) P-C4' energy: -72.312
flat angles C4'-P-C4' energy: -66.415
flat angles P-C4'-P energy: -47.765
tors. eta vs tors. theta energy: -35.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 305
Temperature: 1.300000
Total energy: -583.284982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -583.284982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -583.284982 (E_RNA)
where:
Base-Base interactions energy: -331.106
where: short stacking energy: -168.599
Base-Backbone interact. energy: 0.420
local terms energy: -252.598415
where:
bonds (distance) C4'-P energy: -63.511
bonds (distance) P-C4' energy: -62.741
flat angles C4'-P-C4' energy: -58.025
flat angles P-C4'-P energy: -43.243
tors. eta vs tors. theta energy: -25.079
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: 2
=====================================
Write number: 305
Temperature: 1.350000
Total energy: -470.876543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.876543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.876543 (E_RNA)
where:
Base-Base interactions energy: -243.385
where: short stacking energy: -138.630
Base-Backbone interact. energy: 0.391
local terms energy: -227.882629
where:
bonds (distance) C4'-P energy: -53.282
bonds (distance) P-C4' energy: -64.947
flat angles C4'-P-C4' energy: -68.249
flat angles P-C4'-P energy: -24.545
tors. eta vs tors. theta energy: -16.859
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: 7
=====================================
Write number: 306
Temperature: 0.900000
Total energy: -1388.608903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1388.608903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1388.608903 (E_RNA)
where:
Base-Base interactions energy: -974.072
where: short stacking energy: -396.351
Base-Backbone interact. energy: -0.375
local terms energy: -414.162548
where:
bonds (distance) C4'-P energy: -71.151
bonds (distance) P-C4' energy: -79.761
flat angles C4'-P-C4' energy: -82.323
flat angles P-C4'-P energy: -59.263
tors. eta vs tors. theta energy: -121.665
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: 2, replica: 3
=====================================
Write number: 306
Temperature: 0.950000
Total energy: -1339.274695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1339.274695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1339.274695 (E_RNA)
where:
Base-Base interactions energy: -929.950
where: short stacking energy: -392.519
Base-Backbone interact. energy: -1.190
local terms energy: -408.135201
where:
bonds (distance) C4'-P energy: -73.328
bonds (distance) P-C4' energy: -74.154
flat angles C4'-P-C4' energy: -87.608
flat angles P-C4'-P energy: -55.740
tors. eta vs tors. theta energy: -117.305
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: 306
Temperature: 1.000000
Total energy: -1324.932472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1324.932472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1324.932472 (E_RNA)
where:
Base-Base interactions energy: -921.813
where: short stacking energy: -385.242
Base-Backbone interact. energy: -0.292
local terms energy: -402.827691
where:
bonds (distance) C4'-P energy: -68.139
bonds (distance) P-C4' energy: -72.766
flat angles C4'-P-C4' energy: -90.646
flat angles P-C4'-P energy: -58.594
tors. eta vs tors. theta energy: -112.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 306
Temperature: 1.050000
Total energy: -1187.908108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1187.908108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1187.908108 (E_RNA)
where:
Base-Base interactions energy: -833.890
where: short stacking energy: -341.745
Base-Backbone interact. energy: -2.760
local terms energy: -351.258764
where:
bonds (distance) C4'-P energy: -72.814
bonds (distance) P-C4' energy: -65.783
flat angles C4'-P-C4' energy: -64.678
flat angles P-C4'-P energy: -47.753
tors. eta vs tors. theta energy: -100.232
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: 4
=====================================
Write number: 306
Temperature: 1.100000
Total energy: -1068.787590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1068.787590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1068.787590 (E_RNA)
where:
Base-Base interactions energy: -727.505
where: short stacking energy: -308.798
Base-Backbone interact. energy: -2.578
local terms energy: -338.703670
where:
bonds (distance) C4'-P energy: -63.835
bonds (distance) P-C4' energy: -71.403
flat angles C4'-P-C4' energy: -74.782
flat angles P-C4'-P energy: -51.406
tors. eta vs tors. theta energy: -77.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 306
Temperature: 1.150000
Total energy: -1025.317461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1025.317461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1025.317461 (E_RNA)
where:
Base-Base interactions energy: -672.401
where: short stacking energy: -300.826
Base-Backbone interact. energy: 1.240
local terms energy: -354.155986
where:
bonds (distance) C4'-P energy: -71.401
bonds (distance) P-C4' energy: -74.578
flat angles C4'-P-C4' energy: -79.006
flat angles P-C4'-P energy: -42.109
tors. eta vs tors. theta energy: -87.062
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: 8
=====================================
Write number: 306
Temperature: 1.200000
Total energy: -935.565103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -935.565103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -935.565103 (E_RNA)
where:
Base-Base interactions energy: -622.435
where: short stacking energy: -271.124
Base-Backbone interact. energy: -2.202
local terms energy: -310.928153
where:
bonds (distance) C4'-P energy: -63.857
bonds (distance) P-C4' energy: -64.607
flat angles C4'-P-C4' energy: -75.422
flat angles P-C4'-P energy: -40.426
tors. eta vs tors. theta energy: -66.616
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: 10
=====================================
Write number: 306
Temperature: 1.250000
Total energy: -814.437435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -814.437435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -814.437435 (E_RNA)
where:
Base-Base interactions energy: -536.687
where: short stacking energy: -229.909
Base-Backbone interact. energy: -3.754
local terms energy: -273.996145
where:
bonds (distance) C4'-P energy: -65.432
bonds (distance) P-C4' energy: -51.255
flat angles C4'-P-C4' energy: -65.900
flat angles P-C4'-P energy: -40.766
tors. eta vs tors. theta energy: -50.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 306
Temperature: 1.300000
Total energy: -617.568644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -617.568644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -617.568644 (E_RNA)
where:
Base-Base interactions energy: -361.451
where: short stacking energy: -164.516
Base-Backbone interact. energy: -2.270
local terms energy: -253.847492
where:
bonds (distance) C4'-P energy: -54.302
bonds (distance) P-C4' energy: -82.455
flat angles C4'-P-C4' energy: -60.327
flat angles P-C4'-P energy: -44.727
tors. eta vs tors. theta energy: -12.037
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: 2
=====================================
Write number: 306
Temperature: 1.350000
Total energy: -531.528255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.528255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.528255 (E_RNA)
where:
Base-Base interactions energy: -303.921
where: short stacking energy: -146.125
Base-Backbone interact. energy: 7.856
local terms energy: -235.463454
where:
bonds (distance) C4'-P energy: -64.635
bonds (distance) P-C4' energy: -65.887
flat angles C4'-P-C4' energy: -61.799
flat angles P-C4'-P energy: -37.586
tors. eta vs tors. theta energy: -5.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 307
Temperature: 0.900000
Total energy: -1395.375969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1395.375969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1395.375969 (E_RNA)
where:
Base-Base interactions energy: -966.765
where: short stacking energy: -401.748
Base-Backbone interact. energy: -1.546
local terms energy: -427.064963
where:
bonds (distance) C4'-P energy: -74.786
bonds (distance) P-C4' energy: -87.109
flat angles C4'-P-C4' energy: -88.885
flat angles P-C4'-P energy: -57.567
tors. eta vs tors. theta energy: -118.719
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: 3
=====================================
Write number: 307
Temperature: 0.950000
Total energy: -1354.153170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1354.153170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1354.153170 (E_RNA)
where:
Base-Base interactions energy: -941.749
where: short stacking energy: -392.873
Base-Backbone interact. energy: -3.377
local terms energy: -409.026970
where:
bonds (distance) C4'-P energy: -76.443
bonds (distance) P-C4' energy: -81.727
flat angles C4'-P-C4' energy: -84.981
flat angles P-C4'-P energy: -45.549
tors. eta vs tors. theta energy: -120.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 307
Temperature: 1.000000
Total energy: -1313.878182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1313.878182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1313.878182 (E_RNA)
where:
Base-Base interactions energy: -922.456
where: short stacking energy: -397.770
Base-Backbone interact. energy: 2.813
local terms energy: -394.234767
where:
bonds (distance) C4'-P energy: -70.110
bonds (distance) P-C4' energy: -78.197
flat angles C4'-P-C4' energy: -81.182
flat angles P-C4'-P energy: -57.817
tors. eta vs tors. theta energy: -106.929
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: 4, replica: 9
=====================================
Write number: 307
Temperature: 1.050000
Total energy: -1189.443695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1189.443695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1189.443695 (E_RNA)
where:
Base-Base interactions energy: -831.321
where: short stacking energy: -342.240
Base-Backbone interact. energy: -0.289
local terms energy: -357.833337
where:
bonds (distance) C4'-P energy: -65.913
bonds (distance) P-C4' energy: -72.226
flat angles C4'-P-C4' energy: -79.875
flat angles P-C4'-P energy: -40.884
tors. eta vs tors. theta energy: -98.935
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: 4
=====================================
Write number: 307
Temperature: 1.100000
Total energy: -1099.602436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1099.602436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1099.602436 (E_RNA)
where:
Base-Base interactions energy: -734.887
where: short stacking energy: -308.690
Base-Backbone interact. energy: -0.277
local terms energy: -364.439077
where:
bonds (distance) C4'-P energy: -76.866
bonds (distance) P-C4' energy: -79.544
flat angles C4'-P-C4' energy: -77.592
flat angles P-C4'-P energy: -47.510
tors. eta vs tors. theta energy: -82.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 307
Temperature: 1.150000
Total energy: -1044.975021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1044.975021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1044.975021 (E_RNA)
where:
Base-Base interactions energy: -689.232
where: short stacking energy: -332.042
Base-Backbone interact. energy: -0.423
local terms energy: -356.525251
where:
bonds (distance) C4'-P energy: -75.346
bonds (distance) P-C4' energy: -67.577
flat angles C4'-P-C4' energy: -69.479
flat angles P-C4'-P energy: -56.802
tors. eta vs tors. theta energy: -87.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.204 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 307
Temperature: 1.200000
Total energy: -928.830817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -928.830817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -928.830817 (E_RNA)
where:
Base-Base interactions energy: -597.020
where: short stacking energy: -265.824
Base-Backbone interact. energy: -3.088
local terms energy: -328.722098
where:
bonds (distance) C4'-P energy: -69.413
bonds (distance) P-C4' energy: -63.443
flat angles C4'-P-C4' energy: -78.407
flat angles P-C4'-P energy: -44.332
tors. eta vs tors. theta energy: -73.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 307
Temperature: 1.250000
Total energy: -779.937093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -779.937093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -779.937093 (E_RNA)
where:
Base-Base interactions energy: -501.222
where: short stacking energy: -209.356
Base-Backbone interact. energy: 0.185
local terms energy: -278.900695
where:
bonds (distance) C4'-P energy: -68.960
bonds (distance) P-C4' energy: -59.572
flat angles C4'-P-C4' energy: -59.676
flat angles P-C4'-P energy: -52.755
tors. eta vs tors. theta energy: -37.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 307
Temperature: 1.300000
Total energy: -614.146783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -614.146783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -614.146783 (E_RNA)
where:
Base-Base interactions energy: -370.553
where: short stacking energy: -180.787
Base-Backbone interact. energy: -1.303
local terms energy: -242.290024
where:
bonds (distance) C4'-P energy: -67.643
bonds (distance) P-C4' energy: -56.819
flat angles C4'-P-C4' energy: -65.097
flat angles P-C4'-P energy: -24.954
tors. eta vs tors. theta energy: -27.777
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: 2
=====================================
Write number: 307
Temperature: 1.350000
Total energy: -528.711241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.711241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.711241 (E_RNA)
where:
Base-Base interactions energy: -297.477
where: short stacking energy: -149.286
Base-Backbone interact. energy: 3.922
local terms energy: -235.779876
where:
bonds (distance) C4'-P energy: -55.296
bonds (distance) P-C4' energy: -75.608
flat angles C4'-P-C4' energy: -53.017
flat angles P-C4'-P energy: -43.689
tors. eta vs tors. theta energy: -8.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.624 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 308
Temperature: 0.900000
Total energy: -1359.537982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1359.537982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1359.537982 (E_RNA)
where:
Base-Base interactions energy: -936.861
where: short stacking energy: -417.152
Base-Backbone interact. energy: -3.886
local terms energy: -418.790852
where:
bonds (distance) C4'-P energy: -72.917
bonds (distance) P-C4' energy: -81.580
flat angles C4'-P-C4' energy: -86.658
flat angles P-C4'-P energy: -54.844
tors. eta vs tors. theta energy: -122.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 308
Temperature: 0.950000
Total energy: -1354.254619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1354.254619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1354.254619 (E_RNA)
where:
Base-Base interactions energy: -948.199
where: short stacking energy: -401.245
Base-Backbone interact. energy: 0.143
local terms energy: -406.199167
where:
bonds (distance) C4'-P energy: -69.546
bonds (distance) P-C4' energy: -82.341
flat angles C4'-P-C4' energy: -83.788
flat angles P-C4'-P energy: -61.884
tors. eta vs tors. theta energy: -108.640
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: 308
Temperature: 1.000000
Total energy: -1286.443896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1286.443896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1286.443896 (E_RNA)
where:
Base-Base interactions energy: -881.998
where: short stacking energy: -363.994
Base-Backbone interact. energy: 0.619
local terms energy: -405.065355
where:
bonds (distance) C4'-P energy: -76.475
bonds (distance) P-C4' energy: -80.086
flat angles C4'-P-C4' energy: -84.221
flat angles P-C4'-P energy: -53.741
tors. eta vs tors. theta energy: -110.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 308
Temperature: 1.050000
Total energy: -1221.601208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1221.601208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1221.601208 (E_RNA)
where:
Base-Base interactions energy: -829.333
where: short stacking energy: -365.543
Base-Backbone interact. energy: -1.009
local terms energy: -391.259197
where:
bonds (distance) C4'-P energy: -73.020
bonds (distance) P-C4' energy: -77.719
flat angles C4'-P-C4' energy: -84.463
flat angles P-C4'-P energy: -52.304
tors. eta vs tors. theta energy: -103.753
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: 4
=====================================
Write number: 308
Temperature: 1.100000
Total energy: -1087.052887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1087.052887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1087.052887 (E_RNA)
where:
Base-Base interactions energy: -763.746
where: short stacking energy: -342.852
Base-Backbone interact. energy: -0.132
local terms energy: -323.174867
where:
bonds (distance) C4'-P energy: -49.572
bonds (distance) P-C4' energy: -72.714
flat angles C4'-P-C4' energy: -70.320
flat angles P-C4'-P energy: -50.390
tors. eta vs tors. theta energy: -80.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 308
Temperature: 1.150000
Total energy: -1028.245107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1028.245107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1028.245107 (E_RNA)
where:
Base-Base interactions energy: -690.525
where: short stacking energy: -304.006
Base-Backbone interact. energy: -1.077
local terms energy: -336.643343
where:
bonds (distance) C4'-P energy: -68.774
bonds (distance) P-C4' energy: -73.461
flat angles C4'-P-C4' energy: -70.345
flat angles P-C4'-P energy: -42.419
tors. eta vs tors. theta energy: -81.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 308
Temperature: 1.200000
Total energy: -929.841124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -929.841124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -929.841124 (E_RNA)
where:
Base-Base interactions energy: -601.797
where: short stacking energy: -277.493
Base-Backbone interact. energy: -0.362
local terms energy: -327.682216
where:
bonds (distance) C4'-P energy: -70.297
bonds (distance) P-C4' energy: -78.397
flat angles C4'-P-C4' energy: -72.977
flat angles P-C4'-P energy: -35.620
tors. eta vs tors. theta energy: -70.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 308
Temperature: 1.250000
Total energy: -801.043311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -801.043311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -801.043311 (E_RNA)
where:
Base-Base interactions energy: -493.476
where: short stacking energy: -216.494
Base-Backbone interact. energy: 1.185
local terms energy: -308.752829
where:
bonds (distance) C4'-P energy: -74.124
bonds (distance) P-C4' energy: -80.035
flat angles C4'-P-C4' energy: -69.281
flat angles P-C4'-P energy: -46.100
tors. eta vs tors. theta energy: -39.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 308
Temperature: 1.300000
Total energy: -623.302874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -623.302874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -623.302874 (E_RNA)
where:
Base-Base interactions energy: -364.211
where: short stacking energy: -181.955
Base-Backbone interact. energy: -1.648
local terms energy: -257.443566
where:
bonds (distance) C4'-P energy: -63.384
bonds (distance) P-C4' energy: -74.995
flat angles C4'-P-C4' energy: -59.543
flat angles P-C4'-P energy: -36.186
tors. eta vs tors. theta energy: -23.336
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: 10, replica: 2
=====================================
Write number: 308
Temperature: 1.350000
Total energy: -481.577816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.577816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.577816 (E_RNA)
where:
Base-Base interactions energy: -257.822
where: short stacking energy: -140.297
Base-Backbone interact. energy: -2.322
local terms energy: -221.434326
where:
bonds (distance) C4'-P energy: -56.054
bonds (distance) P-C4' energy: -73.529
flat angles C4'-P-C4' energy: -42.973
flat angles P-C4'-P energy: -37.543
tors. eta vs tors. theta energy: -11.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 309
Temperature: 0.900000
Total energy: -1375.067103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1375.067103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1375.067103 (E_RNA)
where:
Base-Base interactions energy: -946.267
where: short stacking energy: -381.982
Base-Backbone interact. energy: 0.516
local terms energy: -429.315346
where:
bonds (distance) C4'-P energy: -81.316
bonds (distance) P-C4' energy: -80.887
flat angles C4'-P-C4' energy: -89.043
flat angles P-C4'-P energy: -61.144
tors. eta vs tors. theta energy: -116.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 309
Temperature: 0.950000
Total energy: -1355.407364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1355.407364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1355.407364 (E_RNA)
where:
Base-Base interactions energy: -958.105
where: short stacking energy: -383.032
Base-Backbone interact. energy: -1.418
local terms energy: -395.884733
where:
bonds (distance) C4'-P energy: -75.702
bonds (distance) P-C4' energy: -79.972
flat angles C4'-P-C4' energy: -79.211
flat angles P-C4'-P energy: -50.325
tors. eta vs tors. theta energy: -110.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 309
Temperature: 1.000000
Total energy: -1274.772281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1274.772281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1274.772281 (E_RNA)
where:
Base-Base interactions energy: -862.431
where: short stacking energy: -365.462
Base-Backbone interact. energy: -1.589
local terms energy: -410.752904
where:
bonds (distance) C4'-P energy: -85.784
bonds (distance) P-C4' energy: -72.689
flat angles C4'-P-C4' energy: -88.150
flat angles P-C4'-P energy: -59.654
tors. eta vs tors. theta energy: -104.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 309
Temperature: 1.050000
Total energy: -1204.735702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1204.735702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1204.735702 (E_RNA)
where:
Base-Base interactions energy: -822.614
where: short stacking energy: -345.594
Base-Backbone interact. energy: -0.652
local terms energy: -381.469088
where:
bonds (distance) C4'-P energy: -74.715
bonds (distance) P-C4' energy: -80.576
flat angles C4'-P-C4' energy: -79.538
flat angles P-C4'-P energy: -49.319
tors. eta vs tors. theta energy: -97.322
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: 5, replica: 4
=====================================
Write number: 309
Temperature: 1.100000
Total energy: -1085.882522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1085.882522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1085.882522 (E_RNA)
where:
Base-Base interactions energy: -737.965
where: short stacking energy: -315.085
Base-Backbone interact. energy: -2.046
local terms energy: -345.871481
where:
bonds (distance) C4'-P energy: -64.836
bonds (distance) P-C4' energy: -65.595
flat angles C4'-P-C4' energy: -79.823
flat angles P-C4'-P energy: -55.573
tors. eta vs tors. theta energy: -80.046
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: 6, replica: 1
=====================================
Write number: 309
Temperature: 1.150000
Total energy: -1040.691879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1040.691879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1040.691879 (E_RNA)
where:
Base-Base interactions energy: -693.068
where: short stacking energy: -311.672
Base-Backbone interact. energy: -1.208
local terms energy: -346.415378
where:
bonds (distance) C4'-P energy: -65.635
bonds (distance) P-C4' energy: -73.323
flat angles C4'-P-C4' energy: -73.619
flat angles P-C4'-P energy: -48.373
tors. eta vs tors. theta energy: -85.466
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: 309
Temperature: 1.200000
Total energy: -921.667647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -921.667647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -921.667647 (E_RNA)
where:
Base-Base interactions energy: -613.531
where: short stacking energy: -268.624
Base-Backbone interact. energy: -0.362
local terms energy: -307.773946
where:
bonds (distance) C4'-P energy: -62.481
bonds (distance) P-C4' energy: -71.261
flat angles C4'-P-C4' energy: -66.502
flat angles P-C4'-P energy: -45.214
tors. eta vs tors. theta energy: -62.315
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: 10
=====================================
Write number: 309
Temperature: 1.250000
Total energy: -807.699301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -807.699301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -807.699301 (E_RNA)
where:
Base-Base interactions energy: -525.405
where: short stacking energy: -232.258
Base-Backbone interact. energy: -1.090
local terms energy: -281.204320
where:
bonds (distance) C4'-P energy: -71.249
bonds (distance) P-C4' energy: -56.553
flat angles C4'-P-C4' energy: -63.295
flat angles P-C4'-P energy: -44.349
tors. eta vs tors. theta energy: -45.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 309
Temperature: 1.300000
Total energy: -592.748793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -592.748793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -592.748793 (E_RNA)
where:
Base-Base interactions energy: -359.156
where: short stacking energy: -155.694
Base-Backbone interact. energy: 1.372
local terms energy: -234.964498
where:
bonds (distance) C4'-P energy: -52.098
bonds (distance) P-C4' energy: -78.145
flat angles C4'-P-C4' energy: -50.499
flat angles P-C4'-P energy: -33.712
tors. eta vs tors. theta energy: -20.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 309
Temperature: 1.350000
Total energy: -495.832171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.832171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.832171 (E_RNA)
where:
Base-Base interactions energy: -284.548
where: short stacking energy: -141.942
Base-Backbone interact. energy: -2.663
local terms energy: -208.621166
where:
bonds (distance) C4'-P energy: -48.749
bonds (distance) P-C4' energy: -71.374
flat angles C4'-P-C4' energy: -54.484
flat angles P-C4'-P energy: -30.339
tors. eta vs tors. theta energy: -3.674
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: 3
=====================================
Write number: 310
Temperature: 0.900000
Total energy: -1331.363578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1331.363578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1331.363578 (E_RNA)
where:
Base-Base interactions energy: -916.808
where: short stacking energy: -379.526
Base-Backbone interact. energy: -1.044
local terms energy: -413.511896
where:
bonds (distance) C4'-P energy: -72.600
bonds (distance) P-C4' energy: -80.911
flat angles C4'-P-C4' energy: -93.205
flat angles P-C4'-P energy: -51.969
tors. eta vs tors. theta energy: -114.826
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: 7
=====================================
Write number: 310
Temperature: 0.950000
Total energy: -1387.513601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1387.513601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1387.513601 (E_RNA)
where:
Base-Base interactions energy: -973.099
where: short stacking energy: -392.515
Base-Backbone interact. energy: -1.613
local terms energy: -412.802032
where:
bonds (distance) C4'-P energy: -85.389
bonds (distance) P-C4' energy: -84.138
flat angles C4'-P-C4' energy: -76.175
flat angles P-C4'-P energy: -54.573
tors. eta vs tors. theta energy: -112.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 310
Temperature: 1.000000
Total energy: -1303.865076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1303.865076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1303.865076 (E_RNA)
where:
Base-Base interactions energy: -907.077
where: short stacking energy: -356.766
Base-Backbone interact. energy: -3.805
local terms energy: -392.982996
where:
bonds (distance) C4'-P energy: -72.332
bonds (distance) P-C4' energy: -79.116
flat angles C4'-P-C4' energy: -83.719
flat angles P-C4'-P energy: -55.224
tors. eta vs tors. theta energy: -102.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 310
Temperature: 1.050000
Total energy: -1214.212016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1214.212016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1214.212016 (E_RNA)
where:
Base-Base interactions energy: -841.498
where: short stacking energy: -367.305
Base-Backbone interact. energy: -0.881
local terms energy: -371.833303
where:
bonds (distance) C4'-P energy: -59.046
bonds (distance) P-C4' energy: -80.024
flat angles C4'-P-C4' energy: -79.041
flat angles P-C4'-P energy: -54.648
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: 5, replica: 4
=====================================
Write number: 310
Temperature: 1.100000
Total energy: -1113.524863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1113.524863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1113.524863 (E_RNA)
where:
Base-Base interactions energy: -762.440
where: short stacking energy: -305.366
Base-Backbone interact. energy: -2.559
local terms energy: -348.526188
where:
bonds (distance) C4'-P energy: -63.249
bonds (distance) P-C4' energy: -80.419
flat angles C4'-P-C4' energy: -80.538
flat angles P-C4'-P energy: -55.512
tors. eta vs tors. theta energy: -68.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 310
Temperature: 1.150000
Total energy: -1067.587282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1067.587282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1067.587282 (E_RNA)
where:
Base-Base interactions energy: -719.738
where: short stacking energy: -310.464
Base-Backbone interact. energy: -3.444
local terms energy: -344.405604
where:
bonds (distance) C4'-P energy: -71.302
bonds (distance) P-C4' energy: -69.434
flat angles C4'-P-C4' energy: -81.858
flat angles P-C4'-P energy: -44.926
tors. eta vs tors. theta energy: -76.886
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: 7, replica: 8
=====================================
Write number: 310
Temperature: 1.200000
Total energy: -949.112982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -949.112982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -949.112982 (E_RNA)
where:
Base-Base interactions energy: -647.674
where: short stacking energy: -287.099
Base-Backbone interact. energy: 0.890
local terms energy: -302.329000
where:
bonds (distance) C4'-P energy: -64.067
bonds (distance) P-C4' energy: -51.036
flat angles C4'-P-C4' energy: -75.528
flat angles P-C4'-P energy: -48.242
tors. eta vs tors. theta energy: -63.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 310
Temperature: 1.250000
Total energy: -775.181303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -775.181303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -775.181303 (E_RNA)
where:
Base-Base interactions energy: -501.043
where: short stacking energy: -230.657
Base-Backbone interact. energy: -1.231
local terms energy: -272.907167
where:
bonds (distance) C4'-P energy: -56.843
bonds (distance) P-C4' energy: -64.271
flat angles C4'-P-C4' energy: -69.030
flat angles P-C4'-P energy: -43.297
tors. eta vs tors. theta energy: -39.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 310
Temperature: 1.300000
Total energy: -559.681888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.681888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.681888 (E_RNA)
where:
Base-Base interactions energy: -333.198
where: short stacking energy: -154.121
Base-Backbone interact. energy: -1.736
local terms energy: -224.748199
where:
bonds (distance) C4'-P energy: -47.720
bonds (distance) P-C4' energy: -66.681
flat angles C4'-P-C4' energy: -62.637
flat angles P-C4'-P energy: -35.170
tors. eta vs tors. theta energy: -12.540
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: 2
=====================================
Write number: 310
Temperature: 1.350000
Total energy: -513.590673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.590673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.590673 (E_RNA)
where:
Base-Base interactions energy: -311.940
where: short stacking energy: -171.950
Base-Backbone interact. energy: -0.514
local terms energy: -201.136310
where:
bonds (distance) C4'-P energy: -55.107
bonds (distance) P-C4' energy: -53.524
flat angles C4'-P-C4' energy: -55.203
flat angles P-C4'-P energy: -16.151
tors. eta vs tors. theta energy: -21.151
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: 3
=====================================
Write number: 311
Temperature: 0.900000
Total energy: -1348.230941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1348.230941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1348.230941 (E_RNA)
where:
Base-Base interactions energy: -904.983
where: short stacking energy: -409.856
Base-Backbone interact. energy: -3.315
local terms energy: -439.932159
where:
bonds (distance) C4'-P energy: -73.034
bonds (distance) P-C4' energy: -82.993
flat angles C4'-P-C4' energy: -98.787
flat angles P-C4'-P energy: -64.464
tors. eta vs tors. theta energy: -120.654
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: 7
=====================================
Write number: 311
Temperature: 0.950000
Total energy: -1352.807838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1352.807838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1352.807838 (E_RNA)
where:
Base-Base interactions energy: -948.852
where: short stacking energy: -414.279
Base-Backbone interact. energy: -0.173
local terms energy: -403.782569
where:
bonds (distance) C4'-P energy: -62.264
bonds (distance) P-C4' energy: -77.798
flat angles C4'-P-C4' energy: -95.101
flat angles P-C4'-P energy: -52.955
tors. eta vs tors. theta energy: -115.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 311
Temperature: 1.000000
Total energy: -1276.179603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1276.179603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1276.179603 (E_RNA)
where:
Base-Base interactions energy: -880.206
where: short stacking energy: -362.786
Base-Backbone interact. energy: -3.051
local terms energy: -392.922911
where:
bonds (distance) C4'-P energy: -70.246
bonds (distance) P-C4' energy: -73.433
flat angles C4'-P-C4' energy: -90.535
flat angles P-C4'-P energy: -53.933
tors. eta vs tors. theta energy: -104.777
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: 9
=====================================
Write number: 311
Temperature: 1.050000
Total energy: -1203.329940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1203.329940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1203.329940 (E_RNA)
where:
Base-Base interactions energy: -832.179
where: short stacking energy: -362.999
Base-Backbone interact. energy: -0.283
local terms energy: -370.868593
where:
bonds (distance) C4'-P energy: -74.692
bonds (distance) P-C4' energy: -66.447
flat angles C4'-P-C4' energy: -72.702
flat angles P-C4'-P energy: -54.218
tors. eta vs tors. theta energy: -102.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 311
Temperature: 1.100000
Total energy: -1153.688767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1153.688767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1153.688767 (E_RNA)
where:
Base-Base interactions energy: -780.172
where: short stacking energy: -327.231
Base-Backbone interact. energy: -3.561
local terms energy: -369.956106
where:
bonds (distance) C4'-P energy: -68.194
bonds (distance) P-C4' energy: -68.608
flat angles C4'-P-C4' energy: -89.191
flat angles P-C4'-P energy: -51.683
tors. eta vs tors. theta energy: -92.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 311
Temperature: 1.150000
Total energy: -1023.102775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1023.102775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1023.102775 (E_RNA)
where:
Base-Base interactions energy: -681.417
where: short stacking energy: -306.161
Base-Backbone interact. energy: -0.675
local terms energy: -341.821734
where:
bonds (distance) C4'-P energy: -75.522
bonds (distance) P-C4' energy: -64.270
flat angles C4'-P-C4' energy: -72.656
flat angles P-C4'-P energy: -50.387
tors. eta vs tors. theta energy: -78.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.811 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 311
Temperature: 1.200000
Total energy: -958.070646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -958.070646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -958.070646 (E_RNA)
where:
Base-Base interactions energy: -636.322
where: short stacking energy: -282.410
Base-Backbone interact. energy: -1.474
local terms energy: -320.274838
where:
bonds (distance) C4'-P energy: -60.762
bonds (distance) P-C4' energy: -78.418
flat angles C4'-P-C4' energy: -65.907
flat angles P-C4'-P energy: -44.575
tors. eta vs tors. theta energy: -70.613
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: 8, replica: 10
=====================================
Write number: 311
Temperature: 1.250000
Total energy: -815.500567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -815.500567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -815.500567 (E_RNA)
where:
Base-Base interactions energy: -531.221
where: short stacking energy: -221.002
Base-Backbone interact. energy: -0.258
local terms energy: -284.021855
where:
bonds (distance) C4'-P energy: -66.175
bonds (distance) P-C4' energy: -67.545
flat angles C4'-P-C4' energy: -72.072
flat angles P-C4'-P energy: -42.578
tors. eta vs tors. theta energy: -35.652
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: 6
=====================================
Write number: 311
Temperature: 1.300000
Total energy: -588.541525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -588.541525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -588.541525 (E_RNA)
where:
Base-Base interactions energy: -356.104
where: short stacking energy: -170.201
Base-Backbone interact. energy: -0.392
local terms energy: -232.044902
where:
bonds (distance) C4'-P energy: -67.452
bonds (distance) P-C4' energy: -67.750
flat angles C4'-P-C4' energy: -49.327
flat angles P-C4'-P energy: -25.540
tors. eta vs tors. theta energy: -21.977
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: 2
=====================================
Write number: 311
Temperature: 1.350000
Total energy: -516.796457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.796457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.796457 (E_RNA)
where:
Base-Base interactions energy: -287.353
where: short stacking energy: -138.413
Base-Backbone interact. energy: -0.913
local terms energy: -228.529577
where:
bonds (distance) C4'-P energy: -64.199
bonds (distance) P-C4' energy: -64.623
flat angles C4'-P-C4' energy: -56.641
flat angles P-C4'-P energy: -35.953
tors. eta vs tors. theta energy: -7.114
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: 3
=====================================
Write number: 312
Temperature: 0.900000
Total energy: -1343.070132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1343.070132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1343.070132 (E_RNA)
where:
Base-Base interactions energy: -908.289
where: short stacking energy: -409.105
Base-Backbone interact. energy: -1.522
local terms energy: -433.259125
where:
bonds (distance) C4'-P energy: -82.496
bonds (distance) P-C4' energy: -78.497
flat angles C4'-P-C4' energy: -90.924
flat angles P-C4'-P energy: -61.252
tors. eta vs tors. theta energy: -120.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 312
Temperature: 0.950000
Total energy: -1359.252364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1359.252364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1359.252364 (E_RNA)
where:
Base-Base interactions energy: -931.867
where: short stacking energy: -402.800
Base-Backbone interact. energy: 0.419
local terms energy: -427.804437
where:
bonds (distance) C4'-P energy: -78.470
bonds (distance) P-C4' energy: -82.877
flat angles C4'-P-C4' energy: -79.720
flat angles P-C4'-P energy: -66.261
tors. eta vs tors. theta energy: -120.476
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: 5
=====================================
Write number: 312
Temperature: 1.000000
Total energy: -1276.957578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1276.957578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1276.957578 (E_RNA)
where:
Base-Base interactions energy: -894.967
where: short stacking energy: -369.218
Base-Backbone interact. energy: -4.577
local terms energy: -377.661837
where:
bonds (distance) C4'-P energy: -75.565
bonds (distance) P-C4' energy: -74.336
flat angles C4'-P-C4' energy: -76.131
flat angles P-C4'-P energy: -52.850
tors. eta vs tors. theta energy: -98.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.248 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 312
Temperature: 1.050000
Total energy: -1212.204401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1212.204401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1212.204401 (E_RNA)
where:
Base-Base interactions energy: -843.563
where: short stacking energy: -354.139
Base-Backbone interact. energy: -1.407
local terms energy: -367.234490
where:
bonds (distance) C4'-P energy: -62.654
bonds (distance) P-C4' energy: -63.953
flat angles C4'-P-C4' energy: -81.460
flat angles P-C4'-P energy: -53.099
tors. eta vs tors. theta energy: -106.069
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: 4
=====================================
Write number: 312
Temperature: 1.100000
Total energy: -1151.419070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1151.419070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1151.419070 (E_RNA)
where:
Base-Base interactions energy: -806.480
where: short stacking energy: -328.410
Base-Backbone interact. energy: -1.367
local terms energy: -343.572550
where:
bonds (distance) C4'-P energy: -74.902
bonds (distance) P-C4' energy: -61.494
flat angles C4'-P-C4' energy: -79.811
flat angles P-C4'-P energy: -47.521
tors. eta vs tors. theta energy: -79.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 312
Temperature: 1.150000
Total energy: -1064.768818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1064.768818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1064.768818 (E_RNA)
where:
Base-Base interactions energy: -707.105
where: short stacking energy: -335.315
Base-Backbone interact. energy: -1.689
local terms energy: -355.975287
where:
bonds (distance) C4'-P energy: -60.538
bonds (distance) P-C4' energy: -66.629
flat angles C4'-P-C4' energy: -81.362
flat angles P-C4'-P energy: -60.001
tors. eta vs tors. theta energy: -87.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 312
Temperature: 1.200000
Total energy: -904.672393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -904.672393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -904.672393 (E_RNA)
where:
Base-Base interactions energy: -584.053
where: short stacking energy: -274.398
Base-Backbone interact. energy: 0.176
local terms energy: -320.794968
where:
bonds (distance) C4'-P energy: -70.700
bonds (distance) P-C4' energy: -62.879
flat angles C4'-P-C4' energy: -63.684
flat angles P-C4'-P energy: -47.633
tors. eta vs tors. theta energy: -75.899
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 312
Temperature: 1.250000
Total energy: -823.981940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -823.981940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -823.981940 (E_RNA)
where:
Base-Base interactions energy: -561.138
where: short stacking energy: -245.614
Base-Backbone interact. energy: 2.657
local terms energy: -265.500369
where:
bonds (distance) C4'-P energy: -57.817
bonds (distance) P-C4' energy: -45.256
flat angles C4'-P-C4' energy: -76.441
flat angles P-C4'-P energy: -42.294
tors. eta vs tors. theta energy: -43.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 312
Temperature: 1.300000
Total energy: -617.052514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -617.052514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -617.052514 (E_RNA)
where:
Base-Base interactions energy: -363.456
where: short stacking energy: -179.947
Base-Backbone interact. energy: -0.724
local terms energy: -252.872399
where:
bonds (distance) C4'-P energy: -54.305
bonds (distance) P-C4' energy: -82.964
flat angles C4'-P-C4' energy: -62.565
flat angles P-C4'-P energy: -37.243
tors. eta vs tors. theta energy: -15.796
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: 2
=====================================
Write number: 312
Temperature: 1.350000
Total energy: -595.011930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -595.011930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -595.011930 (E_RNA)
where:
Base-Base interactions energy: -336.843
where: short stacking energy: -164.608
Base-Backbone interact. energy: -0.615
local terms energy: -257.554292
where:
bonds (distance) C4'-P energy: -74.821
bonds (distance) P-C4' energy: -68.990
flat angles C4'-P-C4' energy: -55.758
flat angles P-C4'-P energy: -34.706
tors. eta vs tors. theta energy: -23.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 313
Temperature: 0.900000
Total energy: -1357.922543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1357.922543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1357.922543 (E_RNA)
where:
Base-Base interactions energy: -931.830
where: short stacking energy: -417.343
Base-Backbone interact. energy: 1.531
local terms energy: -427.623714
where:
bonds (distance) C4'-P energy: -72.609
bonds (distance) P-C4' energy: -79.059
flat angles C4'-P-C4' energy: -93.278
flat angles P-C4'-P energy: -60.958
tors. eta vs tors. theta energy: -121.719
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: 313
Temperature: 0.950000
Total energy: -1376.787458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1376.787458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1376.787458 (E_RNA)
where:
Base-Base interactions energy: -942.101
where: short stacking energy: -404.830
Base-Backbone interact. energy: -0.373
local terms energy: -434.313373
where:
bonds (distance) C4'-P energy: -74.236
bonds (distance) P-C4' energy: -87.436
flat angles C4'-P-C4' energy: -88.371
flat angles P-C4'-P energy: -61.481
tors. eta vs tors. theta energy: -122.789
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: 3, replica: 5
=====================================
Write number: 313
Temperature: 1.000000
Total energy: -1258.782245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1258.782245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1258.782245 (E_RNA)
where:
Base-Base interactions energy: -880.107
where: short stacking energy: -386.761
Base-Backbone interact. energy: -4.126
local terms energy: -374.549129
where:
bonds (distance) C4'-P energy: -62.611
bonds (distance) P-C4' energy: -66.948
flat angles C4'-P-C4' energy: -80.182
flat angles P-C4'-P energy: -60.196
tors. eta vs tors. theta energy: -104.612
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: 4, replica: 9
=====================================
Write number: 313
Temperature: 1.050000
Total energy: -1219.225004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1219.225004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1219.225004 (E_RNA)
where:
Base-Base interactions energy: -848.576
where: short stacking energy: -356.544
Base-Backbone interact. energy: 0.074
local terms energy: -370.722366
where:
bonds (distance) C4'-P energy: -60.655
bonds (distance) P-C4' energy: -78.908
flat angles C4'-P-C4' energy: -89.670
flat angles P-C4'-P energy: -42.622
tors. eta vs tors. theta energy: -98.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 313
Temperature: 1.100000
Total energy: -1150.815240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1150.815240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1150.815240 (E_RNA)
where:
Base-Base interactions energy: -792.261
where: short stacking energy: -311.248
Base-Backbone interact. energy: -1.262
local terms energy: -357.292244
where:
bonds (distance) C4'-P energy: -75.555
bonds (distance) P-C4' energy: -74.699
flat angles C4'-P-C4' energy: -69.745
flat angles P-C4'-P energy: -52.553
tors. eta vs tors. theta energy: -84.740
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: 6, replica: 1
=====================================
Write number: 313
Temperature: 1.150000
Total energy: -1056.680116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1056.680116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1056.680116 (E_RNA)
where:
Base-Base interactions energy: -704.882
where: short stacking energy: -312.190
Base-Backbone interact. energy: -0.173
local terms energy: -351.637459
where:
bonds (distance) C4'-P energy: -75.978
bonds (distance) P-C4' energy: -67.627
flat angles C4'-P-C4' energy: -80.025
flat angles P-C4'-P energy: -39.574
tors. eta vs tors. theta energy: -88.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.012 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 313
Temperature: 1.200000
Total energy: -865.488991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -865.488991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -865.488991 (E_RNA)
where:
Base-Base interactions energy: -586.850
where: short stacking energy: -260.531
Base-Backbone interact. energy: -0.308
local terms energy: -278.331636
where:
bonds (distance) C4'-P energy: -62.829
bonds (distance) P-C4' energy: -49.888
flat angles C4'-P-C4' energy: -52.557
flat angles P-C4'-P energy: -49.993
tors. eta vs tors. theta energy: -63.065
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: 8, replica: 10
=====================================
Write number: 313
Temperature: 1.250000
Total energy: -797.264591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -797.264591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -797.264591 (E_RNA)
where:
Base-Base interactions energy: -493.615
where: short stacking energy: -230.921
Base-Backbone interact. energy: 0.840
local terms energy: -304.489543
where:
bonds (distance) C4'-P energy: -68.669
bonds (distance) P-C4' energy: -69.727
flat angles C4'-P-C4' energy: -70.962
flat angles P-C4'-P energy: -47.283
tors. eta vs tors. theta energy: -47.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 313
Temperature: 1.300000
Total energy: -594.762789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -594.762789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -594.762789 (E_RNA)
where:
Base-Base interactions energy: -355.588
where: short stacking energy: -167.853
Base-Backbone interact. energy: 2.788
local terms energy: -241.963006
where:
bonds (distance) C4'-P energy: -63.572
bonds (distance) P-C4' energy: -59.390
flat angles C4'-P-C4' energy: -55.647
flat angles P-C4'-P energy: -39.892
tors. eta vs tors. theta energy: -23.462
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: 10, replica: 2
=====================================
Write number: 313
Temperature: 1.350000
Total energy: -549.980942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.980942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.980942 (E_RNA)
where:
Base-Base interactions energy: -326.352
where: short stacking energy: -149.841
Base-Backbone interact. energy: 0.632
local terms energy: -224.261404
where:
bonds (distance) C4'-P energy: -62.050
bonds (distance) P-C4' energy: -59.661
flat angles C4'-P-C4' energy: -46.536
flat angles P-C4'-P energy: -39.594
tors. eta vs tors. theta energy: -16.420
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: 314
Temperature: 0.900000
Total energy: -1366.801287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1366.801287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1366.801287 (E_RNA)
where:
Base-Base interactions energy: -949.610
where: short stacking energy: -391.175
Base-Backbone interact. energy: -1.126
local terms energy: -416.065563
where:
bonds (distance) C4'-P energy: -72.697
bonds (distance) P-C4' energy: -78.149
flat angles C4'-P-C4' energy: -89.448
flat angles P-C4'-P energy: -60.131
tors. eta vs tors. theta energy: -115.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 314
Temperature: 0.950000
Total energy: -1334.467406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1334.467406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1334.467406 (E_RNA)
where:
Base-Base interactions energy: -929.562
where: short stacking energy: -413.412
Base-Backbone interact. energy: -1.036
local terms energy: -403.869556
where:
bonds (distance) C4'-P energy: -75.463
bonds (distance) P-C4' energy: -70.171
flat angles C4'-P-C4' energy: -89.751
flat angles P-C4'-P energy: -45.823
tors. eta vs tors. theta energy: -122.662
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: 9
=====================================
Write number: 314
Temperature: 1.000000
Total energy: -1239.320819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1239.320819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1239.320819 (E_RNA)
where:
Base-Base interactions energy: -859.285
where: short stacking energy: -360.073
Base-Backbone interact. energy: 2.136
local terms energy: -382.171968
where:
bonds (distance) C4'-P energy: -82.909
bonds (distance) P-C4' energy: -77.708
flat angles C4'-P-C4' energy: -68.258
flat angles P-C4'-P energy: -57.393
tors. eta vs tors. theta energy: -95.904
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: 5
=====================================
Write number: 314
Temperature: 1.050000
Total energy: -1240.466029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1240.466029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1240.466029 (E_RNA)
where:
Base-Base interactions energy: -838.672
where: short stacking energy: -357.449
Base-Backbone interact. energy: -5.343
local terms energy: -396.450727
where:
bonds (distance) C4'-P energy: -72.351
bonds (distance) P-C4' energy: -80.944
flat angles C4'-P-C4' energy: -79.599
flat angles P-C4'-P energy: -61.653
tors. eta vs tors. theta energy: -101.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 314
Temperature: 1.100000
Total energy: -1169.048829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1169.048829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1169.048829 (E_RNA)
where:
Base-Base interactions energy: -814.449
where: short stacking energy: -340.581
Base-Backbone interact. energy: -2.212
local terms energy: -352.387758
where:
bonds (distance) C4'-P energy: -72.559
bonds (distance) P-C4' energy: -66.052
flat angles C4'-P-C4' energy: -85.223
flat angles P-C4'-P energy: -44.839
tors. eta vs tors. theta energy: -83.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 314
Temperature: 1.150000
Total energy: -1059.746058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1059.746058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1059.746058 (E_RNA)
where:
Base-Base interactions energy: -724.978
where: short stacking energy: -309.102
Base-Backbone interact. energy: -0.334
local terms energy: -334.433641
where:
bonds (distance) C4'-P energy: -61.949
bonds (distance) P-C4' energy: -63.756
flat angles C4'-P-C4' energy: -72.303
flat angles P-C4'-P energy: -45.808
tors. eta vs tors. theta energy: -90.618
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: 8
=====================================
Write number: 314
Temperature: 1.200000
Total energy: -904.588420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -904.588420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -904.588420 (E_RNA)
where:
Base-Base interactions energy: -575.154
where: short stacking energy: -290.154
Base-Backbone interact. energy: -1.272
local terms energy: -328.163158
where:
bonds (distance) C4'-P energy: -60.585
bonds (distance) P-C4' energy: -74.125
flat angles C4'-P-C4' energy: -72.327
flat angles P-C4'-P energy: -54.991
tors. eta vs tors. theta energy: -66.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 314
Temperature: 1.250000
Total energy: -765.060482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -765.060482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -765.060482 (E_RNA)
where:
Base-Base interactions energy: -493.554
where: short stacking energy: -221.405
Base-Backbone interact. energy: -0.352
local terms energy: -271.155195
where:
bonds (distance) C4'-P energy: -70.229
bonds (distance) P-C4' energy: -63.296
flat angles C4'-P-C4' energy: -67.873
flat angles P-C4'-P energy: -38.801
tors. eta vs tors. theta energy: -30.956
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: 9, replica: 6
=====================================
Write number: 314
Temperature: 1.300000
Total energy: -587.749045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -587.749045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -587.749045 (E_RNA)
where:
Base-Base interactions energy: -343.101
where: short stacking energy: -188.493
Base-Backbone interact. energy: -0.519
local terms energy: -244.128582
where:
bonds (distance) C4'-P energy: -60.782
bonds (distance) P-C4' energy: -75.013
flat angles C4'-P-C4' energy: -52.745
flat angles P-C4'-P energy: -41.453
tors. eta vs tors. theta energy: -14.136
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: 10, replica: 2
=====================================
Write number: 314
Temperature: 1.350000
Total energy: -515.800618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.800618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.800618 (E_RNA)
where:
Base-Base interactions energy: -284.640
where: short stacking energy: -134.973
Base-Backbone interact. energy: 0.050
local terms energy: -231.210370
where:
bonds (distance) C4'-P energy: -61.147
bonds (distance) P-C4' energy: -58.112
flat angles C4'-P-C4' energy: -62.877
flat angles P-C4'-P energy: -37.718
tors. eta vs tors. theta energy: -11.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 315
Temperature: 0.900000
Total energy: -1389.919868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1389.919868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1389.919868 (E_RNA)
where:
Base-Base interactions energy: -963.847
where: short stacking energy: -419.890
Base-Backbone interact. energy: -2.136
local terms energy: -423.936859
where:
bonds (distance) C4'-P energy: -73.871
bonds (distance) P-C4' energy: -76.751
flat angles C4'-P-C4' energy: -81.910
flat angles P-C4'-P energy: -65.742
tors. eta vs tors. theta energy: -125.663
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: 9
=====================================
Write number: 315
Temperature: 0.950000
Total energy: -1242.930307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1242.930307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1242.930307 (E_RNA)
where:
Base-Base interactions energy: -860.443
where: short stacking energy: -371.557
Base-Backbone interact. energy: -1.612
local terms energy: -380.875354
where:
bonds (distance) C4'-P energy: -73.467
bonds (distance) P-C4' energy: -85.722
flat angles C4'-P-C4' energy: -84.107
flat angles P-C4'-P energy: -46.117
tors. eta vs tors. theta energy: -91.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 315
Temperature: 1.000000
Total energy: -1298.457189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1298.457189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1298.457189 (E_RNA)
where:
Base-Base interactions energy: -869.069
where: short stacking energy: -385.157
Base-Backbone interact. energy: -0.908
local terms energy: -428.480256
where:
bonds (distance) C4'-P energy: -83.327
bonds (distance) P-C4' energy: -82.153
flat angles C4'-P-C4' energy: -86.802
flat angles P-C4'-P energy: -55.728
tors. eta vs tors. theta energy: -120.469
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: 5
=====================================
Write number: 315
Temperature: 1.050000
Total energy: -1240.972203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1240.972203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1240.972203 (E_RNA)
where:
Base-Base interactions energy: -850.243
where: short stacking energy: -372.814
Base-Backbone interact. energy: 0.514
local terms energy: -391.243421
where:
bonds (distance) C4'-P energy: -76.665
bonds (distance) P-C4' energy: -71.380
flat angles C4'-P-C4' energy: -82.140
flat angles P-C4'-P energy: -51.124
tors. eta vs tors. theta energy: -109.934
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: 5, replica: 4
=====================================
Write number: 315
Temperature: 1.100000
Total energy: -1145.998253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1145.998253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1145.998253 (E_RNA)
where:
Base-Base interactions energy: -783.117
where: short stacking energy: -318.777
Base-Backbone interact. energy: -3.404
local terms energy: -359.477794
where:
bonds (distance) C4'-P energy: -75.915
bonds (distance) P-C4' energy: -72.662
flat angles C4'-P-C4' energy: -73.502
flat angles P-C4'-P energy: -55.948
tors. eta vs tors. theta energy: -81.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 315
Temperature: 1.150000
Total energy: -1119.332651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1119.332651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1119.332651 (E_RNA)
where:
Base-Base interactions energy: -757.923
where: short stacking energy: -323.368
Base-Backbone interact. energy: 1.131
local terms energy: -362.541107
where:
bonds (distance) C4'-P energy: -67.424
bonds (distance) P-C4' energy: -77.092
flat angles C4'-P-C4' energy: -80.561
flat angles P-C4'-P energy: -40.389
tors. eta vs tors. theta energy: -97.075
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: 8
=====================================
Write number: 315
Temperature: 1.200000
Total energy: -911.736600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -911.736600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -911.736600 (E_RNA)
where:
Base-Base interactions energy: -620.620
where: short stacking energy: -292.572
Base-Backbone interact. energy: 0.656
local terms energy: -291.772460
where:
bonds (distance) C4'-P energy: -54.845
bonds (distance) P-C4' energy: -59.042
flat angles C4'-P-C4' energy: -57.085
flat angles P-C4'-P energy: -48.287
tors. eta vs tors. theta energy: -72.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 315
Temperature: 1.250000
Total energy: -751.145088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -751.145088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -751.145088 (E_RNA)
where:
Base-Base interactions energy: -462.834
where: short stacking energy: -223.798
Base-Backbone interact. energy: -1.069
local terms energy: -287.241812
where:
bonds (distance) C4'-P energy: -56.493
bonds (distance) P-C4' energy: -71.374
flat angles C4'-P-C4' energy: -72.441
flat angles P-C4'-P energy: -34.498
tors. eta vs tors. theta energy: -52.435
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: 6
=====================================
Write number: 315
Temperature: 1.300000
Total energy: -587.243728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -587.243728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -587.243728 (E_RNA)
where:
Base-Base interactions energy: -346.974
where: short stacking energy: -159.794
Base-Backbone interact. energy: 2.487
local terms energy: -242.756862
where:
bonds (distance) C4'-P energy: -58.259
bonds (distance) P-C4' energy: -72.445
flat angles C4'-P-C4' energy: -69.422
flat angles P-C4'-P energy: -39.614
tors. eta vs tors. theta energy: -3.017
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: 2
=====================================
Write number: 315
Temperature: 1.350000
Total energy: -528.425423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.425423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.425423 (E_RNA)
where:
Base-Base interactions energy: -298.147
where: short stacking energy: -147.019
Base-Backbone interact. energy: 0.270
local terms energy: -230.548781
where:
bonds (distance) C4'-P energy: -63.271
bonds (distance) P-C4' energy: -65.521
flat angles C4'-P-C4' energy: -51.948
flat angles P-C4'-P energy: -27.854
tors. eta vs tors. theta energy: -21.955
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: 316
Temperature: 0.900000
Total energy: -1381.892662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1381.892662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1381.892662 (E_RNA)
where:
Base-Base interactions energy: -953.118
where: short stacking energy: -425.126
Base-Backbone interact. energy: -0.791
local terms energy: -427.983244
where:
bonds (distance) C4'-P energy: -75.556
bonds (distance) P-C4' energy: -71.257
flat angles C4'-P-C4' energy: -89.091
flat angles P-C4'-P energy: -64.761
tors. eta vs tors. theta energy: -127.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 316
Temperature: 0.950000
Total energy: -1255.277247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1255.277247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1255.277247 (E_RNA)
where:
Base-Base interactions energy: -853.459
where: short stacking energy: -370.760
Base-Backbone interact. energy: -2.302
local terms energy: -399.515857
where:
bonds (distance) C4'-P energy: -67.762
bonds (distance) P-C4' energy: -83.387
flat angles C4'-P-C4' energy: -85.528
flat angles P-C4'-P energy: -62.422
tors. eta vs tors. theta energy: -100.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 316
Temperature: 1.000000
Total energy: -1281.855101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1281.855101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1281.855101 (E_RNA)
where:
Base-Base interactions energy: -879.455
where: short stacking energy: -380.362
Base-Backbone interact. energy: -0.585
local terms energy: -401.815009
where:
bonds (distance) C4'-P energy: -70.397
bonds (distance) P-C4' energy: -74.849
flat angles C4'-P-C4' energy: -82.740
flat angles P-C4'-P energy: -60.127
tors. eta vs tors. theta energy: -113.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 316
Temperature: 1.050000
Total energy: -1231.762635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1231.762635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1231.762635 (E_RNA)
where:
Base-Base interactions energy: -837.060
where: short stacking energy: -365.380
Base-Backbone interact. energy: -2.335
local terms energy: -392.367565
where:
bonds (distance) C4'-P energy: -78.390
bonds (distance) P-C4' energy: -73.704
flat angles C4'-P-C4' energy: -79.490
flat angles P-C4'-P energy: -54.115
tors. eta vs tors. theta energy: -106.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 316
Temperature: 1.100000
Total energy: -1113.369571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1113.369571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1113.369571 (E_RNA)
where:
Base-Base interactions energy: -760.178
where: short stacking energy: -326.900
Base-Backbone interact. energy: -2.812
local terms energy: -350.378945
where:
bonds (distance) C4'-P energy: -70.806
bonds (distance) P-C4' energy: -76.791
flat angles C4'-P-C4' energy: -75.632
flat angles P-C4'-P energy: -37.332
tors. eta vs tors. theta energy: -89.818
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: 6, replica: 4
=====================================
Write number: 316
Temperature: 1.150000
Total energy: -1061.150924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1061.150924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1061.150924 (E_RNA)
where:
Base-Base interactions energy: -733.560
where: short stacking energy: -287.302
Base-Backbone interact. energy: 0.670
local terms energy: -328.260989
where:
bonds (distance) C4'-P energy: -67.201
bonds (distance) P-C4' energy: -63.990
flat angles C4'-P-C4' energy: -76.207
flat angles P-C4'-P energy: -51.317
tors. eta vs tors. theta energy: -69.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 316
Temperature: 1.200000
Total energy: -904.693944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -904.693944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -904.693944 (E_RNA)
where:
Base-Base interactions energy: -587.948
where: short stacking energy: -264.391
Base-Backbone interact. energy: 1.497
local terms energy: -318.242726
where:
bonds (distance) C4'-P energy: -58.893
bonds (distance) P-C4' energy: -73.600
flat angles C4'-P-C4' energy: -74.260
flat angles P-C4'-P energy: -45.951
tors. eta vs tors. theta energy: -65.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 316
Temperature: 1.250000
Total energy: -755.261599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -755.261599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -755.261599 (E_RNA)
where:
Base-Base interactions energy: -494.328
where: short stacking energy: -210.146
Base-Backbone interact. energy: -1.031
local terms energy: -259.902934
where:
bonds (distance) C4'-P energy: -54.391
bonds (distance) P-C4' energy: -70.539
flat angles C4'-P-C4' energy: -64.981
flat angles P-C4'-P energy: -26.750
tors. eta vs tors. theta energy: -43.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 316
Temperature: 1.300000
Total energy: -613.973522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -613.973522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -613.973522 (E_RNA)
where:
Base-Base interactions energy: -354.216
where: short stacking energy: -183.375
Base-Backbone interact. energy: 2.089
local terms energy: -261.846102
where:
bonds (distance) C4'-P energy: -66.987
bonds (distance) P-C4' energy: -66.133
flat angles C4'-P-C4' energy: -63.590
flat angles P-C4'-P energy: -37.473
tors. eta vs tors. theta energy: -27.664
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: 10, replica: 2
=====================================
Write number: 316
Temperature: 1.350000
Total energy: -566.519528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -566.519528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -566.519528 (E_RNA)
where:
Base-Base interactions energy: -331.322
where: short stacking energy: -147.723
Base-Backbone interact. energy: 2.115
local terms energy: -237.312295
where:
bonds (distance) C4'-P energy: -50.468
bonds (distance) P-C4' energy: -78.273
flat angles C4'-P-C4' energy: -52.506
flat angles P-C4'-P energy: -46.407
tors. eta vs tors. theta energy: -9.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 317
Temperature: 0.900000
Total energy: -1393.835181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1393.835181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1393.835181 (E_RNA)
where:
Base-Base interactions energy: -947.467
where: short stacking energy: -410.736
Base-Backbone interact. energy: -1.768
local terms energy: -444.600728
where:
bonds (distance) C4'-P energy: -86.592
bonds (distance) P-C4' energy: -81.342
flat angles C4'-P-C4' energy: -84.351
flat angles P-C4'-P energy: -66.976
tors. eta vs tors. theta energy: -125.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 317
Temperature: 0.950000
Total energy: -1262.474975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1262.474975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1262.474975 (E_RNA)
where:
Base-Base interactions energy: -857.235
where: short stacking energy: -376.614
Base-Backbone interact. energy: -1.472
local terms energy: -403.767212
where:
bonds (distance) C4'-P energy: -69.979
bonds (distance) P-C4' energy: -81.234
flat angles C4'-P-C4' energy: -90.287
flat angles P-C4'-P energy: -50.535
tors. eta vs tors. theta energy: -111.733
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: 3, replica: 3
=====================================
Write number: 317
Temperature: 1.000000
Total energy: -1276.087810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1276.087810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1276.087810 (E_RNA)
where:
Base-Base interactions energy: -880.787
where: short stacking energy: -393.739
Base-Backbone interact. energy: -1.242
local terms energy: -394.058084
where:
bonds (distance) C4'-P energy: -76.220
bonds (distance) P-C4' energy: -78.187
flat angles C4'-P-C4' energy: -90.431
flat angles P-C4'-P energy: -36.247
tors. eta vs tors. theta energy: -112.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 317
Temperature: 1.050000
Total energy: -1211.733573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1211.733573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1211.733573 (E_RNA)
where:
Base-Base interactions energy: -816.001
where: short stacking energy: -359.312
Base-Backbone interact. energy: -1.530
local terms energy: -394.207408
where:
bonds (distance) C4'-P energy: -77.714
bonds (distance) P-C4' energy: -70.921
flat angles C4'-P-C4' energy: -82.750
flat angles P-C4'-P energy: -53.817
tors. eta vs tors. theta energy: -109.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.005 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 317
Temperature: 1.100000
Total energy: -1094.281535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1094.281535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1094.281535 (E_RNA)
where:
Base-Base interactions energy: -769.093
where: short stacking energy: -327.431
Base-Backbone interact. energy: -0.659
local terms energy: -324.529870
where:
bonds (distance) C4'-P energy: -59.834
bonds (distance) P-C4' energy: -63.011
flat angles C4'-P-C4' energy: -80.553
flat angles P-C4'-P energy: -35.078
tors. eta vs tors. theta energy: -86.053
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: 4
=====================================
Write number: 317
Temperature: 1.150000
Total energy: -1132.508436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1132.508436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1132.508436 (E_RNA)
where:
Base-Base interactions energy: -792.730
where: short stacking energy: -329.104
Base-Backbone interact. energy: -5.510
local terms energy: -334.267985
where:
bonds (distance) C4'-P energy: -64.882
bonds (distance) P-C4' energy: -62.718
flat angles C4'-P-C4' energy: -75.214
flat angles P-C4'-P energy: -51.522
tors. eta vs tors. theta energy: -79.931
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: 8
=====================================
Write number: 317
Temperature: 1.200000
Total energy: -857.740248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -857.740248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -857.740248 (E_RNA)
where:
Base-Base interactions energy: -530.386
where: short stacking energy: -248.020
Base-Backbone interact. energy: 0.202
local terms energy: -327.556483
where:
bonds (distance) C4'-P energy: -75.700
bonds (distance) P-C4' energy: -68.289
flat angles C4'-P-C4' energy: -71.395
flat angles P-C4'-P energy: -53.403
tors. eta vs tors. theta energy: -58.769
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: 10
=====================================
Write number: 317
Temperature: 1.250000
Total energy: -763.890711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -763.890711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -763.890711 (E_RNA)
where:
Base-Base interactions energy: -474.666
where: short stacking energy: -224.461
Base-Backbone interact. energy: -1.429
local terms energy: -287.795448
where:
bonds (distance) C4'-P energy: -74.220
bonds (distance) P-C4' energy: -59.520
flat angles C4'-P-C4' energy: -74.822
flat angles P-C4'-P energy: -44.899
tors. eta vs tors. theta energy: -34.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 317
Temperature: 1.300000
Total energy: -614.973568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -614.973568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -614.973568 (E_RNA)
where:
Base-Base interactions energy: -338.490
where: short stacking energy: -159.776
Base-Backbone interact. energy: 1.011
local terms energy: -278.345371
where:
bonds (distance) C4'-P energy: -66.328
bonds (distance) P-C4' energy: -75.503
flat angles C4'-P-C4' energy: -62.968
flat angles P-C4'-P energy: -54.219
tors. eta vs tors. theta energy: -19.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.852 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 317
Temperature: 1.350000
Total energy: -590.802778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -590.802778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -590.802778 (E_RNA)
where:
Base-Base interactions energy: -360.135
where: short stacking energy: -181.693
Base-Backbone interact. energy: -0.958
local terms energy: -229.709348
where:
bonds (distance) C4'-P energy: -57.529
bonds (distance) P-C4' energy: -53.823
flat angles C4'-P-C4' energy: -60.020
flat angles P-C4'-P energy: -40.369
tors. eta vs tors. theta energy: -17.968
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: 1, replica: 7
=====================================
Write number: 318
Temperature: 0.900000
Total energy: -1372.441683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1372.441683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1372.441683 (E_RNA)
where:
Base-Base interactions energy: -940.467
where: short stacking energy: -403.551
Base-Backbone interact. energy: -0.984
local terms energy: -430.991436
where:
bonds (distance) C4'-P energy: -78.982
bonds (distance) P-C4' energy: -78.773
flat angles C4'-P-C4' energy: -91.905
flat angles P-C4'-P energy: -54.022
tors. eta vs tors. theta energy: -127.309
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: 9
=====================================
Write number: 318
Temperature: 0.950000
Total energy: -1266.148803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1266.148803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1266.148803 (E_RNA)
where:
Base-Base interactions energy: -874.780
where: short stacking energy: -368.304
Base-Backbone interact. energy: -2.489
local terms energy: -388.879710
where:
bonds (distance) C4'-P energy: -69.485
bonds (distance) P-C4' energy: -77.642
flat angles C4'-P-C4' energy: -87.677
flat angles P-C4'-P energy: -45.806
tors. eta vs tors. theta energy: -108.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 318
Temperature: 1.000000
Total energy: -1269.772967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1269.772967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1269.772967 (E_RNA)
where:
Base-Base interactions energy: -874.865
where: short stacking energy: -396.833
Base-Backbone interact. energy: -2.258
local terms energy: -392.650625
where:
bonds (distance) C4'-P energy: -66.271
bonds (distance) P-C4' energy: -77.397
flat angles C4'-P-C4' energy: -84.890
flat angles P-C4'-P energy: -54.647
tors. eta vs tors. theta energy: -109.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 318
Temperature: 1.050000
Total energy: -1227.165264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1227.165264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1227.165264 (E_RNA)
where:
Base-Base interactions energy: -842.561
where: short stacking energy: -346.360
Base-Backbone interact. energy: 0.519
local terms energy: -385.123437
where:
bonds (distance) C4'-P energy: -67.067
bonds (distance) P-C4' energy: -76.017
flat angles C4'-P-C4' energy: -85.623
flat angles P-C4'-P energy: -57.260
tors. eta vs tors. theta energy: -99.156
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: 4
=====================================
Write number: 318
Temperature: 1.100000
Total energy: -1169.932730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1169.932730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1169.932730 (E_RNA)
where:
Base-Base interactions energy: -818.958
where: short stacking energy: -330.055
Base-Backbone interact. energy: -4.361
local terms energy: -346.613862
where:
bonds (distance) C4'-P energy: -80.150
bonds (distance) P-C4' energy: -53.000
flat angles C4'-P-C4' energy: -77.378
flat angles P-C4'-P energy: -47.708
tors. eta vs tors. theta energy: -88.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 318
Temperature: 1.150000
Total energy: -1078.660423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1078.660423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1078.660423 (E_RNA)
where:
Base-Base interactions energy: -738.411
where: short stacking energy: -317.165
Base-Backbone interact. energy: -1.032
local terms energy: -339.217541
where:
bonds (distance) C4'-P energy: -64.654
bonds (distance) P-C4' energy: -73.781
flat angles C4'-P-C4' energy: -74.822
flat angles P-C4'-P energy: -45.328
tors. eta vs tors. theta energy: -80.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 318
Temperature: 1.200000
Total energy: -842.548489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -842.548489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -842.548489 (E_RNA)
where:
Base-Base interactions energy: -548.412
where: short stacking energy: -255.419
Base-Backbone interact. energy: -0.275
local terms energy: -293.861675
where:
bonds (distance) C4'-P energy: -70.487
bonds (distance) P-C4' energy: -73.085
flat angles C4'-P-C4' energy: -55.885
flat angles P-C4'-P energy: -39.957
tors. eta vs tors. theta energy: -54.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 318
Temperature: 1.250000
Total energy: -776.592742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -776.592742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -776.592742 (E_RNA)
where:
Base-Base interactions energy: -501.298
where: short stacking energy: -233.304
Base-Backbone interact. energy: 1.551
local terms energy: -276.845538
where:
bonds (distance) C4'-P energy: -59.395
bonds (distance) P-C4' energy: -61.572
flat angles C4'-P-C4' energy: -65.142
flat angles P-C4'-P energy: -47.266
tors. eta vs tors. theta energy: -43.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 318
Temperature: 1.300000
Total energy: -615.280535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -615.280535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -615.280535 (E_RNA)
where:
Base-Base interactions energy: -371.550
where: short stacking energy: -168.193
Base-Backbone interact. energy: -0.194
local terms energy: -243.536643
where:
bonds (distance) C4'-P energy: -57.019
bonds (distance) P-C4' energy: -55.055
flat angles C4'-P-C4' energy: -63.812
flat angles P-C4'-P energy: -46.440
tors. eta vs tors. theta energy: -21.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 318
Temperature: 1.350000
Total energy: -561.081739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.081739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.081739 (E_RNA)
where:
Base-Base interactions energy: -336.787
where: short stacking energy: -174.447
Base-Backbone interact. energy: 0.850
local terms energy: -225.144978
where:
bonds (distance) C4'-P energy: -65.309
bonds (distance) P-C4' energy: -47.803
flat angles C4'-P-C4' energy: -47.757
flat angles P-C4'-P energy: -36.925
tors. eta vs tors. theta energy: -27.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 319
Temperature: 0.900000
Total energy: -1369.323898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1369.323898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1369.323898 (E_RNA)
where:
Base-Base interactions energy: -948.673
where: short stacking energy: -401.031
Base-Backbone interact. energy: -0.456
local terms energy: -420.194214
where:
bonds (distance) C4'-P energy: -75.992
bonds (distance) P-C4' energy: -67.915
flat angles C4'-P-C4' energy: -90.275
flat angles P-C4'-P energy: -63.981
tors. eta vs tors. theta energy: -122.031
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: 3
=====================================
Write number: 319
Temperature: 0.950000
Total energy: -1288.895705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1288.895705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1288.895705 (E_RNA)
where:
Base-Base interactions energy: -898.874
where: short stacking energy: -411.710
Base-Backbone interact. energy: -2.236
local terms energy: -387.785246
where:
bonds (distance) C4'-P energy: -70.152
bonds (distance) P-C4' energy: -65.569
flat angles C4'-P-C4' energy: -78.316
flat angles P-C4'-P energy: -53.852
tors. eta vs tors. theta energy: -119.896
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: 3, replica: 9
=====================================
Write number: 319
Temperature: 1.000000
Total energy: -1250.686554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1250.686554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1250.686554 (E_RNA)
where:
Base-Base interactions energy: -858.719
where: short stacking energy: -387.767
Base-Backbone interact. energy: 1.224
local terms energy: -393.190952
where:
bonds (distance) C4'-P energy: -76.738
bonds (distance) P-C4' energy: -71.115
flat angles C4'-P-C4' energy: -79.071
flat angles P-C4'-P energy: -63.372
tors. eta vs tors. theta energy: -102.895
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: 4, replica: 5
=====================================
Write number: 319
Temperature: 1.050000
Total energy: -1234.473329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1234.473329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1234.473329 (E_RNA)
where:
Base-Base interactions energy: -842.998
where: short stacking energy: -371.621
Base-Backbone interact. energy: -2.184
local terms energy: -389.290735
where:
bonds (distance) C4'-P energy: -58.274
bonds (distance) P-C4' energy: -82.000
flat angles C4'-P-C4' energy: -84.063
flat angles P-C4'-P energy: -57.673
tors. eta vs tors. theta energy: -107.281
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: 4
=====================================
Write number: 319
Temperature: 1.100000
Total energy: -1160.457301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1160.457301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1160.457301 (E_RNA)
where:
Base-Base interactions energy: -808.983
where: short stacking energy: -333.373
Base-Backbone interact. energy: -3.676
local terms energy: -347.797951
where:
bonds (distance) C4'-P energy: -68.561
bonds (distance) P-C4' energy: -70.074
flat angles C4'-P-C4' energy: -72.367
flat angles P-C4'-P energy: -48.064
tors. eta vs tors. theta energy: -88.733
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: 1
=====================================
Write number: 319
Temperature: 1.150000
Total energy: -1104.385856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1104.385856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1104.385856 (E_RNA)
where:
Base-Base interactions energy: -727.461
where: short stacking energy: -329.049
Base-Backbone interact. energy: -2.150
local terms energy: -374.774651
where:
bonds (distance) C4'-P energy: -69.240
bonds (distance) P-C4' energy: -83.738
flat angles C4'-P-C4' energy: -79.078
flat angles P-C4'-P energy: -56.251
tors. eta vs tors. theta energy: -86.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 319
Temperature: 1.200000
Total energy: -829.625298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -829.625298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -829.625298 (E_RNA)
where:
Base-Base interactions energy: -536.616
where: short stacking energy: -241.640
Base-Backbone interact. energy: -0.639
local terms energy: -292.370473
where:
bonds (distance) C4'-P energy: -64.019
bonds (distance) P-C4' energy: -70.430
flat angles C4'-P-C4' energy: -58.753
flat angles P-C4'-P energy: -48.487
tors. eta vs tors. theta energy: -50.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 319
Temperature: 1.250000
Total energy: -753.480815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -753.480815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -753.480815 (E_RNA)
where:
Base-Base interactions energy: -483.466
where: short stacking energy: -227.835
Base-Backbone interact. energy: -0.689
local terms energy: -269.325837
where:
bonds (distance) C4'-P energy: -60.554
bonds (distance) P-C4' energy: -65.844
flat angles C4'-P-C4' energy: -56.925
flat angles P-C4'-P energy: -39.967
tors. eta vs tors. theta energy: -46.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 319
Temperature: 1.300000
Total energy: -600.687976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -600.687976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -600.687976 (E_RNA)
where:
Base-Base interactions energy: -341.131
where: short stacking energy: -179.832
Base-Backbone interact. energy: -0.088
local terms energy: -259.468337
where:
bonds (distance) C4'-P energy: -61.072
bonds (distance) P-C4' energy: -56.635
flat angles C4'-P-C4' energy: -73.675
flat angles P-C4'-P energy: -42.133
tors. eta vs tors. theta energy: -25.953
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: 10, replica: 2
=====================================
Write number: 319
Temperature: 1.350000
Total energy: -646.072146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -646.072146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -646.072146 (E_RNA)
where:
Base-Base interactions energy: -418.088
where: short stacking energy: -209.304
Base-Backbone interact. energy: -0.373
local terms energy: -227.610972
where:
bonds (distance) C4'-P energy: -56.512
bonds (distance) P-C4' energy: -55.366
flat angles C4'-P-C4' energy: -64.713
flat angles P-C4'-P energy: -12.358
tors. eta vs tors. theta energy: -38.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 320
Temperature: 0.900000
Total energy: -1376.975580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1376.975580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1376.975580 (E_RNA)
where:
Base-Base interactions energy: -973.186
where: short stacking energy: -429.306
Base-Backbone interact. energy: -1.457
local terms energy: -402.332141
where:
bonds (distance) C4'-P energy: -66.100
bonds (distance) P-C4' energy: -82.035
flat angles C4'-P-C4' energy: -79.115
flat angles P-C4'-P energy: -55.226
tors. eta vs tors. theta energy: -119.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 320
Temperature: 0.950000
Total energy: -1305.371805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1305.371805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1305.371805 (E_RNA)
where:
Base-Base interactions energy: -882.606
where: short stacking energy: -387.231
Base-Backbone interact. energy: -2.698
local terms energy: -420.067894
where:
bonds (distance) C4'-P energy: -74.316
bonds (distance) P-C4' energy: -85.891
flat angles C4'-P-C4' energy: -88.390
flat angles P-C4'-P energy: -56.723
tors. eta vs tors. theta energy: -114.748
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: 9
=====================================
Write number: 320
Temperature: 1.000000
Total energy: -1238.711265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1238.711265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1238.711265 (E_RNA)
where:
Base-Base interactions energy: -877.037
where: short stacking energy: -365.982
Base-Backbone interact. energy: 0.324
local terms energy: -361.998696
where:
bonds (distance) C4'-P energy: -52.736
bonds (distance) P-C4' energy: -76.728
flat angles C4'-P-C4' energy: -77.683
flat angles P-C4'-P energy: -50.525
tors. eta vs tors. theta energy: -104.325
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: 4, replica: 5
=====================================
Write number: 320
Temperature: 1.050000
Total energy: -1273.622507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1273.622507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1273.622507 (E_RNA)
where:
Base-Base interactions energy: -890.574
where: short stacking energy: -375.641
Base-Backbone interact. energy: -3.021
local terms energy: -380.028075
where:
bonds (distance) C4'-P energy: -54.180
bonds (distance) P-C4' energy: -80.683
flat angles C4'-P-C4' energy: -82.871
flat angles P-C4'-P energy: -52.328
tors. eta vs tors. theta energy: -109.965
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: 5, replica: 4
=====================================
Write number: 320
Temperature: 1.100000
Total energy: -1154.061652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1154.061652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1154.061652 (E_RNA)
where:
Base-Base interactions energy: -814.481
where: short stacking energy: -339.904
Base-Backbone interact. energy: -3.277
local terms energy: -336.303378
where:
bonds (distance) C4'-P energy: -50.951
bonds (distance) P-C4' energy: -71.363
flat angles C4'-P-C4' energy: -77.164
flat angles P-C4'-P energy: -45.955
tors. eta vs tors. theta energy: -90.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 320
Temperature: 1.150000
Total energy: -1101.560168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1101.560168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1101.560168 (E_RNA)
where:
Base-Base interactions energy: -728.847
where: short stacking energy: -340.511
Base-Backbone interact. energy: -1.622
local terms energy: -371.091343
where:
bonds (distance) C4'-P energy: -74.336
bonds (distance) P-C4' energy: -82.178
flat angles C4'-P-C4' energy: -78.797
flat angles P-C4'-P energy: -40.180
tors. eta vs tors. theta energy: -95.599
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: 7, replica: 10
=====================================
Write number: 320
Temperature: 1.200000
Total energy: -895.827215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -895.827215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -895.827215 (E_RNA)
where:
Base-Base interactions energy: -566.843
where: short stacking energy: -259.873
Base-Backbone interact. energy: -3.524
local terms energy: -325.460163
where:
bonds (distance) C4'-P energy: -68.261
bonds (distance) P-C4' energy: -69.288
flat angles C4'-P-C4' energy: -77.461
flat angles P-C4'-P energy: -49.782
tors. eta vs tors. theta energy: -60.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 320
Temperature: 1.250000
Total energy: -725.444798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -725.444798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -725.444798 (E_RNA)
where:
Base-Base interactions energy: -456.329
where: short stacking energy: -212.320
Base-Backbone interact. energy: 1.765
local terms energy: -270.880796
where:
bonds (distance) C4'-P energy: -56.407
bonds (distance) P-C4' energy: -68.294
flat angles C4'-P-C4' energy: -80.445
flat angles P-C4'-P energy: -31.564
tors. eta vs tors. theta energy: -34.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 320
Temperature: 1.300000
Total energy: -660.621340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -660.621340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -660.621340 (E_RNA)
where:
Base-Base interactions energy: -385.068
where: short stacking energy: -195.374
Base-Backbone interact. energy: -1.907
local terms energy: -273.646520
where:
bonds (distance) C4'-P energy: -55.581
bonds (distance) P-C4' energy: -67.603
flat angles C4'-P-C4' energy: -63.439
flat angles P-C4'-P energy: -48.618
tors. eta vs tors. theta energy: -38.406
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: 10, replica: 6
=====================================
Write number: 320
Temperature: 1.350000
Total energy: -563.750571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -563.750571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -563.750571 (E_RNA)
where:
Base-Base interactions energy: -332.756
where: short stacking energy: -182.104
Base-Backbone interact. energy: -0.008
local terms energy: -230.986634
where:
bonds (distance) C4'-P energy: -49.123
bonds (distance) P-C4' energy: -64.810
flat angles C4'-P-C4' energy: -61.308
flat angles P-C4'-P energy: -34.539
tors. eta vs tors. theta energy: -21.207
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: 7
=====================================
Write number: 321
Temperature: 0.900000
Total energy: -1375.821534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1375.821534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1375.821534 (E_RNA)
where:
Base-Base interactions energy: -956.450
where: short stacking energy: -396.793
Base-Backbone interact. energy: -1.530
local terms energy: -417.841887
where:
bonds (distance) C4'-P energy: -81.314
bonds (distance) P-C4' energy: -73.585
flat angles C4'-P-C4' energy: -91.198
flat angles P-C4'-P energy: -57.376
tors. eta vs tors. theta energy: -114.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 321
Temperature: 0.950000
Total energy: -1304.972816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1304.972816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1304.972816 (E_RNA)
where:
Base-Base interactions energy: -901.718
where: short stacking energy: -380.936
Base-Backbone interact. energy: 0.076
local terms energy: -403.330431
where:
bonds (distance) C4'-P energy: -74.181
bonds (distance) P-C4' energy: -83.680
flat angles C4'-P-C4' energy: -93.069
flat angles P-C4'-P energy: -40.028
tors. eta vs tors. theta energy: -112.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 321
Temperature: 1.000000
Total energy: -1208.453460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1208.453460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1208.453460 (E_RNA)
where:
Base-Base interactions energy: -824.218
where: short stacking energy: -351.158
Base-Backbone interact. energy: -1.009
local terms energy: -383.226431
where:
bonds (distance) C4'-P energy: -69.745
bonds (distance) P-C4' energy: -62.301
flat angles C4'-P-C4' energy: -85.690
flat angles P-C4'-P energy: -58.244
tors. eta vs tors. theta energy: -107.246
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: 4, replica: 5
=====================================
Write number: 321
Temperature: 1.050000
Total energy: -1235.659457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1235.659457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1235.659457 (E_RNA)
where:
Base-Base interactions energy: -866.786
where: short stacking energy: -362.063
Base-Backbone interact. energy: -0.171
local terms energy: -368.702126
where:
bonds (distance) C4'-P energy: -73.360
bonds (distance) P-C4' energy: -70.686
flat angles C4'-P-C4' energy: -69.628
flat angles P-C4'-P energy: -51.702
tors. eta vs tors. theta energy: -103.327
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: 4
=====================================
Write number: 321
Temperature: 1.100000
Total energy: -1161.867637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1161.867637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1161.867637 (E_RNA)
where:
Base-Base interactions energy: -807.721
where: short stacking energy: -310.156
Base-Backbone interact. energy: -2.248
local terms energy: -351.898258
where:
bonds (distance) C4'-P energy: -59.086
bonds (distance) P-C4' energy: -75.541
flat angles C4'-P-C4' energy: -81.734
flat angles P-C4'-P energy: -56.176
tors. eta vs tors. theta energy: -79.361
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: 1
=====================================
Write number: 321
Temperature: 1.150000
Total energy: -1075.275558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1075.275558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1075.275558 (E_RNA)
where:
Base-Base interactions energy: -726.624
where: short stacking energy: -328.239
Base-Backbone interact. energy: 2.707
local terms energy: -351.357997
where:
bonds (distance) C4'-P energy: -54.340
bonds (distance) P-C4' energy: -77.743
flat angles C4'-P-C4' energy: -77.380
flat angles P-C4'-P energy: -46.243
tors. eta vs tors. theta energy: -95.652
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: 10
=====================================
Write number: 321
Temperature: 1.200000
Total energy: -900.955331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -900.955331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -900.955331 (E_RNA)
where:
Base-Base interactions energy: -620.815
where: short stacking energy: -254.933
Base-Backbone interact. energy: -1.580
local terms energy: -278.560500
where:
bonds (distance) C4'-P energy: -58.680
bonds (distance) P-C4' energy: -58.761
flat angles C4'-P-C4' energy: -67.553
flat angles P-C4'-P energy: -44.850
tors. eta vs tors. theta energy: -48.716
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: 8
=====================================
Write number: 321
Temperature: 1.250000
Total energy: -747.775353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -747.775353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -747.775353 (E_RNA)
where:
Base-Base interactions energy: -469.765
where: short stacking energy: -228.776
Base-Backbone interact. energy: -0.974
local terms energy: -277.036471
where:
bonds (distance) C4'-P energy: -64.773
bonds (distance) P-C4' energy: -58.673
flat angles C4'-P-C4' energy: -59.638
flat angles P-C4'-P energy: -52.329
tors. eta vs tors. theta energy: -41.624
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: 2
=====================================
Write number: 321
Temperature: 1.300000
Total energy: -650.520248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -650.520248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -650.520248 (E_RNA)
where:
Base-Base interactions energy: -378.196
where: short stacking energy: -184.447
Base-Backbone interact. energy: -0.061
local terms energy: -272.263182
where:
bonds (distance) C4'-P energy: -59.949
bonds (distance) P-C4' energy: -61.544
flat angles C4'-P-C4' energy: -74.038
flat angles P-C4'-P energy: -42.860
tors. eta vs tors. theta energy: -33.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 321
Temperature: 1.350000
Total energy: -531.030983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.030983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.030983 (E_RNA)
where:
Base-Base interactions energy: -294.092
where: short stacking energy: -145.577
Base-Backbone interact. energy: 3.382
local terms energy: -240.321130
where:
bonds (distance) C4'-P energy: -59.419
bonds (distance) P-C4' energy: -76.009
flat angles C4'-P-C4' energy: -55.634
flat angles P-C4'-P energy: -38.937
tors. eta vs tors. theta energy: -10.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 322
Temperature: 0.900000
Total energy: -1360.648134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1360.648134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1360.648134 (E_RNA)
where:
Base-Base interactions energy: -962.761
where: short stacking energy: -421.419
Base-Backbone interact. energy: -2.300
local terms energy: -395.587379
where:
bonds (distance) C4'-P energy: -69.884
bonds (distance) P-C4' energy: -70.806
flat angles C4'-P-C4' energy: -85.999
flat angles P-C4'-P energy: -47.947
tors. eta vs tors. theta energy: -120.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 322
Temperature: 0.950000
Total energy: -1304.207882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1304.207882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1304.207882 (E_RNA)
where:
Base-Base interactions energy: -896.520
where: short stacking energy: -389.761
Base-Backbone interact. energy: 0.939
local terms energy: -408.626833
where:
bonds (distance) C4'-P energy: -78.502
bonds (distance) P-C4' energy: -76.661
flat angles C4'-P-C4' energy: -84.843
flat angles P-C4'-P energy: -57.790
tors. eta vs tors. theta energy: -110.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 322
Temperature: 1.000000
Total energy: -1263.285899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1263.285899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1263.285899 (E_RNA)
where:
Base-Base interactions energy: -878.621
where: short stacking energy: -379.296
Base-Backbone interact. energy: -0.513
local terms energy: -384.152676
where:
bonds (distance) C4'-P energy: -77.365
bonds (distance) P-C4' energy: -66.334
flat angles C4'-P-C4' energy: -69.136
flat angles P-C4'-P energy: -58.462
tors. eta vs tors. theta energy: -112.855
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: 9
=====================================
Write number: 322
Temperature: 1.050000
Total energy: -1218.784075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1218.784075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1218.784075 (E_RNA)
where:
Base-Base interactions energy: -851.425
where: short stacking energy: -370.240
Base-Backbone interact. energy: -0.762
local terms energy: -366.597015
where:
bonds (distance) C4'-P energy: -60.745
bonds (distance) P-C4' energy: -65.984
flat angles C4'-P-C4' energy: -81.113
flat angles P-C4'-P energy: -57.268
tors. eta vs tors. theta energy: -101.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 322
Temperature: 1.100000
Total energy: -1175.817360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1175.817360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1175.817360 (E_RNA)
where:
Base-Base interactions energy: -825.755
where: short stacking energy: -333.376
Base-Backbone interact. energy: 1.328
local terms energy: -351.390775
where:
bonds (distance) C4'-P energy: -73.638
bonds (distance) P-C4' energy: -76.918
flat angles C4'-P-C4' energy: -81.664
flat angles P-C4'-P energy: -42.581
tors. eta vs tors. theta energy: -76.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 322
Temperature: 1.150000
Total energy: -1054.973809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1054.973809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1054.973809 (E_RNA)
where:
Base-Base interactions energy: -702.082
where: short stacking energy: -318.609
Base-Backbone interact. energy: -0.632
local terms energy: -352.259915
where:
bonds (distance) C4'-P energy: -70.091
bonds (distance) P-C4' energy: -60.036
flat angles C4'-P-C4' energy: -75.749
flat angles P-C4'-P energy: -50.032
tors. eta vs tors. theta energy: -96.351
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: 322
Temperature: 1.200000
Total energy: -928.138000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -928.138000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -928.138000 (E_RNA)
where:
Base-Base interactions energy: -634.162
where: short stacking energy: -280.705
Base-Backbone interact. energy: 3.703
local terms energy: -297.678798
where:
bonds (distance) C4'-P energy: -65.381
bonds (distance) P-C4' energy: -56.006
flat angles C4'-P-C4' energy: -78.009
flat angles P-C4'-P energy: -32.043
tors. eta vs tors. theta energy: -66.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 322
Temperature: 1.250000
Total energy: -707.981993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -707.981993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -707.981993 (E_RNA)
where:
Base-Base interactions energy: -427.255
where: short stacking energy: -183.725
Base-Backbone interact. energy: -0.474
local terms energy: -280.253074
where:
bonds (distance) C4'-P energy: -73.798
bonds (distance) P-C4' energy: -75.316
flat angles C4'-P-C4' energy: -68.322
flat angles P-C4'-P energy: -43.450
tors. eta vs tors. theta energy: -19.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 322
Temperature: 1.300000
Total energy: -723.162792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -723.162792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -723.162792 (E_RNA)
where:
Base-Base interactions energy: -450.566
where: short stacking energy: -203.818
Base-Backbone interact. energy: 0.758
local terms energy: -273.354952
where:
bonds (distance) C4'-P energy: -60.677
bonds (distance) P-C4' energy: -65.823
flat angles C4'-P-C4' energy: -68.883
flat angles P-C4'-P energy: -33.226
tors. eta vs tors. theta energy: -44.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 322
Temperature: 1.350000
Total energy: -522.592626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.592626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.592626 (E_RNA)
where:
Base-Base interactions energy: -295.398
where: short stacking energy: -140.094
Base-Backbone interact. energy: -0.349
local terms energy: -226.845500
where:
bonds (distance) C4'-P energy: -58.131
bonds (distance) P-C4' energy: -67.266
flat angles C4'-P-C4' energy: -64.283
flat angles P-C4'-P energy: -37.517
tors. eta vs tors. theta energy: 0.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 323
Temperature: 0.900000
Total energy: -1354.823120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1354.823120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1354.823120 (E_RNA)
where:
Base-Base interactions energy: -931.422
where: short stacking energy: -388.304
Base-Backbone interact. energy: -0.971
local terms energy: -424.138868
where:
bonds (distance) C4'-P energy: -81.798
bonds (distance) P-C4' energy: -84.810
flat angles C4'-P-C4' energy: -85.754
flat angles P-C4'-P energy: -63.430
tors. eta vs tors. theta energy: -108.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.709 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 323
Temperature: 0.950000
Total energy: -1309.405973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1309.405973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1309.405973 (E_RNA)
where:
Base-Base interactions energy: -892.595
where: short stacking energy: -396.792
Base-Backbone interact. energy: -0.870
local terms energy: -415.941477
where:
bonds (distance) C4'-P energy: -70.355
bonds (distance) P-C4' energy: -80.275
flat angles C4'-P-C4' energy: -93.942
flat angles P-C4'-P energy: -55.307
tors. eta vs tors. theta energy: -116.062
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: 5
=====================================
Write number: 323
Temperature: 1.000000
Total energy: -1260.448244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1260.448244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1260.448244 (E_RNA)
where:
Base-Base interactions energy: -873.510
where: short stacking energy: -379.879
Base-Backbone interact. energy: -0.489
local terms energy: -386.449315
where:
bonds (distance) C4'-P energy: -63.937
bonds (distance) P-C4' energy: -80.781
flat angles C4'-P-C4' energy: -83.202
flat angles P-C4'-P energy: -51.200
tors. eta vs tors. theta energy: -107.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 323
Temperature: 1.050000
Total energy: -1228.235122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1228.235122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1228.235122 (E_RNA)
where:
Base-Base interactions energy: -852.844
where: short stacking energy: -366.288
Base-Backbone interact. energy: -1.238
local terms energy: -374.153316
where:
bonds (distance) C4'-P energy: -70.467
bonds (distance) P-C4' energy: -76.150
flat angles C4'-P-C4' energy: -78.420
flat angles P-C4'-P energy: -55.793
tors. eta vs tors. theta energy: -93.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 323
Temperature: 1.100000
Total energy: -1144.517456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1144.517456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1144.517456 (E_RNA)
where:
Base-Base interactions energy: -800.881
where: short stacking energy: -318.048
Base-Backbone interact. energy: -3.089
local terms energy: -340.546863
where:
bonds (distance) C4'-P energy: -65.436
bonds (distance) P-C4' energy: -70.221
flat angles C4'-P-C4' energy: -69.212
flat angles P-C4'-P energy: -52.168
tors. eta vs tors. theta energy: -83.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 323
Temperature: 1.150000
Total energy: -989.792085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -989.792085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -989.792085 (E_RNA)
where:
Base-Base interactions energy: -637.129
where: short stacking energy: -260.237
Base-Backbone interact. energy: -1.481
local terms energy: -351.182458
where:
bonds (distance) C4'-P energy: -71.686
bonds (distance) P-C4' energy: -91.711
flat angles C4'-P-C4' energy: -79.449
flat angles P-C4'-P energy: -41.837
tors. eta vs tors. theta energy: -66.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 323
Temperature: 1.200000
Total energy: -1023.324045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1023.324045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1023.324045 (E_RNA)
where:
Base-Base interactions energy: -656.340
where: short stacking energy: -288.603
Base-Backbone interact. energy: -2.451
local terms energy: -364.533489
where:
bonds (distance) C4'-P energy: -73.012
bonds (distance) P-C4' energy: -69.955
flat angles C4'-P-C4' energy: -74.938
flat angles P-C4'-P energy: -52.726
tors. eta vs tors. theta energy: -93.902
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: 323
Temperature: 1.250000
Total energy: -731.567525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -731.567525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -731.567525 (E_RNA)
where:
Base-Base interactions energy: -460.315
where: short stacking energy: -217.929
Base-Backbone interact. energy: -1.356
local terms energy: -269.896358
where:
bonds (distance) C4'-P energy: -69.056
bonds (distance) P-C4' energy: -59.586
flat angles C4'-P-C4' energy: -76.573
flat angles P-C4'-P energy: -40.637
tors. eta vs tors. theta energy: -24.045
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: 9, replica: 8
=====================================
Write number: 323
Temperature: 1.300000
Total energy: -739.321512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -739.321512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -739.321512 (E_RNA)
where:
Base-Base interactions energy: -455.647
where: short stacking energy: -207.115
Base-Backbone interact. energy: -1.069
local terms energy: -282.605865
where:
bonds (distance) C4'-P energy: -53.725
bonds (distance) P-C4' energy: -67.241
flat angles C4'-P-C4' energy: -57.093
flat angles P-C4'-P energy: -53.653
tors. eta vs tors. theta energy: -50.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 323
Temperature: 1.350000
Total energy: -527.694734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.694734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.694734 (E_RNA)
where:
Base-Base interactions energy: -307.244
where: short stacking energy: -139.625
Base-Backbone interact. energy: 0.152
local terms energy: -221.700315
where:
bonds (distance) C4'-P energy: -61.913
bonds (distance) P-C4' energy: -60.761
flat angles C4'-P-C4' energy: -53.587
flat angles P-C4'-P energy: -38.397
tors. eta vs tors. theta energy: -7.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.098 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 324
Temperature: 0.900000
Total energy: -1364.143205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1364.143205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1364.143205 (E_RNA)
where:
Base-Base interactions energy: -937.727
where: short stacking energy: -398.560
Base-Backbone interact. energy: 1.260
local terms energy: -427.676075
where:
bonds (distance) C4'-P energy: -75.895
bonds (distance) P-C4' energy: -74.179
flat angles C4'-P-C4' energy: -90.786
flat angles P-C4'-P energy: -69.511
tors. eta vs tors. theta energy: -117.306
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: 3
=====================================
Write number: 324
Temperature: 0.950000
Total energy: -1332.583852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1332.583852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1332.583852 (E_RNA)
where:
Base-Base interactions energy: -911.232
where: short stacking energy: -384.223
Base-Backbone interact. energy: -1.483
local terms energy: -419.869157
where:
bonds (distance) C4'-P energy: -74.406
bonds (distance) P-C4' energy: -80.820
flat angles C4'-P-C4' energy: -89.618
flat angles P-C4'-P energy: -54.202
tors. eta vs tors. theta energy: -120.824
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: 5
=====================================
Write number: 324
Temperature: 1.000000
Total energy: -1271.226804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1271.226804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1271.226804 (E_RNA)
where:
Base-Base interactions energy: -877.977
where: short stacking energy: -366.409
Base-Backbone interact. energy: -0.455
local terms energy: -392.794284
where:
bonds (distance) C4'-P energy: -76.971
bonds (distance) P-C4' energy: -63.889
flat angles C4'-P-C4' energy: -92.114
flat angles P-C4'-P energy: -55.553
tors. eta vs tors. theta energy: -104.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 324
Temperature: 1.050000
Total energy: -1206.772573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1206.772573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1206.772573 (E_RNA)
where:
Base-Base interactions energy: -846.000
where: short stacking energy: -364.910
Base-Backbone interact. energy: 1.818
local terms energy: -362.590437
where:
bonds (distance) C4'-P energy: -67.626
bonds (distance) P-C4' energy: -59.789
flat angles C4'-P-C4' energy: -80.860
flat angles P-C4'-P energy: -47.366
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: 5, replica: 4
=====================================
Write number: 324
Temperature: 1.100000
Total energy: -1144.218536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1144.218536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1144.218536 (E_RNA)
where:
Base-Base interactions energy: -785.691
where: short stacking energy: -331.379
Base-Backbone interact. energy: -1.638
local terms energy: -356.890272
where:
bonds (distance) C4'-P energy: -60.954
bonds (distance) P-C4' energy: -64.701
flat angles C4'-P-C4' energy: -84.662
flat angles P-C4'-P energy: -59.105
tors. eta vs tors. theta energy: -87.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 324
Temperature: 1.150000
Total energy: -988.892376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -988.892376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -988.892376 (E_RNA)
where:
Base-Base interactions energy: -657.158
where: short stacking energy: -296.468
Base-Backbone interact. energy: -1.618
local terms energy: -330.116623
where:
bonds (distance) C4'-P energy: -56.180
bonds (distance) P-C4' energy: -72.884
flat angles C4'-P-C4' energy: -77.817
flat angles P-C4'-P energy: -47.490
tors. eta vs tors. theta energy: -75.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 324
Temperature: 1.200000
Total energy: -975.808888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -975.808888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -975.808888 (E_RNA)
where:
Base-Base interactions energy: -658.320
where: short stacking energy: -301.865
Base-Backbone interact. energy: -1.082
local terms energy: -316.406661
where:
bonds (distance) C4'-P energy: -56.319
bonds (distance) P-C4' energy: -72.809
flat angles C4'-P-C4' energy: -76.482
flat angles P-C4'-P energy: -32.814
tors. eta vs tors. theta energy: -77.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 324
Temperature: 1.250000
Total energy: -719.334996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -719.334996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -719.334996 (E_RNA)
where:
Base-Base interactions energy: -445.672
where: short stacking energy: -208.180
Base-Backbone interact. energy: -0.982
local terms energy: -272.681083
where:
bonds (distance) C4'-P energy: -68.042
bonds (distance) P-C4' energy: -68.709
flat angles C4'-P-C4' energy: -62.055
flat angles P-C4'-P energy: -28.620
tors. eta vs tors. theta energy: -45.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 324
Temperature: 1.300000
Total energy: -789.570123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -789.570123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -789.570123 (E_RNA)
where:
Base-Base interactions energy: -491.477
where: short stacking energy: -210.173
Base-Backbone interact. energy: 2.458
local terms energy: -300.550868
where:
bonds (distance) C4'-P energy: -65.236
bonds (distance) P-C4' energy: -70.864
flat angles C4'-P-C4' energy: -72.980
flat angles P-C4'-P energy: -44.955
tors. eta vs tors. theta energy: -46.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 324
Temperature: 1.350000
Total energy: -567.447559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -567.447559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -567.447559 (E_RNA)
where:
Base-Base interactions energy: -335.304
where: short stacking energy: -172.611
Base-Backbone interact. energy: -0.567
local terms energy: -233.406423
where:
bonds (distance) C4'-P energy: -46.455
bonds (distance) P-C4' energy: -70.298
flat angles C4'-P-C4' energy: -61.909
flat angles P-C4'-P energy: -41.111
tors. eta vs tors. theta energy: -13.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.830 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 325
Temperature: 0.900000
Total energy: -1359.490742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1359.490742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1359.490742 (E_RNA)
where:
Base-Base interactions energy: -943.050
where: short stacking energy: -397.780
Base-Backbone interact. energy: -3.064
local terms energy: -413.376517
where:
bonds (distance) C4'-P energy: -74.437
bonds (distance) P-C4' energy: -81.741
flat angles C4'-P-C4' energy: -91.808
flat angles P-C4'-P energy: -54.482
tors. eta vs tors. theta energy: -110.909
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: 3
=====================================
Write number: 325
Temperature: 0.950000
Total energy: -1348.511258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1348.511258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1348.511258 (E_RNA)
where:
Base-Base interactions energy: -921.193
where: short stacking energy: -405.517
Base-Backbone interact. energy: -0.232
local terms energy: -427.085765
where:
bonds (distance) C4'-P energy: -78.688
bonds (distance) P-C4' energy: -77.336
flat angles C4'-P-C4' energy: -88.147
flat angles P-C4'-P energy: -57.055
tors. eta vs tors. theta energy: -125.860
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: 5
=====================================
Write number: 325
Temperature: 1.000000
Total energy: -1271.157422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1271.157422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1271.157422 (E_RNA)
where:
Base-Base interactions energy: -879.079
where: short stacking energy: -361.034
Base-Backbone interact. energy: -1.438
local terms energy: -390.641008
where:
bonds (distance) C4'-P energy: -65.800
bonds (distance) P-C4' energy: -82.348
flat angles C4'-P-C4' energy: -77.151
flat angles P-C4'-P energy: -58.478
tors. eta vs tors. theta energy: -106.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 325
Temperature: 1.050000
Total energy: -1188.128004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1188.128004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1188.128004 (E_RNA)
where:
Base-Base interactions energy: -808.732
where: short stacking energy: -352.661
Base-Backbone interact. energy: 2.898
local terms energy: -382.293638
where:
bonds (distance) C4'-P energy: -70.580
bonds (distance) P-C4' energy: -74.757
flat angles C4'-P-C4' energy: -80.367
flat angles P-C4'-P energy: -53.240
tors. eta vs tors. theta energy: -103.350
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: 4
=====================================
Write number: 325
Temperature: 1.100000
Total energy: -1153.721105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1153.721105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1153.721105 (E_RNA)
where:
Base-Base interactions energy: -783.417
where: short stacking energy: -335.242
Base-Backbone interact. energy: -2.319
local terms energy: -367.985385
where:
bonds (distance) C4'-P energy: -72.264
bonds (distance) P-C4' energy: -70.599
flat angles C4'-P-C4' energy: -81.865
flat angles P-C4'-P energy: -49.867
tors. eta vs tors. theta energy: -93.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 325
Temperature: 1.150000
Total energy: -980.628743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -980.628743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -980.628743 (E_RNA)
where:
Base-Base interactions energy: -668.512
where: short stacking energy: -284.167
Base-Backbone interact. energy: -1.021
local terms energy: -311.095276
where:
bonds (distance) C4'-P energy: -57.853
bonds (distance) P-C4' energy: -72.339
flat angles C4'-P-C4' energy: -73.106
flat angles P-C4'-P energy: -51.253
tors. eta vs tors. theta energy: -56.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 325
Temperature: 1.200000
Total energy: -1010.570801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1010.570801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1010.570801 (E_RNA)
where:
Base-Base interactions energy: -689.387
where: short stacking energy: -309.956
Base-Backbone interact. energy: 1.573
local terms energy: -322.756918
where:
bonds (distance) C4'-P energy: -47.254
bonds (distance) P-C4' energy: -79.839
flat angles C4'-P-C4' energy: -71.124
flat angles P-C4'-P energy: -44.433
tors. eta vs tors. theta energy: -80.108
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: 8, replica: 8
=====================================
Write number: 325
Temperature: 1.250000
Total energy: -809.641572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -809.641572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -809.641572 (E_RNA)
where:
Base-Base interactions energy: -499.990
where: short stacking energy: -242.342
Base-Backbone interact. energy: 0.536
local terms energy: -310.188026
where:
bonds (distance) C4'-P energy: -67.238
bonds (distance) P-C4' energy: -82.804
flat angles C4'-P-C4' energy: -65.344
flat angles P-C4'-P energy: -44.908
tors. eta vs tors. theta energy: -49.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 325
Temperature: 1.300000
Total energy: -682.239862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -682.239862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -682.239862 (E_RNA)
where:
Base-Base interactions energy: -443.791
where: short stacking energy: -211.087
Base-Backbone interact. energy: -1.283
local terms energy: -237.166652
where:
bonds (distance) C4'-P energy: -62.683
bonds (distance) P-C4' energy: -52.267
flat angles C4'-P-C4' energy: -54.015
flat angles P-C4'-P energy: -40.208
tors. eta vs tors. theta energy: -27.994
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: 10, replica: 6
=====================================
Write number: 325
Temperature: 1.350000
Total energy: -546.871518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.871518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.871518 (E_RNA)
where:
Base-Base interactions energy: -309.954
where: short stacking energy: -151.073
Base-Backbone interact. energy: 5.350
local terms energy: -242.267692
where:
bonds (distance) C4'-P energy: -57.776
bonds (distance) P-C4' energy: -75.623
flat angles C4'-P-C4' energy: -55.400
flat angles P-C4'-P energy: -40.819
tors. eta vs tors. theta energy: -12.649
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: 7
=====================================
Write number: 326
Temperature: 0.900000
Total energy: -1343.575763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1343.575763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1343.575763 (E_RNA)
where:
Base-Base interactions energy: -928.845
where: short stacking energy: -401.140
Base-Backbone interact. energy: -1.099
local terms energy: -413.631476
where:
bonds (distance) C4'-P energy: -74.621
bonds (distance) P-C4' energy: -79.172
flat angles C4'-P-C4' energy: -85.710
flat angles P-C4'-P energy: -60.494
tors. eta vs tors. theta energy: -113.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 326
Temperature: 0.950000
Total energy: -1325.155399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1325.155399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1325.155399 (E_RNA)
where:
Base-Base interactions energy: -898.853
where: short stacking energy: -396.974
Base-Backbone interact. energy: -2.131
local terms energy: -424.171258
where:
bonds (distance) C4'-P energy: -80.562
bonds (distance) P-C4' energy: -78.742
flat angles C4'-P-C4' energy: -93.056
flat angles P-C4'-P energy: -46.842
tors. eta vs tors. theta energy: -124.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 326
Temperature: 1.000000
Total energy: -1280.896958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1280.896958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1280.896958 (E_RNA)
where:
Base-Base interactions energy: -907.713
where: short stacking energy: -375.684
Base-Backbone interact. energy: -1.617
local terms energy: -371.566901
where:
bonds (distance) C4'-P energy: -65.446
bonds (distance) P-C4' energy: -70.002
flat angles C4'-P-C4' energy: -84.186
flat angles P-C4'-P energy: -45.314
tors. eta vs tors. theta energy: -106.620
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: 4, replica: 9
=====================================
Write number: 326
Temperature: 1.050000
Total energy: -1170.334258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1170.334258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1170.334258 (E_RNA)
where:
Base-Base interactions energy: -800.952
where: short stacking energy: -338.892
Base-Backbone interact. energy: 0.427
local terms energy: -369.809457
where:
bonds (distance) C4'-P energy: -71.627
bonds (distance) P-C4' energy: -68.784
flat angles C4'-P-C4' energy: -73.331
flat angles P-C4'-P energy: -56.320
tors. eta vs tors. theta energy: -99.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 326
Temperature: 1.100000
Total energy: -1140.099068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1140.099068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1140.099068 (E_RNA)
where:
Base-Base interactions energy: -782.891
where: short stacking energy: -314.295
Base-Backbone interact. energy: -0.642
local terms energy: -356.565948
where:
bonds (distance) C4'-P energy: -68.510
bonds (distance) P-C4' energy: -76.706
flat angles C4'-P-C4' energy: -79.423
flat angles P-C4'-P energy: -50.197
tors. eta vs tors. theta energy: -81.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 326
Temperature: 1.150000
Total energy: -991.673671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -991.673671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -991.673671 (E_RNA)
where:
Base-Base interactions energy: -684.518
where: short stacking energy: -304.536
Base-Backbone interact. energy: -0.333
local terms energy: -306.822147
where:
bonds (distance) C4'-P energy: -57.328
bonds (distance) P-C4' energy: -66.122
flat angles C4'-P-C4' energy: -76.661
flat angles P-C4'-P energy: -32.760
tors. eta vs tors. theta energy: -73.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 326
Temperature: 1.200000
Total energy: -1028.361933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1028.361933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1028.361933 (E_RNA)
where:
Base-Base interactions energy: -696.461
where: short stacking energy: -314.079
Base-Backbone interact. energy: -3.169
local terms energy: -328.732064
where:
bonds (distance) C4'-P energy: -55.608
bonds (distance) P-C4' energy: -59.878
flat angles C4'-P-C4' energy: -76.556
flat angles P-C4'-P energy: -43.290
tors. eta vs tors. theta energy: -93.399
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: 8
=====================================
Write number: 326
Temperature: 1.250000
Total energy: -806.035867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -806.035867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -806.035867 (E_RNA)
where:
Base-Base interactions energy: -509.941
where: short stacking energy: -242.948
Base-Backbone interact. energy: -1.213
local terms energy: -294.881983
where:
bonds (distance) C4'-P energy: -58.827
bonds (distance) P-C4' energy: -75.186
flat angles C4'-P-C4' energy: -65.463
flat angles P-C4'-P energy: -47.678
tors. eta vs tors. theta energy: -47.728
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: 9, replica: 6
=====================================
Write number: 326
Temperature: 1.300000
Total energy: -598.755039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -598.755039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -598.755039 (E_RNA)
where:
Base-Base interactions energy: -337.524
where: short stacking energy: -177.699
Base-Backbone interact. energy: 1.533
local terms energy: -262.764484
where:
bonds (distance) C4'-P energy: -63.189
bonds (distance) P-C4' energy: -59.684
flat angles C4'-P-C4' energy: -61.855
flat angles P-C4'-P energy: -42.590
tors. eta vs tors. theta energy: -35.447
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: 2
=====================================
Write number: 326
Temperature: 1.350000
Total energy: -601.542049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -601.542049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -601.542049 (E_RNA)
where:
Base-Base interactions energy: -366.290
where: short stacking energy: -167.057
Base-Backbone interact. energy: -0.449
local terms energy: -234.802409
where:
bonds (distance) C4'-P energy: -61.342
bonds (distance) P-C4' energy: -67.324
flat angles C4'-P-C4' energy: -58.741
flat angles P-C4'-P energy: -26.584
tors. eta vs tors. theta energy: -20.811
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: 7
=====================================
Write number: 327
Temperature: 0.900000
Total energy: -1369.921713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1369.921713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1369.921713 (E_RNA)
where:
Base-Base interactions energy: -945.668
where: short stacking energy: -405.760
Base-Backbone interact. energy: -2.609
local terms energy: -421.644573
where:
bonds (distance) C4'-P energy: -82.958
bonds (distance) P-C4' energy: -83.005
flat angles C4'-P-C4' energy: -83.760
flat angles P-C4'-P energy: -64.447
tors. eta vs tors. theta energy: -107.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 327
Temperature: 0.950000
Total energy: -1310.621800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1310.621800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1310.621800 (E_RNA)
where:
Base-Base interactions energy: -894.044
where: short stacking energy: -381.058
Base-Backbone interact. energy: -2.018
local terms energy: -414.560584
where:
bonds (distance) C4'-P energy: -61.665
bonds (distance) P-C4' energy: -83.028
flat angles C4'-P-C4' energy: -88.198
flat angles P-C4'-P energy: -63.850
tors. eta vs tors. theta energy: -117.819
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: 3
=====================================
Write number: 327
Temperature: 1.000000
Total energy: -1285.743380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1285.743380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1285.743380 (E_RNA)
where:
Base-Base interactions energy: -864.453
where: short stacking energy: -369.977
Base-Backbone interact. energy: 0.340
local terms energy: -421.629702
where:
bonds (distance) C4'-P energy: -87.464
bonds (distance) P-C4' energy: -71.865
flat angles C4'-P-C4' energy: -85.072
flat angles P-C4'-P energy: -60.027
tors. eta vs tors. theta energy: -117.201
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: 9
=====================================
Write number: 327
Temperature: 1.050000
Total energy: -1218.221384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1218.221384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1218.221384 (E_RNA)
where:
Base-Base interactions energy: -838.621
where: short stacking energy: -363.973
Base-Backbone interact. energy: -1.379
local terms energy: -378.221267
where:
bonds (distance) C4'-P energy: -70.588
bonds (distance) P-C4' energy: -77.330
flat angles C4'-P-C4' energy: -76.791
flat angles P-C4'-P energy: -51.534
tors. eta vs tors. theta energy: -101.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 327
Temperature: 1.100000
Total energy: -1146.679999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1146.679999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1146.679999 (E_RNA)
where:
Base-Base interactions energy: -808.541
where: short stacking energy: -344.566
Base-Backbone interact. energy: 0.134
local terms energy: -338.272973
where:
bonds (distance) C4'-P energy: -52.370
bonds (distance) P-C4' energy: -72.829
flat angles C4'-P-C4' energy: -77.571
flat angles P-C4'-P energy: -51.246
tors. eta vs tors. theta energy: -84.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 327
Temperature: 1.150000
Total energy: -1069.700143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1069.700143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1069.700143 (E_RNA)
where:
Base-Base interactions energy: -705.796
where: short stacking energy: -318.169
Base-Backbone interact. energy: -0.717
local terms energy: -363.186533
where:
bonds (distance) C4'-P energy: -71.547
bonds (distance) P-C4' energy: -63.618
flat angles C4'-P-C4' energy: -85.832
flat angles P-C4'-P energy: -45.068
tors. eta vs tors. theta energy: -97.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 327
Temperature: 1.200000
Total energy: -1011.689415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1011.689415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1011.689415 (E_RNA)
where:
Base-Base interactions energy: -688.759
where: short stacking energy: -304.146
Base-Backbone interact. energy: -1.594
local terms energy: -321.336733
where:
bonds (distance) C4'-P energy: -63.199
bonds (distance) P-C4' energy: -65.536
flat angles C4'-P-C4' energy: -75.365
flat angles P-C4'-P energy: -50.344
tors. eta vs tors. theta energy: -66.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 327
Temperature: 1.250000
Total energy: -823.300296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -823.300296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -823.300296 (E_RNA)
where:
Base-Base interactions energy: -545.019
where: short stacking energy: -274.145
Base-Backbone interact. energy: 1.667
local terms energy: -281.639010
where:
bonds (distance) C4'-P energy: -59.830
bonds (distance) P-C4' energy: -71.839
flat angles C4'-P-C4' energy: -60.910
flat angles P-C4'-P energy: -23.559
tors. eta vs tors. theta energy: -65.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.690 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 327
Temperature: 1.300000
Total energy: -578.406629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -578.406629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -578.406629 (E_RNA)
where:
Base-Base interactions energy: -339.530
where: short stacking energy: -164.544
Base-Backbone interact. energy: -0.479
local terms energy: -238.397831
where:
bonds (distance) C4'-P energy: -59.928
bonds (distance) P-C4' energy: -70.856
flat angles C4'-P-C4' energy: -62.663
flat angles P-C4'-P energy: -34.665
tors. eta vs tors. theta energy: -10.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 327
Temperature: 1.350000
Total energy: -603.228936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -603.228936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -603.228936 (E_RNA)
where:
Base-Base interactions energy: -355.991
where: short stacking energy: -185.441
Base-Backbone interact. energy: -2.538
local terms energy: -244.699474
where:
bonds (distance) C4'-P energy: -53.496
bonds (distance) P-C4' energy: -59.494
flat angles C4'-P-C4' energy: -69.851
flat angles P-C4'-P energy: -42.489
tors. eta vs tors. theta energy: -19.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 328
Temperature: 0.900000
Total energy: -1343.226707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1343.226707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1343.226707 (E_RNA)
where:
Base-Base interactions energy: -933.376
where: short stacking energy: -381.583
Base-Backbone interact. energy: -1.588
local terms energy: -408.262715
where:
bonds (distance) C4'-P energy: -70.000
bonds (distance) P-C4' energy: -78.844
flat angles C4'-P-C4' energy: -81.021
flat angles P-C4'-P energy: -69.363
tors. eta vs tors. theta energy: -109.035
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: 2, replica: 5
=====================================
Write number: 328
Temperature: 0.950000
Total energy: -1320.370087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1320.370087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1320.370087 (E_RNA)
where:
Base-Base interactions energy: -932.851
where: short stacking energy: -385.661
Base-Backbone interact. energy: -1.883
local terms energy: -385.636372
where:
bonds (distance) C4'-P energy: -66.591
bonds (distance) P-C4' energy: -75.832
flat angles C4'-P-C4' energy: -81.627
flat angles P-C4'-P energy: -63.075
tors. eta vs tors. theta energy: -98.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 328
Temperature: 1.000000
Total energy: -1288.119134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1288.119134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1288.119134 (E_RNA)
where:
Base-Base interactions energy: -886.269
where: short stacking energy: -390.601
Base-Backbone interact. energy: -1.079
local terms energy: -400.771238
where:
bonds (distance) C4'-P energy: -68.255
bonds (distance) P-C4' energy: -75.313
flat angles C4'-P-C4' energy: -74.682
flat angles P-C4'-P energy: -63.177
tors. eta vs tors. theta energy: -119.344
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: 4, replica: 9
=====================================
Write number: 328
Temperature: 1.050000
Total energy: -1216.025871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1216.025871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1216.025871 (E_RNA)
where:
Base-Base interactions energy: -825.066
where: short stacking energy: -359.384
Base-Backbone interact. energy: -0.180
local terms energy: -390.779730
where:
bonds (distance) C4'-P energy: -73.608
bonds (distance) P-C4' energy: -81.654
flat angles C4'-P-C4' energy: -71.488
flat angles P-C4'-P energy: -53.395
tors. eta vs tors. theta energy: -110.635
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: 4
=====================================
Write number: 328
Temperature: 1.100000
Total energy: -1148.699334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1148.699334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1148.699334 (E_RNA)
where:
Base-Base interactions energy: -781.019
where: short stacking energy: -335.870
Base-Backbone interact. energy: -1.205
local terms energy: -366.475078
where:
bonds (distance) C4'-P energy: -74.791
bonds (distance) P-C4' energy: -81.587
flat angles C4'-P-C4' energy: -79.571
flat angles P-C4'-P energy: -52.495
tors. eta vs tors. theta energy: -78.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 328
Temperature: 1.150000
Total energy: -1063.424180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1063.424180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1063.424180 (E_RNA)
where:
Base-Base interactions energy: -705.013
where: short stacking energy: -324.471
Base-Backbone interact. energy: -0.131
local terms energy: -358.280239
where:
bonds (distance) C4'-P energy: -59.564
bonds (distance) P-C4' energy: -72.547
flat angles C4'-P-C4' energy: -77.548
flat angles P-C4'-P energy: -52.602
tors. eta vs tors. theta energy: -96.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 328
Temperature: 1.200000
Total energy: -977.086143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -977.086143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -977.086143 (E_RNA)
where:
Base-Base interactions energy: -679.693
where: short stacking energy: -284.430
Base-Backbone interact. energy: 0.058
local terms energy: -297.451690
where:
bonds (distance) C4'-P energy: -60.360
bonds (distance) P-C4' energy: -56.522
flat angles C4'-P-C4' energy: -73.429
flat angles P-C4'-P energy: -35.338
tors. eta vs tors. theta energy: -71.802
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: 8, replica: 8
=====================================
Write number: 328
Temperature: 1.250000
Total energy: -771.043874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -771.043874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -771.043874 (E_RNA)
where:
Base-Base interactions energy: -482.845
where: short stacking energy: -225.436
Base-Backbone interact. energy: -0.896
local terms energy: -287.302345
where:
bonds (distance) C4'-P energy: -66.653
bonds (distance) P-C4' energy: -71.872
flat angles C4'-P-C4' energy: -62.383
flat angles P-C4'-P energy: -41.512
tors. eta vs tors. theta energy: -44.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 328
Temperature: 1.300000
Total energy: -601.054977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -601.054977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -601.054977 (E_RNA)
where:
Base-Base interactions energy: -363.292
where: short stacking energy: -200.286
Base-Backbone interact. energy: 5.279
local terms energy: -243.042205
where:
bonds (distance) C4'-P energy: -54.431
bonds (distance) P-C4' energy: -76.844
flat angles C4'-P-C4' energy: -53.921
flat angles P-C4'-P energy: -31.566
tors. eta vs tors. theta energy: -26.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 328
Temperature: 1.350000
Total energy: -474.868172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.868172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.868172 (E_RNA)
where:
Base-Base interactions energy: -244.333
where: short stacking energy: -119.803
Base-Backbone interact. energy: 0.690
local terms energy: -231.225418
where:
bonds (distance) C4'-P energy: -70.792
bonds (distance) P-C4' energy: -69.416
flat angles C4'-P-C4' energy: -65.757
flat angles P-C4'-P energy: -26.863
tors. eta vs tors. theta energy: 1.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 329
Temperature: 0.900000
Total energy: -1356.140529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1356.140529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1356.140529 (E_RNA)
where:
Base-Base interactions energy: -939.107
where: short stacking energy: -402.422
Base-Backbone interact. energy: -1.487
local terms energy: -416.377049
where:
bonds (distance) C4'-P energy: -76.534
bonds (distance) P-C4' energy: -78.803
flat angles C4'-P-C4' energy: -84.506
flat angles P-C4'-P energy: -57.104
tors. eta vs tors. theta energy: -119.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.830 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 329
Temperature: 0.950000
Total energy: -1311.404202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1311.404202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1311.404202 (E_RNA)
where:
Base-Base interactions energy: -930.189
where: short stacking energy: -408.045
Base-Backbone interact. energy: -2.896
local terms energy: -378.318449
where:
bonds (distance) C4'-P energy: -61.791
bonds (distance) P-C4' energy: -72.100
flat angles C4'-P-C4' energy: -83.126
flat angles P-C4'-P energy: -49.215
tors. eta vs tors. theta energy: -112.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 329
Temperature: 1.000000
Total energy: -1287.136615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1287.136615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1287.136615 (E_RNA)
where:
Base-Base interactions energy: -879.685
where: short stacking energy: -372.524
Base-Backbone interact. energy: -0.422
local terms energy: -407.030002
where:
bonds (distance) C4'-P energy: -69.774
bonds (distance) P-C4' energy: -77.441
flat angles C4'-P-C4' energy: -90.412
flat angles P-C4'-P energy: -57.108
tors. eta vs tors. theta energy: -112.295
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: 9
=====================================
Write number: 329
Temperature: 1.050000
Total energy: -1228.703601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1228.703601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1228.703601 (E_RNA)
where:
Base-Base interactions energy: -826.928
where: short stacking energy: -359.198
Base-Backbone interact. energy: -0.986
local terms energy: -400.789604
where:
bonds (distance) C4'-P energy: -71.207
bonds (distance) P-C4' energy: -74.298
flat angles C4'-P-C4' energy: -81.392
flat angles P-C4'-P energy: -66.527
tors. eta vs tors. theta energy: -107.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 329
Temperature: 1.100000
Total energy: -1139.142305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1139.142305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1139.142305 (E_RNA)
where:
Base-Base interactions energy: -785.469
where: short stacking energy: -322.625
Base-Backbone interact. energy: 1.285
local terms energy: -354.957848
where:
bonds (distance) C4'-P energy: -67.097
bonds (distance) P-C4' energy: -70.741
flat angles C4'-P-C4' energy: -76.993
flat angles P-C4'-P energy: -59.211
tors. eta vs tors. theta energy: -80.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 329
Temperature: 1.150000
Total energy: -1043.024859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1043.024859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1043.024859 (E_RNA)
where:
Base-Base interactions energy: -693.308
where: short stacking energy: -313.800
Base-Backbone interact. energy: -0.338
local terms energy: -349.379055
where:
bonds (distance) C4'-P energy: -66.466
bonds (distance) P-C4' energy: -70.369
flat angles C4'-P-C4' energy: -77.749
flat angles P-C4'-P energy: -49.666
tors. eta vs tors. theta energy: -85.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 329
Temperature: 1.200000
Total energy: -936.997423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -936.997423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -936.997423 (E_RNA)
where:
Base-Base interactions energy: -632.067
where: short stacking energy: -284.112
Base-Backbone interact. energy: -0.789
local terms energy: -304.141078
where:
bonds (distance) C4'-P energy: -69.229
bonds (distance) P-C4' energy: -69.335
flat angles C4'-P-C4' energy: -63.898
flat angles P-C4'-P energy: -42.916
tors. eta vs tors. theta energy: -58.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 329
Temperature: 1.250000
Total energy: -763.966392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -763.966392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -763.966392 (E_RNA)
where:
Base-Base interactions energy: -486.522
where: short stacking energy: -216.032
Base-Backbone interact. energy: -0.995
local terms energy: -276.449124
where:
bonds (distance) C4'-P energy: -61.343
bonds (distance) P-C4' energy: -58.347
flat angles C4'-P-C4' energy: -73.379
flat angles P-C4'-P energy: -40.296
tors. eta vs tors. theta energy: -43.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 329
Temperature: 1.300000
Total energy: -577.942981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -577.942981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -577.942981 (E_RNA)
where:
Base-Base interactions energy: -321.174
where: short stacking energy: -156.110
Base-Backbone interact. energy: -2.629
local terms energy: -254.140262
where:
bonds (distance) C4'-P energy: -73.375
bonds (distance) P-C4' energy: -67.319
flat angles C4'-P-C4' energy: -67.142
flat angles P-C4'-P energy: -28.966
tors. eta vs tors. theta energy: -17.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 329
Temperature: 1.350000
Total energy: -492.027888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.027888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.027888 (E_RNA)
where:
Base-Base interactions energy: -261.661
where: short stacking energy: -149.100
Base-Backbone interact. energy: 0.702
local terms energy: -231.067984
where:
bonds (distance) C4'-P energy: -68.365
bonds (distance) P-C4' energy: -65.759
flat angles C4'-P-C4' energy: -57.600
flat angles P-C4'-P energy: -30.999
tors. eta vs tors. theta energy: -8.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 330
Temperature: 0.900000
Total energy: -1366.414768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1366.414768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1366.414768 (E_RNA)
where:
Base-Base interactions energy: -952.609
where: short stacking energy: -400.590
Base-Backbone interact. energy: -1.316
local terms energy: -412.489567
where:
bonds (distance) C4'-P energy: -75.546
bonds (distance) P-C4' energy: -80.544
flat angles C4'-P-C4' energy: -84.625
flat angles P-C4'-P energy: -60.708
tors. eta vs tors. theta energy: -111.065
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: 5
=====================================
Write number: 330
Temperature: 0.950000
Total energy: -1296.148159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1296.148159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1296.148159 (E_RNA)
where:
Base-Base interactions energy: -908.992
where: short stacking energy: -396.701
Base-Backbone interact. energy: -1.125
local terms energy: -386.031587
where:
bonds (distance) C4'-P energy: -69.662
bonds (distance) P-C4' energy: -67.202
flat angles C4'-P-C4' energy: -88.276
flat angles P-C4'-P energy: -55.770
tors. eta vs tors. theta energy: -105.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 330
Temperature: 1.000000
Total energy: -1298.467087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1298.467087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1298.467087 (E_RNA)
where:
Base-Base interactions energy: -891.751
where: short stacking energy: -389.990
Base-Backbone interact. energy: -1.160
local terms energy: -405.556415
where:
bonds (distance) C4'-P energy: -73.967
bonds (distance) P-C4' energy: -78.282
flat angles C4'-P-C4' energy: -83.959
flat angles P-C4'-P energy: -55.043
tors. eta vs tors. theta energy: -114.307
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: 9
=====================================
Write number: 330
Temperature: 1.050000
Total energy: -1222.987769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1222.987769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1222.987769 (E_RNA)
where:
Base-Base interactions energy: -857.331
where: short stacking energy: -374.517
Base-Backbone interact. energy: -0.687
local terms energy: -364.969580
where:
bonds (distance) C4'-P energy: -63.688
bonds (distance) P-C4' energy: -72.374
flat angles C4'-P-C4' energy: -75.736
flat angles P-C4'-P energy: -49.997
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: 5, replica: 4
=====================================
Write number: 330
Temperature: 1.100000
Total energy: -1130.209927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1130.209927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1130.209927 (E_RNA)
where:
Base-Base interactions energy: -776.596
where: short stacking energy: -326.511
Base-Backbone interact. energy: 0.249
local terms energy: -353.863050
where:
bonds (distance) C4'-P energy: -64.169
bonds (distance) P-C4' energy: -71.965
flat angles C4'-P-C4' energy: -79.844
flat angles P-C4'-P energy: -56.093
tors. eta vs tors. theta energy: -81.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 330
Temperature: 1.150000
Total energy: -1042.506407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1042.506407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1042.506407 (E_RNA)
where:
Base-Base interactions energy: -702.442
where: short stacking energy: -315.100
Base-Backbone interact. energy: -0.737
local terms energy: -339.327339
where:
bonds (distance) C4'-P energy: -59.388
bonds (distance) P-C4' energy: -67.942
flat angles C4'-P-C4' energy: -76.971
flat angles P-C4'-P energy: -41.643
tors. eta vs tors. theta energy: -93.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 330
Temperature: 1.200000
Total energy: -931.954292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -931.954292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -931.954292 (E_RNA)
where:
Base-Base interactions energy: -608.262
where: short stacking energy: -263.204
Base-Backbone interact. energy: 0.675
local terms energy: -324.366562
where:
bonds (distance) C4'-P energy: -64.830
bonds (distance) P-C4' energy: -78.671
flat angles C4'-P-C4' energy: -75.313
flat angles P-C4'-P energy: -53.337
tors. eta vs tors. theta energy: -52.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 330
Temperature: 1.250000
Total energy: -777.902779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -777.902779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -777.902779 (E_RNA)
where:
Base-Base interactions energy: -484.577
where: short stacking energy: -236.330
Base-Backbone interact. energy: -0.792
local terms energy: -292.533923
where:
bonds (distance) C4'-P energy: -61.879
bonds (distance) P-C4' energy: -60.349
flat angles C4'-P-C4' energy: -73.515
flat angles P-C4'-P energy: -43.923
tors. eta vs tors. theta energy: -52.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 330
Temperature: 1.300000
Total energy: -558.895650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.895650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.895650 (E_RNA)
where:
Base-Base interactions energy: -313.350
where: short stacking energy: -146.570
Base-Backbone interact. energy: -1.678
local terms energy: -243.867455
where:
bonds (distance) C4'-P energy: -72.055
bonds (distance) P-C4' energy: -60.137
flat angles C4'-P-C4' energy: -52.747
flat angles P-C4'-P energy: -38.529
tors. eta vs tors. theta energy: -20.399
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: 10, replica: 2
=====================================
Write number: 330
Temperature: 1.350000
Total energy: -473.131150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.131150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.131150 (E_RNA)
where:
Base-Base interactions energy: -255.152
where: short stacking energy: -132.023
Base-Backbone interact. energy: -1.118
local terms energy: -216.861946
where:
bonds (distance) C4'-P energy: -42.556
bonds (distance) P-C4' energy: -65.977
flat angles C4'-P-C4' energy: -56.946
flat angles P-C4'-P energy: -36.685
tors. eta vs tors. theta energy: -14.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 331
Temperature: 0.900000
Total energy: -1377.301049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1377.301049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1377.301049 (E_RNA)
where:
Base-Base interactions energy: -961.071
where: short stacking energy: -402.879
Base-Backbone interact. energy: -1.987
local terms energy: -414.242499
where:
bonds (distance) C4'-P energy: -78.535
bonds (distance) P-C4' energy: -84.821
flat angles C4'-P-C4' energy: -76.595
flat angles P-C4'-P energy: -57.348
tors. eta vs tors. theta energy: -116.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 331
Temperature: 0.950000
Total energy: -1326.552495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1326.552495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1326.552495 (E_RNA)
where:
Base-Base interactions energy: -898.070
where: short stacking energy: -407.600
Base-Backbone interact. energy: -2.867
local terms energy: -425.615436
where:
bonds (distance) C4'-P energy: -74.639
bonds (distance) P-C4' energy: -75.320
flat angles C4'-P-C4' energy: -90.718
flat angles P-C4'-P energy: -59.702
tors. eta vs tors. theta energy: -125.236
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: 3, replica: 5
=====================================
Write number: 331
Temperature: 1.000000
Total energy: -1277.264357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1277.264357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1277.264357 (E_RNA)
where:
Base-Base interactions energy: -881.724
where: short stacking energy: -365.012
Base-Backbone interact. energy: 2.006
local terms energy: -397.545614
where:
bonds (distance) C4'-P energy: -65.188
bonds (distance) P-C4' energy: -75.745
flat angles C4'-P-C4' energy: -90.492
flat angles P-C4'-P energy: -59.785
tors. eta vs tors. theta energy: -106.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 331
Temperature: 1.050000
Total energy: -1176.622738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1176.622738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1176.622738 (E_RNA)
where:
Base-Base interactions energy: -813.155
where: short stacking energy: -347.126
Base-Backbone interact. energy: -0.906
local terms energy: -362.562248
where:
bonds (distance) C4'-P energy: -70.528
bonds (distance) P-C4' energy: -73.842
flat angles C4'-P-C4' energy: -73.969
flat angles P-C4'-P energy: -54.833
tors. eta vs tors. theta energy: -89.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 331
Temperature: 1.100000
Total energy: -1103.408594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1103.408594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1103.408594 (E_RNA)
where:
Base-Base interactions energy: -767.640
where: short stacking energy: -324.616
Base-Backbone interact. energy: -4.147
local terms energy: -331.622443
where:
bonds (distance) C4'-P energy: -63.658
bonds (distance) P-C4' energy: -65.904
flat angles C4'-P-C4' energy: -75.099
flat angles P-C4'-P energy: -46.999
tors. eta vs tors. theta energy: -79.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 331
Temperature: 1.150000
Total energy: -1040.881668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1040.881668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1040.881668 (E_RNA)
where:
Base-Base interactions energy: -696.622
where: short stacking energy: -317.614
Base-Backbone interact. energy: 0.026
local terms energy: -344.284981
where:
bonds (distance) C4'-P energy: -73.125
bonds (distance) P-C4' energy: -67.289
flat angles C4'-P-C4' energy: -73.147
flat angles P-C4'-P energy: -46.472
tors. eta vs tors. theta energy: -84.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 331
Temperature: 1.200000
Total energy: -940.815412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -940.815412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -940.815412 (E_RNA)
where:
Base-Base interactions energy: -630.471
where: short stacking energy: -258.232
Base-Backbone interact. energy: 1.587
local terms energy: -311.932193
where:
bonds (distance) C4'-P energy: -78.720
bonds (distance) P-C4' energy: -62.471
flat angles C4'-P-C4' energy: -73.363
flat angles P-C4'-P energy: -43.203
tors. eta vs tors. theta energy: -54.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 331
Temperature: 1.250000
Total energy: -804.484901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -804.484901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -804.484901 (E_RNA)
where:
Base-Base interactions energy: -506.024
where: short stacking energy: -241.570
Base-Backbone interact. energy: -0.379
local terms energy: -298.081581
where:
bonds (distance) C4'-P energy: -53.343
bonds (distance) P-C4' energy: -70.087
flat angles C4'-P-C4' energy: -72.121
flat angles P-C4'-P energy: -50.691
tors. eta vs tors. theta energy: -51.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 331
Temperature: 1.300000
Total energy: -575.183265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -575.183265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -575.183265 (E_RNA)
where:
Base-Base interactions energy: -343.021
where: short stacking energy: -178.256
Base-Backbone interact. energy: -1.179
local terms energy: -230.983723
where:
bonds (distance) C4'-P energy: -50.492
bonds (distance) P-C4' energy: -61.366
flat angles C4'-P-C4' energy: -67.869
flat angles P-C4'-P energy: -32.599
tors. eta vs tors. theta energy: -18.658
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: 10, replica: 2
=====================================
Write number: 331
Temperature: 1.350000
Total energy: -477.902586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.902586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.902586 (E_RNA)
where:
Base-Base interactions energy: -281.892
where: short stacking energy: -131.785
Base-Backbone interact. energy: -1.567
local terms energy: -194.443866
where:
bonds (distance) C4'-P energy: -52.462
bonds (distance) P-C4' energy: -77.835
flat angles C4'-P-C4' energy: -47.217
flat angles P-C4'-P energy: -25.136
tors. eta vs tors. theta energy: 8.206
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: 1, replica: 7
=====================================
Write number: 332
Temperature: 0.900000
Total energy: -1368.923162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1368.923162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1368.923162 (E_RNA)
where:
Base-Base interactions energy: -958.008
where: short stacking energy: -408.860
Base-Backbone interact. energy: -2.744
local terms energy: -408.170976
where:
bonds (distance) C4'-P energy: -66.796
bonds (distance) P-C4' energy: -79.298
flat angles C4'-P-C4' energy: -88.826
flat angles P-C4'-P energy: -57.239
tors. eta vs tors. theta energy: -116.012
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: 332
Temperature: 0.950000
Total energy: -1327.120354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1327.120354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1327.120354 (E_RNA)
where:
Base-Base interactions energy: -926.944
where: short stacking energy: -397.639
Base-Backbone interact. energy: -0.537
local terms energy: -399.639922
where:
bonds (distance) C4'-P energy: -65.151
bonds (distance) P-C4' energy: -80.073
flat angles C4'-P-C4' energy: -84.057
flat angles P-C4'-P energy: -49.662
tors. eta vs tors. theta energy: -120.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 332
Temperature: 1.000000
Total energy: -1285.635195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1285.635195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1285.635195 (E_RNA)
where:
Base-Base interactions energy: -901.158
where: short stacking energy: -382.105
Base-Backbone interact. energy: -2.985
local terms energy: -381.492133
where:
bonds (distance) C4'-P energy: -68.363
bonds (distance) P-C4' energy: -63.780
flat angles C4'-P-C4' energy: -77.289
flat angles P-C4'-P energy: -63.639
tors. eta vs tors. theta energy: -108.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 332
Temperature: 1.050000
Total energy: -1197.533757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1197.533757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1197.533757 (E_RNA)
where:
Base-Base interactions energy: -827.951
where: short stacking energy: -351.804
Base-Backbone interact. energy: -2.127
local terms energy: -367.455784
where:
bonds (distance) C4'-P energy: -67.214
bonds (distance) P-C4' energy: -78.809
flat angles C4'-P-C4' energy: -65.714
flat angles P-C4'-P energy: -53.282
tors. eta vs tors. theta energy: -102.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 332
Temperature: 1.100000
Total energy: -1149.475504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1149.475504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1149.475504 (E_RNA)
where:
Base-Base interactions energy: -802.861
where: short stacking energy: -336.873
Base-Backbone interact. energy: -3.990
local terms energy: -342.623888
where:
bonds (distance) C4'-P energy: -63.055
bonds (distance) P-C4' energy: -71.545
flat angles C4'-P-C4' energy: -69.096
flat angles P-C4'-P energy: -51.071
tors. eta vs tors. theta energy: -87.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 332
Temperature: 1.150000
Total energy: -1064.314382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1064.314382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1064.314382 (E_RNA)
where:
Base-Base interactions energy: -708.613
where: short stacking energy: -323.458
Base-Backbone interact. energy: -2.193
local terms energy: -353.508520
where:
bonds (distance) C4'-P energy: -71.180
bonds (distance) P-C4' energy: -64.819
flat angles C4'-P-C4' energy: -76.703
flat angles P-C4'-P energy: -46.146
tors. eta vs tors. theta energy: -94.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 332
Temperature: 1.200000
Total energy: -938.545879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -938.545879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -938.545879 (E_RNA)
where:
Base-Base interactions energy: -623.817
where: short stacking energy: -273.031
Base-Backbone interact. energy: -1.454
local terms energy: -313.274899
where:
bonds (distance) C4'-P energy: -66.385
bonds (distance) P-C4' energy: -83.920
flat angles C4'-P-C4' energy: -68.073
flat angles P-C4'-P energy: -33.844
tors. eta vs tors. theta energy: -61.053
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: 8, replica: 8
=====================================
Write number: 332
Temperature: 1.250000
Total energy: -789.654173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -789.654173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -789.654173 (E_RNA)
where:
Base-Base interactions energy: -493.826
where: short stacking energy: -216.941
Base-Backbone interact. energy: 0.507
local terms energy: -296.334948
where:
bonds (distance) C4'-P energy: -68.515
bonds (distance) P-C4' energy: -63.351
flat angles C4'-P-C4' energy: -66.418
flat angles P-C4'-P energy: -50.632
tors. eta vs tors. theta energy: -47.419
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: 6
=====================================
Write number: 332
Temperature: 1.300000
Total energy: -702.604945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -702.604945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -702.604945 (E_RNA)
where:
Base-Base interactions energy: -420.662
where: short stacking energy: -182.395
Base-Backbone interact. energy: 4.648
local terms energy: -286.591552
where:
bonds (distance) C4'-P energy: -60.042
bonds (distance) P-C4' energy: -68.100
flat angles C4'-P-C4' energy: -80.806
flat angles P-C4'-P energy: -50.025
tors. eta vs tors. theta energy: -27.619
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: 332
Temperature: 1.350000
Total energy: -494.213078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.213078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.213078 (E_RNA)
where:
Base-Base interactions energy: -273.417
where: short stacking energy: -135.263
Base-Backbone interact. energy: 1.144
local terms energy: -221.940272
where:
bonds (distance) C4'-P energy: -59.494
bonds (distance) P-C4' energy: -67.294
flat angles C4'-P-C4' energy: -55.664
flat angles P-C4'-P energy: -29.079
tors. eta vs tors. theta energy: -10.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 333
Temperature: 0.900000
Total energy: -1412.904545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1412.904545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1412.904545 (E_RNA)
where:
Base-Base interactions energy: -988.518
where: short stacking energy: -408.072
Base-Backbone interact. energy: -2.422
local terms energy: -423.276279
where:
bonds (distance) C4'-P energy: -75.220
bonds (distance) P-C4' energy: -86.443
flat angles C4'-P-C4' energy: -87.041
flat angles P-C4'-P energy: -55.747
tors. eta vs tors. theta energy: -118.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.311 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 333
Temperature: 0.950000
Total energy: -1337.539734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1337.539734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1337.539734 (E_RNA)
where:
Base-Base interactions energy: -923.477
where: short stacking energy: -394.277
Base-Backbone interact. energy: -0.991
local terms energy: -413.071713
where:
bonds (distance) C4'-P energy: -78.769
bonds (distance) P-C4' energy: -70.942
flat angles C4'-P-C4' energy: -87.350
flat angles P-C4'-P energy: -56.142
tors. eta vs tors. theta energy: -119.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 333
Temperature: 1.000000
Total energy: -1300.299836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1300.299836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1300.299836 (E_RNA)
where:
Base-Base interactions energy: -893.646
where: short stacking energy: -388.816
Base-Backbone interact. energy: -2.209
local terms energy: -404.445456
where:
bonds (distance) C4'-P energy: -70.068
bonds (distance) P-C4' energy: -75.031
flat angles C4'-P-C4' energy: -85.740
flat angles P-C4'-P energy: -62.710
tors. eta vs tors. theta energy: -110.896
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: 4
=====================================
Write number: 333
Temperature: 1.050000
Total energy: -1164.306944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1164.306944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1164.306944 (E_RNA)
where:
Base-Base interactions energy: -807.464
where: short stacking energy: -331.777
Base-Backbone interact. energy: -1.066
local terms energy: -355.776839
where:
bonds (distance) C4'-P energy: -61.459
bonds (distance) P-C4' energy: -78.403
flat angles C4'-P-C4' energy: -77.819
flat angles P-C4'-P energy: -55.815
tors. eta vs tors. theta energy: -82.280
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: 9
=====================================
Write number: 333
Temperature: 1.100000
Total energy: -1147.163251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1147.163251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1147.163251 (E_RNA)
where:
Base-Base interactions energy: -792.283
where: short stacking energy: -344.576
Base-Backbone interact. energy: -1.016
local terms energy: -353.864567
where:
bonds (distance) C4'-P energy: -67.009
bonds (distance) P-C4' energy: -66.167
flat angles C4'-P-C4' energy: -73.244
flat angles P-C4'-P energy: -58.490
tors. eta vs tors. theta energy: -88.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 333
Temperature: 1.150000
Total energy: -1069.972883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1069.972883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1069.972883 (E_RNA)
where:
Base-Base interactions energy: -702.848
where: short stacking energy: -317.402
Base-Backbone interact. energy: -2.273
local terms energy: -364.851887
where:
bonds (distance) C4'-P energy: -75.051
bonds (distance) P-C4' energy: -70.002
flat angles C4'-P-C4' energy: -76.460
flat angles P-C4'-P energy: -48.436
tors. eta vs tors. theta energy: -94.903
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: 10
=====================================
Write number: 333
Temperature: 1.200000
Total energy: -968.602918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -968.602918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -968.602918 (E_RNA)
where:
Base-Base interactions energy: -647.877
where: short stacking energy: -272.384
Base-Backbone interact. energy: -1.453
local terms energy: -319.273015
where:
bonds (distance) C4'-P energy: -74.506
bonds (distance) P-C4' energy: -55.268
flat angles C4'-P-C4' energy: -72.646
flat angles P-C4'-P energy: -48.068
tors. eta vs tors. theta energy: -68.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 333
Temperature: 1.250000
Total energy: -776.826762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -776.826762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -776.826762 (E_RNA)
where:
Base-Base interactions energy: -504.809
where: short stacking energy: -234.376
Base-Backbone interact. energy: -1.085
local terms energy: -270.932538
where:
bonds (distance) C4'-P energy: -55.838
bonds (distance) P-C4' energy: -72.427
flat angles C4'-P-C4' energy: -65.618
flat angles P-C4'-P energy: -35.664
tors. eta vs tors. theta energy: -41.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 333
Temperature: 1.300000
Total energy: -631.225910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -631.225910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -631.225910 (E_RNA)
where:
Base-Base interactions energy: -377.024
where: short stacking energy: -173.300
Base-Backbone interact. energy: 3.559
local terms energy: -257.761041
where:
bonds (distance) C4'-P energy: -57.416
bonds (distance) P-C4' energy: -68.023
flat angles C4'-P-C4' energy: -68.072
flat angles P-C4'-P energy: -38.667
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: 2
=====================================
Write number: 333
Temperature: 1.350000
Total energy: -452.075518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.075518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.075518 (E_RNA)
where:
Base-Base interactions energy: -252.367
where: short stacking energy: -137.284
Base-Backbone interact. energy: 3.428
local terms energy: -203.136577
where:
bonds (distance) C4'-P energy: -63.979
bonds (distance) P-C4' energy: -67.073
flat angles C4'-P-C4' energy: -47.827
flat angles P-C4'-P energy: -18.634
tors. eta vs tors. theta energy: -5.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 334
Temperature: 0.900000
Total energy: -1365.574780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1365.574780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1365.574780 (E_RNA)
where:
Base-Base interactions energy: -950.732
where: short stacking energy: -391.261
Base-Backbone interact. energy: -1.908
local terms energy: -412.935190
where:
bonds (distance) C4'-P energy: -71.437
bonds (distance) P-C4' energy: -71.051
flat angles C4'-P-C4' energy: -93.006
flat angles P-C4'-P energy: -55.788
tors. eta vs tors. theta energy: -121.654
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: 7
=====================================
Write number: 334
Temperature: 0.950000
Total energy: -1358.504532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1358.504532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1358.504532 (E_RNA)
where:
Base-Base interactions energy: -932.295
where: short stacking energy: -390.188
Base-Backbone interact. energy: -2.242
local terms energy: -423.968272
where:
bonds (distance) C4'-P energy: -79.392
bonds (distance) P-C4' energy: -78.016
flat angles C4'-P-C4' energy: -90.695
flat angles P-C4'-P energy: -58.550
tors. eta vs tors. theta energy: -117.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 334
Temperature: 1.000000
Total energy: -1300.633144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1300.633144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1300.633144 (E_RNA)
where:
Base-Base interactions energy: -870.689
where: short stacking energy: -395.246
Base-Backbone interact. energy: -0.342
local terms energy: -429.602102
where:
bonds (distance) C4'-P energy: -76.494
bonds (distance) P-C4' energy: -82.287
flat angles C4'-P-C4' energy: -87.299
flat angles P-C4'-P energy: -66.158
tors. eta vs tors. theta energy: -117.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 334
Temperature: 1.050000
Total energy: -1197.979415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1197.979415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1197.979415 (E_RNA)
where:
Base-Base interactions energy: -815.969
where: short stacking energy: -335.161
Base-Backbone interact. energy: -4.359
local terms energy: -377.651972
where:
bonds (distance) C4'-P energy: -72.168
bonds (distance) P-C4' energy: -71.945
flat angles C4'-P-C4' energy: -84.328
flat angles P-C4'-P energy: -55.584
tors. eta vs tors. theta energy: -93.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 334
Temperature: 1.100000
Total energy: -1142.340995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1142.340995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1142.340995 (E_RNA)
where:
Base-Base interactions energy: -795.759
where: short stacking energy: -325.469
Base-Backbone interact. energy: 1.922
local terms energy: -348.504013
where:
bonds (distance) C4'-P energy: -63.815
bonds (distance) P-C4' energy: -74.954
flat angles C4'-P-C4' energy: -71.462
flat angles P-C4'-P energy: -50.380
tors. eta vs tors. theta energy: -87.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 334
Temperature: 1.150000
Total energy: -1072.545772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1072.545772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1072.545772 (E_RNA)
where:
Base-Base interactions energy: -705.031
where: short stacking energy: -311.945
Base-Backbone interact. energy: -2.917
local terms energy: -364.597094
where:
bonds (distance) C4'-P energy: -63.857
bonds (distance) P-C4' energy: -83.317
flat angles C4'-P-C4' energy: -83.696
flat angles P-C4'-P energy: -47.682
tors. eta vs tors. theta energy: -86.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 334
Temperature: 1.200000
Total energy: -973.011839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -973.011839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -973.011839 (E_RNA)
where:
Base-Base interactions energy: -682.492
where: short stacking energy: -272.583
Base-Backbone interact. energy: 0.264
local terms energy: -290.783656
where:
bonds (distance) C4'-P energy: -55.436
bonds (distance) P-C4' energy: -68.907
flat angles C4'-P-C4' energy: -69.349
flat angles P-C4'-P energy: -42.328
tors. eta vs tors. theta energy: -54.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 334
Temperature: 1.250000
Total energy: -813.154164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -813.154164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -813.154164 (E_RNA)
where:
Base-Base interactions energy: -516.040
where: short stacking energy: -243.285
Base-Backbone interact. energy: -0.057
local terms energy: -297.056568
where:
bonds (distance) C4'-P energy: -64.196
bonds (distance) P-C4' energy: -68.108
flat angles C4'-P-C4' energy: -67.059
flat angles P-C4'-P energy: -39.797
tors. eta vs tors. theta energy: -57.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 334
Temperature: 1.300000
Total energy: -564.349213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -564.349213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -564.349213 (E_RNA)
where:
Base-Base interactions energy: -347.364
where: short stacking energy: -187.603
Base-Backbone interact. energy: -0.177
local terms energy: -216.807661
where:
bonds (distance) C4'-P energy: -47.234
bonds (distance) P-C4' energy: -58.574
flat angles C4'-P-C4' energy: -64.175
flat angles P-C4'-P energy: -29.558
tors. eta vs tors. theta energy: -17.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 334
Temperature: 1.350000
Total energy: -475.149076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.149076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.149076 (E_RNA)
where:
Base-Base interactions energy: -255.940
where: short stacking energy: -126.916
Base-Backbone interact. energy: 1.709
local terms energy: -220.917789
where:
bonds (distance) C4'-P energy: -60.531
bonds (distance) P-C4' energy: -63.189
flat angles C4'-P-C4' energy: -59.466
flat angles P-C4'-P energy: -34.589
tors. eta vs tors. theta energy: -3.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 335
Temperature: 0.900000
Total energy: -1346.723490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1346.723490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1346.723490 (E_RNA)
where:
Base-Base interactions energy: -924.051
where: short stacking energy: -401.442
Base-Backbone interact. energy: -0.936
local terms energy: -421.736400
where:
bonds (distance) C4'-P energy: -80.604
bonds (distance) P-C4' energy: -86.254
flat angles C4'-P-C4' energy: -87.671
flat angles P-C4'-P energy: -49.778
tors. eta vs tors. theta energy: -117.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 335
Temperature: 0.950000
Total energy: -1339.162487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1339.162487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1339.162487 (E_RNA)
where:
Base-Base interactions energy: -914.776
where: short stacking energy: -399.568
Base-Backbone interact. energy: -1.683
local terms energy: -423.694703
where:
bonds (distance) C4'-P energy: -78.790
bonds (distance) P-C4' energy: -75.202
flat angles C4'-P-C4' energy: -87.236
flat angles P-C4'-P energy: -64.867
tors. eta vs tors. theta energy: -117.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.992 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 335
Temperature: 1.000000
Total energy: -1309.449634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1309.449634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1309.449634 (E_RNA)
where:
Base-Base interactions energy: -901.856
where: short stacking energy: -374.878
Base-Backbone interact. energy: -2.678
local terms energy: -404.916524
where:
bonds (distance) C4'-P energy: -81.174
bonds (distance) P-C4' energy: -77.800
flat angles C4'-P-C4' energy: -84.866
flat angles P-C4'-P energy: -53.230
tors. eta vs tors. theta energy: -107.847
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: 4
=====================================
Write number: 335
Temperature: 1.050000
Total energy: -1200.385162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1200.385162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1200.385162 (E_RNA)
where:
Base-Base interactions energy: -846.217
where: short stacking energy: -321.045
Base-Backbone interact. energy: -1.144
local terms energy: -353.024545
where:
bonds (distance) C4'-P energy: -72.624
bonds (distance) P-C4' energy: -67.824
flat angles C4'-P-C4' energy: -79.301
flat angles P-C4'-P energy: -51.034
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: 5, replica: 9
=====================================
Write number: 335
Temperature: 1.100000
Total energy: -1125.286715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1125.286715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1125.286715 (E_RNA)
where:
Base-Base interactions energy: -768.977
where: short stacking energy: -331.749
Base-Backbone interact. energy: 2.422
local terms energy: -358.732174
where:
bonds (distance) C4'-P energy: -70.102
bonds (distance) P-C4' energy: -70.716
flat angles C4'-P-C4' energy: -83.373
flat angles P-C4'-P energy: -45.583
tors. eta vs tors. theta energy: -88.959
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: 6, replica: 1
=====================================
Write number: 335
Temperature: 1.150000
Total energy: -1084.171925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1084.171925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1084.171925 (E_RNA)
where:
Base-Base interactions energy: -726.884
where: short stacking energy: -322.398
Base-Backbone interact. energy: -2.255
local terms energy: -355.033696
where:
bonds (distance) C4'-P energy: -63.407
bonds (distance) P-C4' energy: -70.430
flat angles C4'-P-C4' energy: -80.281
flat angles P-C4'-P energy: -53.479
tors. eta vs tors. theta energy: -87.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 335
Temperature: 1.200000
Total energy: -975.634538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -975.634538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -975.634538 (E_RNA)
where:
Base-Base interactions energy: -642.328
where: short stacking energy: -284.622
Base-Backbone interact. energy: -1.321
local terms energy: -331.985654
where:
bonds (distance) C4'-P energy: -59.458
bonds (distance) P-C4' energy: -62.560
flat angles C4'-P-C4' energy: -83.147
flat angles P-C4'-P energy: -54.031
tors. eta vs tors. theta energy: -72.788
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: 8
=====================================
Write number: 335
Temperature: 1.250000
Total energy: -746.848648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -746.848648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -746.848648 (E_RNA)
where:
Base-Base interactions energy: -476.730
where: short stacking energy: -225.465
Base-Backbone interact. energy: -0.744
local terms energy: -269.374561
where:
bonds (distance) C4'-P energy: -65.969
bonds (distance) P-C4' energy: -68.272
flat angles C4'-P-C4' energy: -49.366
flat angles P-C4'-P energy: -39.642
tors. eta vs tors. theta energy: -46.126
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: 6
=====================================
Write number: 335
Temperature: 1.300000
Total energy: -597.702206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -597.702206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -597.702206 (E_RNA)
where:
Base-Base interactions energy: -327.397
where: short stacking energy: -161.115
Base-Backbone interact. energy: -1.194
local terms energy: -269.111176
where:
bonds (distance) C4'-P energy: -72.163
bonds (distance) P-C4' energy: -68.192
flat angles C4'-P-C4' energy: -75.169
flat angles P-C4'-P energy: -40.566
tors. eta vs tors. theta energy: -13.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 335
Temperature: 1.350000
Total energy: -442.755182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.755182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.755182 (E_RNA)
where:
Base-Base interactions energy: -234.926
where: short stacking energy: -125.170
Base-Backbone interact. energy: 8.046
local terms energy: -215.875040
where:
bonds (distance) C4'-P energy: -56.477
bonds (distance) P-C4' energy: -74.328
flat angles C4'-P-C4' energy: -63.515
flat angles P-C4'-P energy: -28.683
tors. eta vs tors. theta energy: 7.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 336
Temperature: 0.900000
Total energy: -1360.833730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1360.833730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1360.833730 (E_RNA)
where:
Base-Base interactions energy: -941.939
where: short stacking energy: -408.525
Base-Backbone interact. energy: 0.511
local terms energy: -419.405680
where:
bonds (distance) C4'-P energy: -72.248
bonds (distance) P-C4' energy: -81.285
flat angles C4'-P-C4' energy: -89.625
flat angles P-C4'-P energy: -58.231
tors. eta vs tors. theta energy: -118.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 336
Temperature: 0.950000
Total energy: -1324.379497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1324.379497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1324.379497 (E_RNA)
where:
Base-Base interactions energy: -906.109
where: short stacking energy: -380.338
Base-Backbone interact. energy: -3.260
local terms energy: -415.010427
where:
bonds (distance) C4'-P energy: -82.555
bonds (distance) P-C4' energy: -77.017
flat angles C4'-P-C4' energy: -90.714
flat angles P-C4'-P energy: -59.654
tors. eta vs tors. theta energy: -105.071
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: 5
=====================================
Write number: 336
Temperature: 1.000000
Total energy: -1261.592559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1261.592559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1261.592559 (E_RNA)
where:
Base-Base interactions energy: -871.776
where: short stacking energy: -376.442
Base-Backbone interact. energy: -0.276
local terms energy: -389.540738
where:
bonds (distance) C4'-P energy: -72.237
bonds (distance) P-C4' energy: -72.400
flat angles C4'-P-C4' energy: -82.679
flat angles P-C4'-P energy: -58.002
tors. eta vs tors. theta energy: -104.223
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: 4
=====================================
Write number: 336
Temperature: 1.050000
Total energy: -1179.408967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1179.408967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1179.408967 (E_RNA)
where:
Base-Base interactions energy: -818.654
where: short stacking energy: -354.886
Base-Backbone interact. energy: -2.630
local terms energy: -358.125317
where:
bonds (distance) C4'-P energy: -71.876
bonds (distance) P-C4' energy: -69.274
flat angles C4'-P-C4' energy: -76.917
flat angles P-C4'-P energy: -50.772
tors. eta vs tors. theta energy: -89.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 336
Temperature: 1.100000
Total energy: -1134.667657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1134.667657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1134.667657 (E_RNA)
where:
Base-Base interactions energy: -774.951
where: short stacking energy: -339.411
Base-Backbone interact. energy: -0.038
local terms energy: -359.678456
where:
bonds (distance) C4'-P energy: -71.634
bonds (distance) P-C4' energy: -62.324
flat angles C4'-P-C4' energy: -72.574
flat angles P-C4'-P energy: -57.017
tors. eta vs tors. theta energy: -96.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 336
Temperature: 1.150000
Total energy: -1038.633160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1038.633160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1038.633160 (E_RNA)
where:
Base-Base interactions energy: -680.603
where: short stacking energy: -302.428
Base-Backbone interact. energy: 3.061
local terms energy: -361.090332
where:
bonds (distance) C4'-P energy: -65.849
bonds (distance) P-C4' energy: -72.142
flat angles C4'-P-C4' energy: -77.870
flat angles P-C4'-P energy: -53.066
tors. eta vs tors. theta energy: -92.163
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: 10
=====================================
Write number: 336
Temperature: 1.200000
Total energy: -974.271332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -974.271332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -974.271332 (E_RNA)
where:
Base-Base interactions energy: -648.098
where: short stacking energy: -277.688
Base-Backbone interact. energy: 0.066
local terms energy: -326.239153
where:
bonds (distance) C4'-P energy: -75.902
bonds (distance) P-C4' energy: -66.931
flat angles C4'-P-C4' energy: -81.042
flat angles P-C4'-P energy: -40.080
tors. eta vs tors. theta energy: -62.283
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: 8, replica: 8
=====================================
Write number: 336
Temperature: 1.250000
Total energy: -809.558221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -809.558221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -809.558221 (E_RNA)
where:
Base-Base interactions energy: -513.828
where: short stacking energy: -247.838
Base-Backbone interact. energy: -0.131
local terms energy: -295.600075
where:
bonds (distance) C4'-P energy: -53.788
bonds (distance) P-C4' energy: -69.835
flat angles C4'-P-C4' energy: -73.726
flat angles P-C4'-P energy: -51.712
tors. eta vs tors. theta energy: -46.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 336
Temperature: 1.300000
Total energy: -600.768015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -600.768015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -600.768015 (E_RNA)
where:
Base-Base interactions energy: -346.965
where: short stacking energy: -172.042
Base-Backbone interact. energy: 1.152
local terms energy: -254.954879
where:
bonds (distance) C4'-P energy: -67.238
bonds (distance) P-C4' energy: -74.195
flat angles C4'-P-C4' energy: -61.823
flat angles P-C4'-P energy: -34.530
tors. eta vs tors. theta energy: -17.169
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: 336
Temperature: 1.350000
Total energy: -497.658575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.658575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.658575 (E_RNA)
where:
Base-Base interactions energy: -282.723
where: short stacking energy: -138.629
Base-Backbone interact. energy: 1.406
local terms energy: -216.341950
where:
bonds (distance) C4'-P energy: -68.718
bonds (distance) P-C4' energy: -61.663
flat angles C4'-P-C4' energy: -49.549
flat angles P-C4'-P energy: -32.548
tors. eta vs tors. theta energy: -3.864
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: 337
Temperature: 0.900000
Total energy: -1373.874539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1373.874539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1373.874539 (E_RNA)
where:
Base-Base interactions energy: -948.650
where: short stacking energy: -407.370
Base-Backbone interact. energy: -1.263
local terms energy: -423.961491
where:
bonds (distance) C4'-P energy: -76.841
bonds (distance) P-C4' energy: -81.301
flat angles C4'-P-C4' energy: -86.793
flat angles P-C4'-P energy: -58.019
tors. eta vs tors. theta energy: -121.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 337
Temperature: 0.950000
Total energy: -1343.303716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1343.303716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1343.303716 (E_RNA)
where:
Base-Base interactions energy: -933.261
where: short stacking energy: -403.324
Base-Backbone interact. energy: -2.358
local terms energy: -407.684813
where:
bonds (distance) C4'-P energy: -75.335
bonds (distance) P-C4' energy: -81.715
flat angles C4'-P-C4' energy: -83.681
flat angles P-C4'-P energy: -62.214
tors. eta vs tors. theta energy: -104.740
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: 5
=====================================
Write number: 337
Temperature: 1.000000
Total energy: -1289.379951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1289.379951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1289.379951 (E_RNA)
where:
Base-Base interactions energy: -897.811
where: short stacking energy: -373.880
Base-Backbone interact. energy: -1.384
local terms energy: -390.185524
where:
bonds (distance) C4'-P energy: -76.648
bonds (distance) P-C4' energy: -70.744
flat angles C4'-P-C4' energy: -86.738
flat angles P-C4'-P energy: -47.179
tors. eta vs tors. theta energy: -108.876
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 337
Temperature: 1.050000
Total energy: -1168.880786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1168.880786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1168.880786 (E_RNA)
where:
Base-Base interactions energy: -799.934
where: short stacking energy: -341.389
Base-Backbone interact. energy: -3.136
local terms energy: -365.811376
where:
bonds (distance) C4'-P energy: -64.495
bonds (distance) P-C4' energy: -79.717
flat angles C4'-P-C4' energy: -81.555
flat angles P-C4'-P energy: -48.802
tors. eta vs tors. theta energy: -91.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 337
Temperature: 1.100000
Total energy: -1107.715895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1107.715895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1107.715895 (E_RNA)
where:
Base-Base interactions energy: -770.384
where: short stacking energy: -322.099
Base-Backbone interact. energy: -1.463
local terms energy: -335.868492
where:
bonds (distance) C4'-P energy: -58.819
bonds (distance) P-C4' energy: -64.528
flat angles C4'-P-C4' energy: -80.894
flat angles P-C4'-P energy: -57.974
tors. eta vs tors. theta energy: -73.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 337
Temperature: 1.150000
Total energy: -1084.830810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1084.830810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1084.830810 (E_RNA)
where:
Base-Base interactions energy: -726.214
where: short stacking energy: -313.689
Base-Backbone interact. energy: 1.145
local terms energy: -359.762264
where:
bonds (distance) C4'-P energy: -74.818
bonds (distance) P-C4' energy: -67.378
flat angles C4'-P-C4' energy: -77.618
flat angles P-C4'-P energy: -52.190
tors. eta vs tors. theta energy: -87.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 337
Temperature: 1.200000
Total energy: -987.901836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -987.901836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -987.901836 (E_RNA)
where:
Base-Base interactions energy: -655.669
where: short stacking energy: -285.225
Base-Backbone interact. energy: 2.262
local terms energy: -334.495076
where:
bonds (distance) C4'-P energy: -68.698
bonds (distance) P-C4' energy: -73.211
flat angles C4'-P-C4' energy: -79.642
flat angles P-C4'-P energy: -41.879
tors. eta vs tors. theta energy: -71.065
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: 8, replica: 8
=====================================
Write number: 337
Temperature: 1.250000
Total energy: -783.863830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -783.863830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -783.863830 (E_RNA)
where:
Base-Base interactions energy: -501.561
where: short stacking energy: -222.613
Base-Backbone interact. energy: 3.482
local terms energy: -285.784540
where:
bonds (distance) C4'-P energy: -60.602
bonds (distance) P-C4' energy: -70.055
flat angles C4'-P-C4' energy: -68.776
flat angles P-C4'-P energy: -41.996
tors. eta vs tors. theta energy: -44.356
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: 6
=====================================
Write number: 337
Temperature: 1.300000
Total energy: -597.295354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -597.295354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -597.295354 (E_RNA)
where:
Base-Base interactions energy: -359.407
where: short stacking energy: -185.960
Base-Backbone interact. energy: -1.318
local terms energy: -236.569830
where:
bonds (distance) C4'-P energy: -70.960
bonds (distance) P-C4' energy: -60.805
flat angles C4'-P-C4' energy: -49.318
flat angles P-C4'-P energy: -42.548
tors. eta vs tors. theta energy: -12.939
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: 10, replica: 2
=====================================
Write number: 337
Temperature: 1.350000
Total energy: -490.882514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.882514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.882514 (E_RNA)
where:
Base-Base interactions energy: -254.552
where: short stacking energy: -133.436
Base-Backbone interact. energy: -0.962
local terms energy: -235.368836
where:
bonds (distance) C4'-P energy: -54.531
bonds (distance) P-C4' energy: -66.359
flat angles C4'-P-C4' energy: -57.427
flat angles P-C4'-P energy: -38.349
tors. eta vs tors. theta energy: -18.703
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: 3
=====================================
Write number: 338
Temperature: 0.900000
Total energy: -1386.938329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1386.938329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1386.938329 (E_RNA)
where:
Base-Base interactions energy: -955.907
where: short stacking energy: -415.552
Base-Backbone interact. energy: 1.184
local terms energy: -432.215059
where:
bonds (distance) C4'-P energy: -78.629
bonds (distance) P-C4' energy: -72.873
flat angles C4'-P-C4' energy: -90.544
flat angles P-C4'-P energy: -63.924
tors. eta vs tors. theta energy: -126.244
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: 338
Temperature: 0.950000
Total energy: -1339.082262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1339.082262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1339.082262 (E_RNA)
where:
Base-Base interactions energy: -926.673
where: short stacking energy: -387.863
Base-Backbone interact. energy: -2.889
local terms energy: -410.237859
where:
bonds (distance) C4'-P energy: -70.539
bonds (distance) P-C4' energy: -72.528
flat angles C4'-P-C4' energy: -85.668
flat angles P-C4'-P energy: -65.788
tors. eta vs tors. theta energy: -115.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.717 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 338
Temperature: 1.000000
Total energy: -1314.973033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1314.973033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1314.973033 (E_RNA)
where:
Base-Base interactions energy: -923.998
where: short stacking energy: -369.802
Base-Backbone interact. energy: -2.751
local terms energy: -388.224718
where:
bonds (distance) C4'-P energy: -73.883
bonds (distance) P-C4' energy: -75.714
flat angles C4'-P-C4' energy: -80.459
flat angles P-C4'-P energy: -58.511
tors. eta vs tors. theta energy: -99.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 338
Temperature: 1.050000
Total energy: -1209.463891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1209.463891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1209.463891 (E_RNA)
where:
Base-Base interactions energy: -825.400
where: short stacking energy: -369.018
Base-Backbone interact. energy: -0.064
local terms energy: -383.999632
where:
bonds (distance) C4'-P energy: -78.148
bonds (distance) P-C4' energy: -74.561
flat angles C4'-P-C4' energy: -82.287
flat angles P-C4'-P energy: -45.303
tors. eta vs tors. theta energy: -103.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 338
Temperature: 1.100000
Total energy: -1109.604406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1109.604406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1109.604406 (E_RNA)
where:
Base-Base interactions energy: -758.645
where: short stacking energy: -329.525
Base-Backbone interact. energy: -0.533
local terms energy: -350.426314
where:
bonds (distance) C4'-P energy: -76.100
bonds (distance) P-C4' energy: -68.834
flat angles C4'-P-C4' energy: -75.104
flat angles P-C4'-P energy: -52.248
tors. eta vs tors. theta energy: -78.139
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: 1
=====================================
Write number: 338
Temperature: 1.150000
Total energy: -1058.400959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1058.400959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1058.400959 (E_RNA)
where:
Base-Base interactions energy: -691.053
where: short stacking energy: -306.041
Base-Backbone interact. energy: -2.721
local terms energy: -364.627562
where:
bonds (distance) C4'-P energy: -69.170
bonds (distance) P-C4' energy: -68.055
flat angles C4'-P-C4' energy: -81.114
flat angles P-C4'-P energy: -57.362
tors. eta vs tors. theta energy: -88.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 338
Temperature: 1.200000
Total energy: -1009.530146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1009.530146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1009.530146 (E_RNA)
where:
Base-Base interactions energy: -681.255
where: short stacking energy: -271.419
Base-Backbone interact. energy: -2.867
local terms energy: -325.407599
where:
bonds (distance) C4'-P energy: -57.914
bonds (distance) P-C4' energy: -79.548
flat angles C4'-P-C4' energy: -72.977
flat angles P-C4'-P energy: -47.703
tors. eta vs tors. theta energy: -67.266
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: 8
=====================================
Write number: 338
Temperature: 1.250000
Total energy: -820.131447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -820.131447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -820.131447 (E_RNA)
where:
Base-Base interactions energy: -517.441
where: short stacking energy: -252.665
Base-Backbone interact. energy: -1.417
local terms energy: -301.273886
where:
bonds (distance) C4'-P energy: -62.865
bonds (distance) P-C4' energy: -63.957
flat angles C4'-P-C4' energy: -74.090
flat angles P-C4'-P energy: -40.041
tors. eta vs tors. theta energy: -60.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 338
Temperature: 1.300000
Total energy: -594.200722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -594.200722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -594.200722 (E_RNA)
where:
Base-Base interactions energy: -359.324
where: short stacking energy: -179.346
Base-Backbone interact. energy: -1.261
local terms energy: -233.615416
where:
bonds (distance) C4'-P energy: -61.087
bonds (distance) P-C4' energy: -59.671
flat angles C4'-P-C4' energy: -57.843
flat angles P-C4'-P energy: -33.332
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: 10, replica: 2
=====================================
Write number: 338
Temperature: 1.350000
Total energy: -500.812350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.812350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.812350 (E_RNA)
where:
Base-Base interactions energy: -276.316
where: short stacking energy: -147.173
Base-Backbone interact. energy: -0.377
local terms energy: -224.119658
where:
bonds (distance) C4'-P energy: -65.697
bonds (distance) P-C4' energy: -66.728
flat angles C4'-P-C4' energy: -58.698
flat angles P-C4'-P energy: -27.625
tors. eta vs tors. theta energy: -5.372
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: 1, replica: 3
=====================================
Write number: 339
Temperature: 0.900000
Total energy: -1361.176731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1361.176731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1361.176731 (E_RNA)
where:
Base-Base interactions energy: -949.787
where: short stacking energy: -420.192
Base-Backbone interact. energy: 2.147
local terms energy: -413.536500
where:
bonds (distance) C4'-P energy: -75.866
bonds (distance) P-C4' energy: -72.044
flat angles C4'-P-C4' energy: -85.178
flat angles P-C4'-P energy: -63.401
tors. eta vs tors. theta energy: -117.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 339
Temperature: 0.950000
Total energy: -1331.633212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1331.633212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1331.633212 (E_RNA)
where:
Base-Base interactions energy: -929.758
where: short stacking energy: -391.020
Base-Backbone interact. energy: -0.725
local terms energy: -401.150198
where:
bonds (distance) C4'-P energy: -82.139
bonds (distance) P-C4' energy: -71.086
flat angles C4'-P-C4' energy: -83.704
flat angles P-C4'-P energy: -58.914
tors. eta vs tors. theta energy: -105.308
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: 7
=====================================
Write number: 339
Temperature: 1.000000
Total energy: -1309.826752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1309.826752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1309.826752 (E_RNA)
where:
Base-Base interactions energy: -907.125
where: short stacking energy: -385.584
Base-Backbone interact. energy: -1.670
local terms energy: -401.403430
where:
bonds (distance) C4'-P energy: -66.444
bonds (distance) P-C4' energy: -79.858
flat angles C4'-P-C4' energy: -84.543
flat angles P-C4'-P energy: -58.620
tors. eta vs tors. theta energy: -111.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.372 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 339
Temperature: 1.050000
Total energy: -1182.166003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1182.166003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1182.166003 (E_RNA)
where:
Base-Base interactions energy: -825.735
where: short stacking energy: -345.055
Base-Backbone interact. energy: -2.020
local terms energy: -354.410884
where:
bonds (distance) C4'-P energy: -69.694
bonds (distance) P-C4' energy: -63.471
flat angles C4'-P-C4' energy: -79.320
flat angles P-C4'-P energy: -41.436
tors. eta vs tors. theta energy: -100.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 339
Temperature: 1.100000
Total energy: -1111.646484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1111.646484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1111.646484 (E_RNA)
where:
Base-Base interactions energy: -761.103
where: short stacking energy: -310.239
Base-Backbone interact. energy: 4.358
local terms energy: -354.901504
where:
bonds (distance) C4'-P energy: -67.394
bonds (distance) P-C4' energy: -76.939
flat angles C4'-P-C4' energy: -81.023
flat angles P-C4'-P energy: -55.961
tors. eta vs tors. theta energy: -73.585
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: 10
=====================================
Write number: 339
Temperature: 1.150000
Total energy: -1087.233950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1087.233950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1087.233950 (E_RNA)
where:
Base-Base interactions energy: -743.410
where: short stacking energy: -327.443
Base-Backbone interact. energy: -1.800
local terms energy: -342.023827
where:
bonds (distance) C4'-P energy: -73.549
bonds (distance) P-C4' energy: -67.219
flat angles C4'-P-C4' energy: -86.012
flat angles P-C4'-P energy: -35.100
tors. eta vs tors. theta energy: -80.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 339
Temperature: 1.200000
Total energy: -991.198345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -991.198345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -991.198345 (E_RNA)
where:
Base-Base interactions energy: -663.211
where: short stacking energy: -314.659
Base-Backbone interact. energy: -1.372
local terms energy: -326.615034
where:
bonds (distance) C4'-P energy: -63.393
bonds (distance) P-C4' energy: -64.470
flat angles C4'-P-C4' energy: -71.554
flat angles P-C4'-P energy: -47.523
tors. eta vs tors. theta energy: -79.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 339
Temperature: 1.250000
Total energy: -802.779286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -802.779286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -802.779286 (E_RNA)
where:
Base-Base interactions energy: -500.346
where: short stacking energy: -234.983
Base-Backbone interact. energy: 1.596
local terms energy: -304.029323
where:
bonds (distance) C4'-P energy: -67.921
bonds (distance) P-C4' energy: -73.909
flat angles C4'-P-C4' energy: -70.229
flat angles P-C4'-P energy: -41.277
tors. eta vs tors. theta energy: -50.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 339
Temperature: 1.300000
Total energy: -595.237637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -595.237637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -595.237637 (E_RNA)
where:
Base-Base interactions energy: -355.354
where: short stacking energy: -177.843
Base-Backbone interact. energy: 3.295
local terms energy: -243.178161
where:
bonds (distance) C4'-P energy: -65.118
bonds (distance) P-C4' energy: -63.731
flat angles C4'-P-C4' energy: -59.421
flat angles P-C4'-P energy: -34.602
tors. eta vs tors. theta energy: -20.307
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: 10, replica: 2
=====================================
Write number: 339
Temperature: 1.350000
Total energy: -473.634641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.634641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.634641 (E_RNA)
where:
Base-Base interactions energy: -243.463
where: short stacking energy: -135.132
Base-Backbone interact. energy: 3.898
local terms energy: -234.069638
where:
bonds (distance) C4'-P energy: -65.913
bonds (distance) P-C4' energy: -72.484
flat angles C4'-P-C4' energy: -53.685
flat angles P-C4'-P energy: -23.361
tors. eta vs tors. theta energy: -18.626
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: 3
=====================================
Write number: 340
Temperature: 0.900000
Total energy: -1407.267765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1407.267765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1407.267765 (E_RNA)
where:
Base-Base interactions energy: -977.216
where: short stacking energy: -408.538
Base-Backbone interact. energy: -1.949
local terms energy: -428.102231
where:
bonds (distance) C4'-P energy: -82.182
bonds (distance) P-C4' energy: -73.345
flat angles C4'-P-C4' energy: -96.312
flat angles P-C4'-P energy: -49.844
tors. eta vs tors. theta energy: -126.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 340
Temperature: 0.950000
Total energy: -1329.904326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1329.904326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1329.904326 (E_RNA)
where:
Base-Base interactions energy: -908.177
where: short stacking energy: -384.488
Base-Backbone interact. energy: -0.913
local terms energy: -420.815146
where:
bonds (distance) C4'-P energy: -76.968
bonds (distance) P-C4' energy: -84.100
flat angles C4'-P-C4' energy: -83.807
flat angles P-C4'-P energy: -67.295
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: 3, replica: 7
=====================================
Write number: 340
Temperature: 1.000000
Total energy: -1301.717453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1301.717453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1301.717453 (E_RNA)
where:
Base-Base interactions energy: -906.514
where: short stacking energy: -380.174
Base-Backbone interact. energy: -1.457
local terms energy: -396.359394
where:
bonds (distance) C4'-P energy: -71.069
bonds (distance) P-C4' energy: -75.032
flat angles C4'-P-C4' energy: -82.216
flat angles P-C4'-P energy: -57.551
tors. eta vs tors. theta energy: -110.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 2.613 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 340
Temperature: 1.050000
Total energy: -1219.141744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1219.141744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1219.141744 (E_RNA)
where:
Base-Base interactions energy: -832.071
where: short stacking energy: -360.147
Base-Backbone interact. energy: -1.685
local terms energy: -385.386067
where:
bonds (distance) C4'-P energy: -73.250
bonds (distance) P-C4' energy: -81.749
flat angles C4'-P-C4' energy: -78.489
flat angles P-C4'-P energy: -51.906
tors. eta vs tors. theta energy: -99.991
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: 4
=====================================
Write number: 340
Temperature: 1.100000
Total energy: -1102.039714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1102.039714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1102.039714 (E_RNA)
where:
Base-Base interactions energy: -752.835
where: short stacking energy: -316.457
Base-Backbone interact. energy: -2.602
local terms energy: -346.602643
where:
bonds (distance) C4'-P energy: -67.971
bonds (distance) P-C4' energy: -66.492
flat angles C4'-P-C4' energy: -78.968
flat angles P-C4'-P energy: -50.365
tors. eta vs tors. theta energy: -82.807
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: 10
=====================================
Write number: 340
Temperature: 1.150000
Total energy: -1087.715306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1087.715306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1087.715306 (E_RNA)
where:
Base-Base interactions energy: -729.411
where: short stacking energy: -315.177
Base-Backbone interact. energy: -0.299
local terms energy: -358.005745
where:
bonds (distance) C4'-P energy: -61.489
bonds (distance) P-C4' energy: -66.299
flat angles C4'-P-C4' energy: -84.149
flat angles P-C4'-P energy: -55.560
tors. eta vs tors. theta energy: -90.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 340
Temperature: 1.200000
Total energy: -994.578135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -994.578135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -994.578135 (E_RNA)
where:
Base-Base interactions energy: -669.910
where: short stacking energy: -296.009
Base-Backbone interact. energy: 3.141
local terms energy: -327.809793
where:
bonds (distance) C4'-P energy: -57.344
bonds (distance) P-C4' energy: -67.829
flat angles C4'-P-C4' energy: -72.320
flat angles P-C4'-P energy: -53.920
tors. eta vs tors. theta energy: -76.397
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: 8
=====================================
Write number: 340
Temperature: 1.250000
Total energy: -788.531230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -788.531230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -788.531230 (E_RNA)
where:
Base-Base interactions energy: -500.906
where: short stacking energy: -244.832
Base-Backbone interact. energy: 1.029
local terms energy: -288.654681
where:
bonds (distance) C4'-P energy: -45.932
bonds (distance) P-C4' energy: -75.364
flat angles C4'-P-C4' energy: -74.501
flat angles P-C4'-P energy: -41.783
tors. eta vs tors. theta energy: -51.075
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: 6
=====================================
Write number: 340
Temperature: 1.300000
Total energy: -634.541383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -634.541383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -634.541383 (E_RNA)
where:
Base-Base interactions energy: -363.427
where: short stacking energy: -199.055
Base-Backbone interact. energy: 0.414
local terms energy: -271.527881
where:
bonds (distance) C4'-P energy: -64.790
bonds (distance) P-C4' energy: -75.666
flat angles C4'-P-C4' energy: -72.720
flat angles P-C4'-P energy: -29.195
tors. eta vs tors. theta energy: -29.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 340
Temperature: 1.350000
Total energy: -451.942290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.942290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.942290 (E_RNA)
where:
Base-Base interactions energy: -238.976
where: short stacking energy: -122.630
Base-Backbone interact. energy: -1.092
local terms energy: -211.873888
where:
bonds (distance) C4'-P energy: -61.520
bonds (distance) P-C4' energy: -77.029
flat angles C4'-P-C4' energy: -48.088
flat angles P-C4'-P energy: -25.162
tors. eta vs tors. theta energy: -0.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 341
Temperature: 0.900000
Total energy: -1370.047963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1370.047963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1370.047963 (E_RNA)
where:
Base-Base interactions energy: -962.523
where: short stacking energy: -398.416
Base-Backbone interact. energy: -3.620
local terms energy: -403.905175
where:
bonds (distance) C4'-P energy: -76.282
bonds (distance) P-C4' energy: -69.593
flat angles C4'-P-C4' energy: -82.944
flat angles P-C4'-P energy: -57.232
tors. eta vs tors. theta energy: -117.854
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: 5
=====================================
Write number: 341
Temperature: 0.950000
Total energy: -1338.041610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1338.041610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1338.041610 (E_RNA)
where:
Base-Base interactions energy: -934.498
where: short stacking energy: -392.557
Base-Backbone interact. energy: -1.694
local terms energy: -401.849448
where:
bonds (distance) C4'-P energy: -67.784
bonds (distance) P-C4' energy: -76.448
flat angles C4'-P-C4' energy: -79.322
flat angles P-C4'-P energy: -66.730
tors. eta vs tors. theta energy: -111.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 341
Temperature: 1.000000
Total energy: -1256.257267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1256.257267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1256.257267 (E_RNA)
where:
Base-Base interactions energy: -885.448
where: short stacking energy: -372.632
Base-Backbone interact. energy: -2.693
local terms energy: -368.116691
where:
bonds (distance) C4'-P energy: -70.121
bonds (distance) P-C4' energy: -75.428
flat angles C4'-P-C4' energy: -79.843
flat angles P-C4'-P energy: -52.372
tors. eta vs tors. theta energy: -90.352
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: 9
=====================================
Write number: 341
Temperature: 1.050000
Total energy: -1207.622827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1207.622827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1207.622827 (E_RNA)
where:
Base-Base interactions energy: -840.680
where: short stacking energy: -362.163
Base-Backbone interact. energy: -1.041
local terms energy: -365.901559
where:
bonds (distance) C4'-P energy: -68.913
bonds (distance) P-C4' energy: -63.624
flat angles C4'-P-C4' energy: -79.278
flat angles P-C4'-P energy: -53.089
tors. eta vs tors. theta energy: -100.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 341
Temperature: 1.100000
Total energy: -1113.033309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1113.033309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1113.033309 (E_RNA)
where:
Base-Base interactions energy: -772.088
where: short stacking energy: -321.228
Base-Backbone interact. energy: 0.219
local terms energy: -341.164750
where:
bonds (distance) C4'-P energy: -71.686
bonds (distance) P-C4' energy: -73.613
flat angles C4'-P-C4' energy: -71.843
flat angles P-C4'-P energy: -42.183
tors. eta vs tors. theta energy: -81.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 341
Temperature: 1.150000
Total energy: -1082.721484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1082.721484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1082.721484 (E_RNA)
where:
Base-Base interactions energy: -726.369
where: short stacking energy: -304.921
Base-Backbone interact. energy: -5.397
local terms energy: -350.954700
where:
bonds (distance) C4'-P energy: -64.508
bonds (distance) P-C4' energy: -68.049
flat angles C4'-P-C4' energy: -82.506
flat angles P-C4'-P energy: -60.090
tors. eta vs tors. theta energy: -75.802
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: 7, replica: 1
=====================================
Write number: 341
Temperature: 1.200000
Total energy: -1014.123123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1014.123123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1014.123123 (E_RNA)
where:
Base-Base interactions energy: -680.944
where: short stacking energy: -308.292
Base-Backbone interact. energy: 0.434
local terms energy: -333.777768
where:
bonds (distance) C4'-P energy: -66.568
bonds (distance) P-C4' energy: -65.056
flat angles C4'-P-C4' energy: -60.863
flat angles P-C4'-P energy: -54.562
tors. eta vs tors. theta energy: -86.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.166 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 341
Temperature: 1.250000
Total energy: -722.643867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -722.643867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -722.643867 (E_RNA)
where:
Base-Base interactions energy: -445.818
where: short stacking energy: -229.163
Base-Backbone interact. energy: 2.340
local terms energy: -279.165947
where:
bonds (distance) C4'-P energy: -61.216
bonds (distance) P-C4' energy: -66.152
flat angles C4'-P-C4' energy: -65.419
flat angles P-C4'-P energy: -41.308
tors. eta vs tors. theta energy: -45.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 341
Temperature: 1.300000
Total energy: -798.455538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -798.455538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -798.455538 (E_RNA)
where:
Base-Base interactions energy: -531.799
where: short stacking energy: -232.294
Base-Backbone interact. energy: -1.560
local terms energy: -265.095943
where:
bonds (distance) C4'-P energy: -60.135
bonds (distance) P-C4' energy: -56.851
flat angles C4'-P-C4' energy: -57.754
flat angles P-C4'-P energy: -38.857
tors. eta vs tors. theta energy: -51.499
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: 2
=====================================
Write number: 341
Temperature: 1.350000
Total energy: -472.041191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.041191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.041191 (E_RNA)
where:
Base-Base interactions energy: -265.548
where: short stacking energy: -124.268
Base-Backbone interact. energy: -0.170
local terms energy: -206.322686
where:
bonds (distance) C4'-P energy: -68.337
bonds (distance) P-C4' energy: -61.343
flat angles C4'-P-C4' energy: -41.903
flat angles P-C4'-P energy: -30.229
tors. eta vs tors. theta energy: -4.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 342
Temperature: 0.900000
Total energy: -1389.786756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1389.786756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1389.786756 (E_RNA)
where:
Base-Base interactions energy: -962.846
where: short stacking energy: -405.569
Base-Backbone interact. energy: -0.678
local terms energy: -426.262677
where:
bonds (distance) C4'-P energy: -74.159
bonds (distance) P-C4' energy: -81.530
flat angles C4'-P-C4' energy: -85.877
flat angles P-C4'-P energy: -61.814
tors. eta vs tors. theta energy: -122.883
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: 3
=====================================
Write number: 342
Temperature: 0.950000
Total energy: -1332.039239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1332.039239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1332.039239 (E_RNA)
where:
Base-Base interactions energy: -914.411
where: short stacking energy: -395.970
Base-Backbone interact. energy: -2.210
local terms energy: -415.418162
where:
bonds (distance) C4'-P energy: -73.334
bonds (distance) P-C4' energy: -79.335
flat angles C4'-P-C4' energy: -86.611
flat angles P-C4'-P energy: -54.997
tors. eta vs tors. theta energy: -121.142
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: 7
=====================================
Write number: 342
Temperature: 1.000000
Total energy: -1300.162179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1300.162179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1300.162179 (E_RNA)
where:
Base-Base interactions energy: -912.248
where: short stacking energy: -377.620
Base-Backbone interact. energy: -1.806
local terms energy: -386.108428
where:
bonds (distance) C4'-P energy: -68.893
bonds (distance) P-C4' energy: -80.108
flat angles C4'-P-C4' energy: -85.265
flat angles P-C4'-P energy: -61.247
tors. eta vs tors. theta energy: -90.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 342
Temperature: 1.050000
Total energy: -1198.617213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1198.617213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1198.617213 (E_RNA)
where:
Base-Base interactions energy: -830.336
where: short stacking energy: -336.471
Base-Backbone interact. energy: -1.086
local terms energy: -367.195738
where:
bonds (distance) C4'-P energy: -69.330
bonds (distance) P-C4' energy: -79.906
flat angles C4'-P-C4' energy: -79.672
flat angles P-C4'-P energy: -57.584
tors. eta vs tors. theta energy: -80.704
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: 5, replica: 10
=====================================
Write number: 342
Temperature: 1.100000
Total energy: -1109.576194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1109.576194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1109.576194 (E_RNA)
where:
Base-Base interactions energy: -768.496
where: short stacking energy: -334.478
Base-Backbone interact. energy: -1.569
local terms energy: -339.511192
where:
bonds (distance) C4'-P energy: -66.906
bonds (distance) P-C4' energy: -69.585
flat angles C4'-P-C4' energy: -60.468
flat angles P-C4'-P energy: -50.852
tors. eta vs tors. theta energy: -91.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 342
Temperature: 1.150000
Total energy: -1054.587221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1054.587221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1054.587221 (E_RNA)
where:
Base-Base interactions energy: -750.873
where: short stacking energy: -287.333
Base-Backbone interact. energy: 1.791
local terms energy: -305.504570
where:
bonds (distance) C4'-P energy: -52.055
bonds (distance) P-C4' energy: -65.280
flat angles C4'-P-C4' energy: -65.716
flat angles P-C4'-P energy: -49.401
tors. eta vs tors. theta energy: -73.052
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: 342
Temperature: 1.200000
Total energy: -973.987599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -973.987599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -973.987599 (E_RNA)
where:
Base-Base interactions energy: -644.818
where: short stacking energy: -296.788
Base-Backbone interact. energy: -0.701
local terms energy: -328.468972
where:
bonds (distance) C4'-P energy: -60.291
bonds (distance) P-C4' energy: -78.826
flat angles C4'-P-C4' energy: -67.513
flat angles P-C4'-P energy: -45.146
tors. eta vs tors. theta energy: -76.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 342
Temperature: 1.250000
Total energy: -754.554307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -754.554307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -754.554307 (E_RNA)
where:
Base-Base interactions energy: -479.336
where: short stacking energy: -217.291
Base-Backbone interact. energy: -0.422
local terms energy: -274.796010
where:
bonds (distance) C4'-P energy: -60.799
bonds (distance) P-C4' energy: -77.448
flat angles C4'-P-C4' energy: -57.973
flat angles P-C4'-P energy: -35.641
tors. eta vs tors. theta energy: -42.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 342
Temperature: 1.300000
Total energy: -761.122730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -761.122730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -761.122730 (E_RNA)
where:
Base-Base interactions energy: -504.787
where: short stacking energy: -219.288
Base-Backbone interact. energy: -1.408
local terms energy: -254.927746
where:
bonds (distance) C4'-P energy: -50.233
bonds (distance) P-C4' energy: -52.378
flat angles C4'-P-C4' energy: -79.565
flat angles P-C4'-P energy: -40.551
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: 10, replica: 2
=====================================
Write number: 342
Temperature: 1.350000
Total energy: -468.168334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.168334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.168334 (E_RNA)
where:
Base-Base interactions energy: -241.366
where: short stacking energy: -130.348
Base-Backbone interact. energy: 1.790
local terms energy: -228.592206
where:
bonds (distance) C4'-P energy: -59.840
bonds (distance) P-C4' energy: -61.102
flat angles C4'-P-C4' energy: -56.392
flat angles P-C4'-P energy: -34.709
tors. eta vs tors. theta energy: -16.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 343
Temperature: 0.900000
Total energy: -1374.356079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1374.356079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1374.356079 (E_RNA)
where:
Base-Base interactions energy: -955.459
where: short stacking energy: -408.413
Base-Backbone interact. energy: -2.311
local terms energy: -416.586523
where:
bonds (distance) C4'-P energy: -86.492
bonds (distance) P-C4' energy: -83.451
flat angles C4'-P-C4' energy: -81.429
flat angles P-C4'-P energy: -51.748
tors. eta vs tors. theta energy: -113.467
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: 343
Temperature: 0.950000
Total energy: -1343.627205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1343.627205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1343.627205 (E_RNA)
where:
Base-Base interactions energy: -932.818
where: short stacking energy: -377.767
Base-Backbone interact. energy: -1.670
local terms energy: -409.138622
where:
bonds (distance) C4'-P energy: -73.860
bonds (distance) P-C4' energy: -78.247
flat angles C4'-P-C4' energy: -77.047
flat angles P-C4'-P energy: -56.784
tors. eta vs tors. theta energy: -123.200
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: 7
=====================================
Write number: 343
Temperature: 1.000000
Total energy: -1286.243559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1286.243559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1286.243559 (E_RNA)
where:
Base-Base interactions energy: -896.520
where: short stacking energy: -368.590
Base-Backbone interact. energy: -3.497
local terms energy: -386.501318
where:
bonds (distance) C4'-P energy: -69.739
bonds (distance) P-C4' energy: -76.211
flat angles C4'-P-C4' energy: -88.646
flat angles P-C4'-P energy: -57.387
tors. eta vs tors. theta energy: -94.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.275 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 343
Temperature: 1.050000
Total energy: -1224.624640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1224.624640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1224.624640 (E_RNA)
where:
Base-Base interactions energy: -841.899
where: short stacking energy: -373.051
Base-Backbone interact. energy: -1.755
local terms energy: -380.970889
where:
bonds (distance) C4'-P energy: -70.307
bonds (distance) P-C4' energy: -62.503
flat angles C4'-P-C4' energy: -84.940
flat angles P-C4'-P energy: -63.211
tors. eta vs tors. theta energy: -100.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 343
Temperature: 1.100000
Total energy: -1135.763223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1135.763223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1135.763223 (E_RNA)
where:
Base-Base interactions energy: -784.662
where: short stacking energy: -348.509
Base-Backbone interact. energy: -2.453
local terms energy: -348.649135
where:
bonds (distance) C4'-P energy: -61.899
bonds (distance) P-C4' energy: -62.445
flat angles C4'-P-C4' energy: -80.712
flat angles P-C4'-P energy: -44.125
tors. eta vs tors. theta energy: -99.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 343
Temperature: 1.150000
Total energy: -1096.894438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1096.894438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1096.894438 (E_RNA)
where:
Base-Base interactions energy: -771.574
where: short stacking energy: -305.040
Base-Backbone interact. energy: 6.178
local terms energy: -331.497766
where:
bonds (distance) C4'-P energy: -79.875
bonds (distance) P-C4' energy: -70.155
flat angles C4'-P-C4' energy: -70.060
flat angles P-C4'-P energy: -34.553
tors. eta vs tors. theta energy: -76.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 343
Temperature: 1.200000
Total energy: -982.075313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -982.075313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -982.075313 (E_RNA)
where:
Base-Base interactions energy: -651.314
where: short stacking energy: -309.335
Base-Backbone interact. energy: 1.014
local terms energy: -331.775720
where:
bonds (distance) C4'-P energy: -71.057
bonds (distance) P-C4' energy: -53.608
flat angles C4'-P-C4' energy: -79.582
flat angles P-C4'-P energy: -47.648
tors. eta vs tors. theta energy: -79.881
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: 8
=====================================
Write number: 343
Temperature: 1.250000
Total energy: -798.080597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -798.080597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -798.080597 (E_RNA)
where:
Base-Base interactions energy: -512.776
where: short stacking energy: -239.658
Base-Backbone interact. energy: -0.922
local terms energy: -284.382647
where:
bonds (distance) C4'-P energy: -59.688
bonds (distance) P-C4' energy: -70.957
flat angles C4'-P-C4' energy: -57.592
flat angles P-C4'-P energy: -39.221
tors. eta vs tors. theta energy: -56.924
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: 9, replica: 6
=====================================
Write number: 343
Temperature: 1.300000
Total energy: -699.498630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -699.498630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -699.498630 (E_RNA)
where:
Base-Base interactions energy: -427.702
where: short stacking energy: -202.523
Base-Backbone interact. energy: -2.167
local terms energy: -269.629852
where:
bonds (distance) C4'-P energy: -54.581
bonds (distance) P-C4' energy: -72.403
flat angles C4'-P-C4' energy: -68.430
flat angles P-C4'-P energy: -39.817
tors. eta vs tors. theta energy: -34.399
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: 10, replica: 2
=====================================
Write number: 343
Temperature: 1.350000
Total energy: -446.789413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.789413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.789413 (E_RNA)
where:
Base-Base interactions energy: -221.997
where: short stacking energy: -109.064
Base-Backbone interact. energy: -0.868
local terms energy: -223.924359
where:
bonds (distance) C4'-P energy: -67.789
bonds (distance) P-C4' energy: -64.765
flat angles C4'-P-C4' energy: -53.089
flat angles P-C4'-P energy: -43.151
tors. eta vs tors. theta energy: 4.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 344
Temperature: 0.900000
Total energy: -1372.064886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1372.064886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1372.064886 (E_RNA)
where:
Base-Base interactions energy: -956.495
where: short stacking energy: -393.976
Base-Backbone interact. energy: -0.791
local terms energy: -414.778294
where:
bonds (distance) C4'-P energy: -73.780
bonds (distance) P-C4' energy: -75.594
flat angles C4'-P-C4' energy: -94.789
flat angles P-C4'-P energy: -56.077
tors. eta vs tors. theta energy: -114.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 344
Temperature: 0.950000
Total energy: -1339.417142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1339.417142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1339.417142 (E_RNA)
where:
Base-Base interactions energy: -957.153
where: short stacking energy: -394.871
Base-Backbone interact. energy: -2.608
local terms energy: -379.655697
where:
bonds (distance) C4'-P energy: -71.222
bonds (distance) P-C4' energy: -86.387
flat angles C4'-P-C4' energy: -73.007
flat angles P-C4'-P energy: -43.977
tors. eta vs tors. theta energy: -105.062
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: 7
=====================================
Write number: 344
Temperature: 1.000000
Total energy: -1294.119369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1294.119369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1294.119369 (E_RNA)
where:
Base-Base interactions energy: -902.890
where: short stacking energy: -359.944
Base-Backbone interact. energy: -2.081
local terms energy: -389.148636
where:
bonds (distance) C4'-P energy: -84.148
bonds (distance) P-C4' energy: -78.783
flat angles C4'-P-C4' energy: -76.235
flat angles P-C4'-P energy: -55.741
tors. eta vs tors. theta energy: -94.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 344
Temperature: 1.050000
Total energy: -1211.556498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1211.556498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1211.556498 (E_RNA)
where:
Base-Base interactions energy: -816.882
where: short stacking energy: -352.244
Base-Backbone interact. energy: -0.657
local terms energy: -394.017332
where:
bonds (distance) C4'-P energy: -75.842
bonds (distance) P-C4' energy: -77.288
flat angles C4'-P-C4' energy: -84.026
flat angles P-C4'-P energy: -49.928
tors. eta vs tors. theta energy: -106.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 344
Temperature: 1.100000
Total energy: -1133.576086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1133.576086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1133.576086 (E_RNA)
where:
Base-Base interactions energy: -797.071
where: short stacking energy: -334.292
Base-Backbone interact. energy: -1.666
local terms energy: -334.838841
where:
bonds (distance) C4'-P energy: -56.486
bonds (distance) P-C4' energy: -71.211
flat angles C4'-P-C4' energy: -76.588
flat angles P-C4'-P energy: -46.335
tors. eta vs tors. theta energy: -84.219
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: 6, replica: 4
=====================================
Write number: 344
Temperature: 1.150000
Total energy: -1104.601612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1104.601612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1104.601612 (E_RNA)
where:
Base-Base interactions energy: -743.237
where: short stacking energy: -298.083
Base-Backbone interact. energy: -2.216
local terms energy: -359.149080
where:
bonds (distance) C4'-P energy: -76.872
bonds (distance) P-C4' energy: -75.978
flat angles C4'-P-C4' energy: -82.193
flat angles P-C4'-P energy: -49.947
tors. eta vs tors. theta energy: -74.159
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: 344
Temperature: 1.200000
Total energy: -1039.318183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1039.318183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1039.318183 (E_RNA)
where:
Base-Base interactions energy: -693.894
where: short stacking energy: -319.207
Base-Backbone interact. energy: -0.599
local terms energy: -344.825168
where:
bonds (distance) C4'-P energy: -60.011
bonds (distance) P-C4' energy: -80.665
flat angles C4'-P-C4' energy: -72.652
flat angles P-C4'-P energy: -48.912
tors. eta vs tors. theta energy: -82.585
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: 8
=====================================
Write number: 344
Temperature: 1.250000
Total energy: -788.827768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -788.827768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -788.827768 (E_RNA)
where:
Base-Base interactions energy: -528.966
where: short stacking energy: -235.754
Base-Backbone interact. energy: 0.603
local terms energy: -260.464754
where:
bonds (distance) C4'-P energy: -66.377
bonds (distance) P-C4' energy: -67.550
flat angles C4'-P-C4' energy: -53.024
flat angles P-C4'-P energy: -34.049
tors. eta vs tors. theta energy: -39.465
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: 9, replica: 6
=====================================
Write number: 344
Temperature: 1.300000
Total energy: -659.121956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -659.121956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -659.121956 (E_RNA)
where:
Base-Base interactions energy: -408.140
where: short stacking energy: -188.006
Base-Backbone interact. energy: -1.792
local terms energy: -249.190352
where:
bonds (distance) C4'-P energy: -62.341
bonds (distance) P-C4' energy: -64.402
flat angles C4'-P-C4' energy: -56.314
flat angles P-C4'-P energy: -42.584
tors. eta vs tors. theta energy: -23.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 344
Temperature: 1.350000
Total energy: -494.055456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.055456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.055456 (E_RNA)
where:
Base-Base interactions energy: -250.614
where: short stacking energy: -123.532
Base-Backbone interact. energy: -0.347
local terms energy: -243.094546
where:
bonds (distance) C4'-P energy: -66.263
bonds (distance) P-C4' energy: -65.006
flat angles C4'-P-C4' energy: -61.605
flat angles P-C4'-P energy: -39.736
tors. eta vs tors. theta energy: -10.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 345
Temperature: 0.900000
Total energy: -1374.965417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1374.965417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1374.965417 (E_RNA)
where:
Base-Base interactions energy: -956.379
where: short stacking energy: -395.135
Base-Backbone interact. energy: -1.182
local terms energy: -417.404730
where:
bonds (distance) C4'-P energy: -71.596
bonds (distance) P-C4' energy: -83.063
flat angles C4'-P-C4' energy: -88.733
flat angles P-C4'-P energy: -65.016
tors. eta vs tors. theta energy: -108.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 345
Temperature: 0.950000
Total energy: -1333.064123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1333.064123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1333.064123 (E_RNA)
where:
Base-Base interactions energy: -926.451
where: short stacking energy: -395.198
Base-Backbone interact. energy: -1.964
local terms energy: -404.649476
where:
bonds (distance) C4'-P energy: -76.205
bonds (distance) P-C4' energy: -83.234
flat angles C4'-P-C4' energy: -81.697
flat angles P-C4'-P energy: -52.428
tors. eta vs tors. theta energy: -111.086
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: 7
=====================================
Write number: 345
Temperature: 1.000000
Total energy: -1296.645651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1296.645651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1296.645651 (E_RNA)
where:
Base-Base interactions energy: -904.615
where: short stacking energy: -357.411
Base-Backbone interact. energy: -2.444
local terms energy: -389.586329
where:
bonds (distance) C4'-P energy: -70.376
bonds (distance) P-C4' energy: -76.593
flat angles C4'-P-C4' energy: -87.462
flat angles P-C4'-P energy: -58.645
tors. eta vs tors. theta energy: -96.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 345
Temperature: 1.050000
Total energy: -1195.711898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1195.711898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1195.711898 (E_RNA)
where:
Base-Base interactions energy: -828.297
where: short stacking energy: -352.160
Base-Backbone interact. energy: 0.132
local terms energy: -367.546879
where:
bonds (distance) C4'-P energy: -66.244
bonds (distance) P-C4' energy: -72.707
flat angles C4'-P-C4' energy: -82.355
flat angles P-C4'-P energy: -44.969
tors. eta vs tors. theta energy: -101.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 345
Temperature: 1.100000
Total energy: -1115.684153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1115.684153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1115.684153 (E_RNA)
where:
Base-Base interactions energy: -758.995
where: short stacking energy: -332.645
Base-Backbone interact. energy: -3.998
local terms energy: -352.691905
where:
bonds (distance) C4'-P energy: -67.046
bonds (distance) P-C4' energy: -72.037
flat angles C4'-P-C4' energy: -77.992
flat angles P-C4'-P energy: -54.956
tors. eta vs tors. theta energy: -80.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 345
Temperature: 1.150000
Total energy: -1051.367565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1051.367565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1051.367565 (E_RNA)
where:
Base-Base interactions energy: -710.737
where: short stacking energy: -326.110
Base-Backbone interact. energy: -0.891
local terms energy: -339.739811
where:
bonds (distance) C4'-P energy: -75.996
bonds (distance) P-C4' energy: -65.362
flat angles C4'-P-C4' energy: -66.381
flat angles P-C4'-P energy: -50.716
tors. eta vs tors. theta energy: -81.285
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: 7, replica: 4
=====================================
Write number: 345
Temperature: 1.200000
Total energy: -1046.040040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1046.040040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1046.040040 (E_RNA)
where:
Base-Base interactions energy: -729.965
where: short stacking energy: -299.717
Base-Backbone interact. energy: -0.279
local terms energy: -315.795893
where:
bonds (distance) C4'-P energy: -79.770
bonds (distance) P-C4' energy: -55.499
flat angles C4'-P-C4' energy: -69.399
flat angles P-C4'-P energy: -34.881
tors. eta vs tors. theta energy: -76.247
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: 6
=====================================
Write number: 345
Temperature: 1.250000
Total energy: -691.561885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -691.561885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -691.561885 (E_RNA)
where:
Base-Base interactions energy: -417.302
where: short stacking energy: -204.584
Base-Backbone interact. energy: 1.154
local terms energy: -275.413835
where:
bonds (distance) C4'-P energy: -54.331
bonds (distance) P-C4' energy: -78.205
flat angles C4'-P-C4' energy: -70.363
flat angles P-C4'-P energy: -34.625
tors. eta vs tors. theta energy: -37.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 345
Temperature: 1.300000
Total energy: -748.908419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -748.908419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -748.908419 (E_RNA)
where:
Base-Base interactions energy: -470.095
where: short stacking energy: -208.373
Base-Backbone interact. energy: -0.678
local terms energy: -278.135163
where:
bonds (distance) C4'-P energy: -66.770
bonds (distance) P-C4' energy: -74.311
flat angles C4'-P-C4' energy: -69.346
flat angles P-C4'-P energy: -30.513
tors. eta vs tors. theta energy: -37.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 345
Temperature: 1.350000
Total energy: -498.986600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.986600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.986600 (E_RNA)
where:
Base-Base interactions energy: -234.490
where: short stacking energy: -144.020
Base-Backbone interact. energy: 2.090
local terms energy: -266.586459
where:
bonds (distance) C4'-P energy: -59.703
bonds (distance) P-C4' energy: -78.634
flat angles C4'-P-C4' energy: -56.568
flat angles P-C4'-P energy: -46.686
tors. eta vs tors. theta energy: -24.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 346
Temperature: 0.900000
Total energy: -1350.649521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1350.649521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1350.649521 (E_RNA)
where:
Base-Base interactions energy: -924.443
where: short stacking energy: -393.916
Base-Backbone interact. energy: -2.483
local terms energy: -423.723851
where:
bonds (distance) C4'-P energy: -85.117
bonds (distance) P-C4' energy: -81.869
flat angles C4'-P-C4' energy: -80.955
flat angles P-C4'-P energy: -65.711
tors. eta vs tors. theta energy: -110.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 346
Temperature: 0.950000
Total energy: -1329.641217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1329.641217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1329.641217 (E_RNA)
where:
Base-Base interactions energy: -909.427
where: short stacking energy: -379.073
Base-Backbone interact. energy: -2.297
local terms energy: -417.916335
where:
bonds (distance) C4'-P energy: -82.483
bonds (distance) P-C4' energy: -80.550
flat angles C4'-P-C4' energy: -82.810
flat angles P-C4'-P energy: -54.378
tors. eta vs tors. theta energy: -117.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 346
Temperature: 1.000000
Total energy: -1333.244073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1333.244073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1333.244073 (E_RNA)
where:
Base-Base interactions energy: -939.090
where: short stacking energy: -360.560
Base-Backbone interact. energy: -2.483
local terms energy: -391.670335
where:
bonds (distance) C4'-P energy: -81.126
bonds (distance) P-C4' energy: -77.497
flat angles C4'-P-C4' energy: -74.656
flat angles P-C4'-P energy: -54.363
tors. eta vs tors. theta energy: -104.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 346
Temperature: 1.050000
Total energy: -1202.681519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1202.681519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1202.681519 (E_RNA)
where:
Base-Base interactions energy: -826.107
where: short stacking energy: -353.850
Base-Backbone interact. energy: -0.412
local terms energy: -376.162876
where:
bonds (distance) C4'-P energy: -74.453
bonds (distance) P-C4' energy: -81.338
flat angles C4'-P-C4' energy: -85.188
flat angles P-C4'-P energy: -45.412
tors. eta vs tors. theta energy: -89.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 346
Temperature: 1.100000
Total energy: -1122.029477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1122.029477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1122.029477 (E_RNA)
where:
Base-Base interactions energy: -776.475
where: short stacking energy: -329.036
Base-Backbone interact. energy: -1.796
local terms energy: -343.758425
where:
bonds (distance) C4'-P energy: -68.482
bonds (distance) P-C4' energy: -66.340
flat angles C4'-P-C4' energy: -87.213
flat angles P-C4'-P energy: -49.665
tors. eta vs tors. theta energy: -72.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 346
Temperature: 1.150000
Total energy: -1036.704213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1036.704213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1036.704213 (E_RNA)
where:
Base-Base interactions energy: -685.950
where: short stacking energy: -312.992
Base-Backbone interact. energy: -1.595
local terms energy: -349.159342
where:
bonds (distance) C4'-P energy: -64.705
bonds (distance) P-C4' energy: -72.086
flat angles C4'-P-C4' energy: -81.433
flat angles P-C4'-P energy: -53.766
tors. eta vs tors. theta energy: -77.169
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: 7, replica: 4
=====================================
Write number: 346
Temperature: 1.200000
Total energy: -1056.924097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1056.924097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1056.924097 (E_RNA)
where:
Base-Base interactions energy: -726.745
where: short stacking energy: -294.668
Base-Backbone interact. energy: -1.587
local terms energy: -328.592814
where:
bonds (distance) C4'-P energy: -74.208
bonds (distance) P-C4' energy: -77.020
flat angles C4'-P-C4' energy: -66.436
flat angles P-C4'-P energy: -36.149
tors. eta vs tors. theta energy: -74.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 346
Temperature: 1.250000
Total energy: -695.551846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -695.551846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -695.551846 (E_RNA)
where:
Base-Base interactions energy: -428.109
where: short stacking energy: -206.226
Base-Backbone interact. energy: 0.351
local terms energy: -267.794149
where:
bonds (distance) C4'-P energy: -62.628
bonds (distance) P-C4' energy: -64.093
flat angles C4'-P-C4' energy: -65.735
flat angles P-C4'-P energy: -40.551
tors. eta vs tors. theta energy: -34.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 346
Temperature: 1.300000
Total energy: -742.500547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -742.500547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -742.500547 (E_RNA)
where:
Base-Base interactions energy: -478.332
where: short stacking energy: -225.789
Base-Backbone interact. energy: -0.653
local terms energy: -263.515785
where:
bonds (distance) C4'-P energy: -67.722
bonds (distance) P-C4' energy: -61.499
flat angles C4'-P-C4' energy: -56.132
flat angles P-C4'-P energy: -32.777
tors. eta vs tors. theta energy: -45.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 346
Temperature: 1.350000
Total energy: -446.811172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.811172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.811172 (E_RNA)
where:
Base-Base interactions energy: -226.283
where: short stacking energy: -119.954
Base-Backbone interact. energy: -0.387
local terms energy: -220.141595
where:
bonds (distance) C4'-P energy: -66.576
bonds (distance) P-C4' energy: -65.446
flat angles C4'-P-C4' energy: -54.734
flat angles P-C4'-P energy: -32.348
tors. eta vs tors. theta energy: -1.037
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: 5
=====================================
Write number: 347
Temperature: 0.900000
Total energy: -1349.426440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1349.426440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1349.426440 (E_RNA)
where:
Base-Base interactions energy: -939.610
where: short stacking energy: -393.168
Base-Backbone interact. energy: -2.251
local terms energy: -407.564870
where:
bonds (distance) C4'-P energy: -68.392
bonds (distance) P-C4' energy: -78.331
flat angles C4'-P-C4' energy: -82.646
flat angles P-C4'-P energy: -58.934
tors. eta vs tors. theta energy: -119.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 347
Temperature: 0.950000
Total energy: -1311.743468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1311.743468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1311.743468 (E_RNA)
where:
Base-Base interactions energy: -907.145
where: short stacking energy: -373.960
Base-Backbone interact. energy: -0.189
local terms energy: -404.409546
where:
bonds (distance) C4'-P energy: -68.612
bonds (distance) P-C4' energy: -81.469
flat angles C4'-P-C4' energy: -80.251
flat angles P-C4'-P energy: -56.457
tors. eta vs tors. theta energy: -117.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 347
Temperature: 1.000000
Total energy: -1330.253566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1330.253566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1330.253566 (E_RNA)
where:
Base-Base interactions energy: -943.107
where: short stacking energy: -389.218
Base-Backbone interact. energy: -2.763
local terms energy: -384.383938
where:
bonds (distance) C4'-P energy: -66.026
bonds (distance) P-C4' energy: -79.227
flat angles C4'-P-C4' energy: -77.146
flat angles P-C4'-P energy: -53.587
tors. eta vs tors. theta energy: -108.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 347
Temperature: 1.050000
Total energy: -1209.268513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1209.268513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1209.268513 (E_RNA)
where:
Base-Base interactions energy: -815.359
where: short stacking energy: -363.654
Base-Backbone interact. energy: -0.606
local terms energy: -393.302874
where:
bonds (distance) C4'-P energy: -74.620
bonds (distance) P-C4' energy: -81.389
flat angles C4'-P-C4' energy: -87.939
flat angles P-C4'-P energy: -52.295
tors. eta vs tors. theta energy: -97.059
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: 10
=====================================
Write number: 347
Temperature: 1.100000
Total energy: -1116.329737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1116.329737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1116.329737 (E_RNA)
where:
Base-Base interactions energy: -752.325
where: short stacking energy: -313.138
Base-Backbone interact. energy: 0.875
local terms energy: -364.879667
where:
bonds (distance) C4'-P energy: -78.711
bonds (distance) P-C4' energy: -75.760
flat angles C4'-P-C4' energy: -76.235
flat angles P-C4'-P energy: -54.348
tors. eta vs tors. theta energy: -79.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 347
Temperature: 1.150000
Total energy: -1085.458542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1085.458542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1085.458542 (E_RNA)
where:
Base-Base interactions energy: -733.389
where: short stacking energy: -312.766
Base-Backbone interact. energy: -3.140
local terms energy: -348.928967
where:
bonds (distance) C4'-P energy: -69.859
bonds (distance) P-C4' energy: -80.062
flat angles C4'-P-C4' energy: -75.448
flat angles P-C4'-P energy: -48.263
tors. eta vs tors. theta energy: -75.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 347
Temperature: 1.200000
Total energy: -1017.149005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1017.149005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1017.149005 (E_RNA)
where:
Base-Base interactions energy: -696.859
where: short stacking energy: -310.261
Base-Backbone interact. energy: -0.839
local terms energy: -319.450785
where:
bonds (distance) C4'-P energy: -54.640
bonds (distance) P-C4' energy: -75.466
flat angles C4'-P-C4' energy: -67.503
flat angles P-C4'-P energy: -42.755
tors. eta vs tors. theta energy: -79.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 347
Temperature: 1.250000
Total energy: -766.941501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -766.941501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -766.941501 (E_RNA)
where:
Base-Base interactions energy: -471.137
where: short stacking energy: -210.715
Base-Backbone interact. energy: 0.666
local terms energy: -296.471104
where:
bonds (distance) C4'-P energy: -69.691
bonds (distance) P-C4' energy: -76.747
flat angles C4'-P-C4' energy: -69.906
flat angles P-C4'-P energy: -36.598
tors. eta vs tors. theta energy: -43.529
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: 6
=====================================
Write number: 347
Temperature: 1.300000
Total energy: -654.782478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -654.782478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -654.782478 (E_RNA)
where:
Base-Base interactions energy: -403.597
where: short stacking energy: -184.812
Base-Backbone interact. energy: 1.801
local terms energy: -252.985784
where:
bonds (distance) C4'-P energy: -68.572
bonds (distance) P-C4' energy: -65.897
flat angles C4'-P-C4' energy: -61.593
flat angles P-C4'-P energy: -35.100
tors. eta vs tors. theta energy: -21.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 347
Temperature: 1.350000
Total energy: -462.021330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.021330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.021330 (E_RNA)
where:
Base-Base interactions energy: -230.525
where: short stacking energy: -123.345
Base-Backbone interact. energy: 3.137
local terms energy: -234.632957
where:
bonds (distance) C4'-P energy: -61.181
bonds (distance) P-C4' energy: -72.312
flat angles C4'-P-C4' energy: -47.470
flat angles P-C4'-P energy: -35.241
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: 3
=====================================
Write number: 348
Temperature: 0.900000
Total energy: -1363.569692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1363.569692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1363.569692 (E_RNA)
where:
Base-Base interactions energy: -944.987
where: short stacking energy: -398.118
Base-Backbone interact. energy: -0.694
local terms energy: -417.889259
where:
bonds (distance) C4'-P energy: -72.691
bonds (distance) P-C4' energy: -76.917
flat angles C4'-P-C4' energy: -84.244
flat angles P-C4'-P energy: -63.423
tors. eta vs tors. theta energy: -120.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 348
Temperature: 0.950000
Total energy: -1340.152262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1340.152262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1340.152262 (E_RNA)
where:
Base-Base interactions energy: -940.677
where: short stacking energy: -381.079
Base-Backbone interact. energy: -2.116
local terms energy: -397.359329
where:
bonds (distance) C4'-P energy: -73.722
bonds (distance) P-C4' energy: -66.152
flat angles C4'-P-C4' energy: -89.462
flat angles P-C4'-P energy: -54.843
tors. eta vs tors. theta energy: -113.181
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: 7
=====================================
Write number: 348
Temperature: 1.000000
Total energy: -1332.846823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1332.846823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1332.846823 (E_RNA)
where:
Base-Base interactions energy: -951.988
where: short stacking energy: -396.253
Base-Backbone interact. energy: 0.590
local terms energy: -383.789884
where:
bonds (distance) C4'-P energy: -69.901
bonds (distance) P-C4' energy: -81.807
flat angles C4'-P-C4' energy: -71.526
flat angles P-C4'-P energy: -52.673
tors. eta vs tors. theta energy: -107.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 2.341 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 348
Temperature: 1.050000
Total energy: -1222.960886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1222.960886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1222.960886 (E_RNA)
where:
Base-Base interactions energy: -843.939
where: short stacking energy: -366.024
Base-Backbone interact. energy: -1.433
local terms energy: -377.588495
where:
bonds (distance) C4'-P energy: -63.787
bonds (distance) P-C4' energy: -73.815
flat angles C4'-P-C4' energy: -77.885
flat angles P-C4'-P energy: -58.178
tors. eta vs tors. theta energy: -103.924
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: 5, replica: 4
=====================================
Write number: 348
Temperature: 1.100000
Total energy: -1128.153233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1128.153233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1128.153233 (E_RNA)
where:
Base-Base interactions energy: -794.886
where: short stacking energy: -309.366
Base-Backbone interact. energy: -0.472
local terms energy: -332.795783
where:
bonds (distance) C4'-P energy: -60.233
bonds (distance) P-C4' energy: -67.063
flat angles C4'-P-C4' energy: -76.256
flat angles P-C4'-P energy: -52.167
tors. eta vs tors. theta energy: -77.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 348
Temperature: 1.150000
Total energy: -1037.111961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1037.111961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1037.111961 (E_RNA)
where:
Base-Base interactions energy: -734.179
where: short stacking energy: -308.213
Base-Backbone interact. energy: 4.592
local terms energy: -307.524187
where:
bonds (distance) C4'-P energy: -48.933
bonds (distance) P-C4' energy: -75.708
flat angles C4'-P-C4' energy: -67.327
flat angles P-C4'-P energy: -46.065
tors. eta vs tors. theta energy: -69.490
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: 1
=====================================
Write number: 348
Temperature: 1.200000
Total energy: -1020.550629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1020.550629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1020.550629 (E_RNA)
where:
Base-Base interactions energy: -682.463
where: short stacking energy: -305.021
Base-Backbone interact. energy: -1.347
local terms energy: -336.740885
where:
bonds (distance) C4'-P energy: -72.063
bonds (distance) P-C4' energy: -64.207
flat angles C4'-P-C4' energy: -79.185
flat angles P-C4'-P energy: -39.956
tors. eta vs tors. theta energy: -81.330
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: 8
=====================================
Write number: 348
Temperature: 1.250000
Total energy: -791.597136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -791.597136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -791.597136 (E_RNA)
where:
Base-Base interactions energy: -506.204
where: short stacking energy: -241.863
Base-Backbone interact. energy: 6.859
local terms energy: -292.251790
where:
bonds (distance) C4'-P energy: -73.004
bonds (distance) P-C4' energy: -73.854
flat angles C4'-P-C4' energy: -59.420
flat angles P-C4'-P energy: -31.612
tors. eta vs tors. theta energy: -54.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 348
Temperature: 1.300000
Total energy: -731.846646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -731.846646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -731.846646 (E_RNA)
where:
Base-Base interactions energy: -471.084
where: short stacking energy: -206.959
Base-Backbone interact. energy: -1.363
local terms energy: -259.399833
where:
bonds (distance) C4'-P energy: -49.338
bonds (distance) P-C4' energy: -54.046
flat angles C4'-P-C4' energy: -72.545
flat angles P-C4'-P energy: -40.945
tors. eta vs tors. theta energy: -42.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 348
Temperature: 1.350000
Total energy: -481.487855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.487855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.487855 (E_RNA)
where:
Base-Base interactions energy: -252.094
where: short stacking energy: -132.498
Base-Backbone interact. energy: -0.836
local terms energy: -228.557520
where:
bonds (distance) C4'-P energy: -51.557
bonds (distance) P-C4' energy: -59.508
flat angles C4'-P-C4' energy: -71.710
flat angles P-C4'-P energy: -28.751
tors. eta vs tors. theta energy: -17.031
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: 3
=====================================
Write number: 349
Temperature: 0.900000
Total energy: -1380.961058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1380.961058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1380.961058 (E_RNA)
where:
Base-Base interactions energy: -948.444
where: short stacking energy: -415.306
Base-Backbone interact. energy: -2.493
local terms energy: -430.024137
where:
bonds (distance) C4'-P energy: -76.182
bonds (distance) P-C4' energy: -78.225
flat angles C4'-P-C4' energy: -94.893
flat angles P-C4'-P energy: -58.903
tors. eta vs tors. theta energy: -121.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 349
Temperature: 0.950000
Total energy: -1364.918580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1364.918580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1364.918580 (E_RNA)
where:
Base-Base interactions energy: -976.051
where: short stacking energy: -386.313
Base-Backbone interact. energy: -0.671
local terms energy: -388.196959
where:
bonds (distance) C4'-P energy: -72.787
bonds (distance) P-C4' energy: -77.128
flat angles C4'-P-C4' energy: -77.783
flat angles P-C4'-P energy: -53.244
tors. eta vs tors. theta energy: -107.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 349
Temperature: 1.000000
Total energy: -1290.276355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1290.276355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1290.276355 (E_RNA)
where:
Base-Base interactions energy: -904.163
where: short stacking energy: -380.566
Base-Backbone interact. energy: -0.713
local terms energy: -385.399825
where:
bonds (distance) C4'-P energy: -69.356
bonds (distance) P-C4' energy: -72.584
flat angles C4'-P-C4' energy: -83.350
flat angles P-C4'-P energy: -52.898
tors. eta vs tors. theta energy: -107.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 349
Temperature: 1.050000
Total energy: -1213.717425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1213.717425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1213.717425 (E_RNA)
where:
Base-Base interactions energy: -817.848
where: short stacking energy: -362.057
Base-Backbone interact. energy: -3.262
local terms energy: -392.607918
where:
bonds (distance) C4'-P energy: -77.025
bonds (distance) P-C4' energy: -70.267
flat angles C4'-P-C4' energy: -86.378
flat angles P-C4'-P energy: -55.466
tors. eta vs tors. theta energy: -103.472
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: 5, replica: 4
=====================================
Write number: 349
Temperature: 1.100000
Total energy: -1156.978720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1156.978720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1156.978720 (E_RNA)
where:
Base-Base interactions energy: -791.630
where: short stacking energy: -318.262
Base-Backbone interact. energy: -2.676
local terms energy: -362.672756
where:
bonds (distance) C4'-P energy: -72.950
bonds (distance) P-C4' energy: -73.144
flat angles C4'-P-C4' energy: -77.913
flat angles P-C4'-P energy: -55.687
tors. eta vs tors. theta energy: -82.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 349
Temperature: 1.150000
Total energy: -1043.558269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1043.558269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1043.558269 (E_RNA)
where:
Base-Base interactions energy: -707.967
where: short stacking energy: -283.936
Base-Backbone interact. energy: 5.522
local terms energy: -341.113317
where:
bonds (distance) C4'-P energy: -60.865
bonds (distance) P-C4' energy: -66.905
flat angles C4'-P-C4' energy: -85.134
flat angles P-C4'-P energy: -51.622
tors. eta vs tors. theta energy: -76.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 349
Temperature: 1.200000
Total energy: -1038.234809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1038.234809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1038.234809 (E_RNA)
where:
Base-Base interactions energy: -679.696
where: short stacking energy: -325.447
Base-Backbone interact. energy: 0.240
local terms energy: -358.778840
where:
bonds (distance) C4'-P energy: -67.257
bonds (distance) P-C4' energy: -72.364
flat angles C4'-P-C4' energy: -77.654
flat angles P-C4'-P energy: -52.120
tors. eta vs tors. theta energy: -89.385
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: 8
=====================================
Write number: 349
Temperature: 1.250000
Total energy: -729.614105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -729.614105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -729.614105 (E_RNA)
where:
Base-Base interactions energy: -461.568
where: short stacking energy: -210.936
Base-Backbone interact. energy: 2.899
local terms energy: -270.945877
where:
bonds (distance) C4'-P energy: -52.573
bonds (distance) P-C4' energy: -79.390
flat angles C4'-P-C4' energy: -68.928
flat angles P-C4'-P energy: -30.109
tors. eta vs tors. theta energy: -39.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 349
Temperature: 1.300000
Total energy: -753.852014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -753.852014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -753.852014 (E_RNA)
where:
Base-Base interactions energy: -490.029
where: short stacking energy: -245.093
Base-Backbone interact. energy: 1.726
local terms energy: -265.549644
where:
bonds (distance) C4'-P energy: -51.162
bonds (distance) P-C4' energy: -70.600
flat angles C4'-P-C4' energy: -55.055
flat angles P-C4'-P energy: -41.390
tors. eta vs tors. theta energy: -47.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 349
Temperature: 1.350000
Total energy: -480.140379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.140379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.140379 (E_RNA)
where:
Base-Base interactions energy: -263.680
where: short stacking energy: -143.622
Base-Backbone interact. energy: 0.123
local terms energy: -216.583971
where:
bonds (distance) C4'-P energy: -59.731
bonds (distance) P-C4' energy: -59.951
flat angles C4'-P-C4' energy: -63.883
flat angles P-C4'-P energy: -35.574
tors. eta vs tors. theta energy: 2.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 350
Temperature: 0.900000
Total energy: -1366.437284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1366.437284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1366.437284 (E_RNA)
where:
Base-Base interactions energy: -927.312
where: short stacking energy: -413.782
Base-Backbone interact. energy: -0.590
local terms energy: -438.535776
where:
bonds (distance) C4'-P energy: -83.548
bonds (distance) P-C4' energy: -86.981
flat angles C4'-P-C4' energy: -87.114
flat angles P-C4'-P energy: -56.977
tors. eta vs tors. theta energy: -123.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 350
Temperature: 0.950000
Total energy: -1361.054738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1361.054738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1361.054738 (E_RNA)
where:
Base-Base interactions energy: -952.450
where: short stacking energy: -384.736
Base-Backbone interact. energy: -1.327
local terms energy: -407.277805
where:
bonds (distance) C4'-P energy: -76.148
bonds (distance) P-C4' energy: -85.427
flat angles C4'-P-C4' energy: -78.999
flat angles P-C4'-P energy: -57.190
tors. eta vs tors. theta energy: -109.514
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: 5
=====================================
Write number: 350
Temperature: 1.000000
Total energy: -1295.026392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1295.026392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1295.026392 (E_RNA)
where:
Base-Base interactions energy: -907.245
where: short stacking energy: -375.289
Base-Backbone interact. energy: -2.058
local terms energy: -385.723433
where:
bonds (distance) C4'-P energy: -75.284
bonds (distance) P-C4' energy: -68.618
flat angles C4'-P-C4' energy: -80.444
flat angles P-C4'-P energy: -54.526
tors. eta vs tors. theta energy: -106.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 350
Temperature: 1.050000
Total energy: -1189.246994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1189.246994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1189.246994 (E_RNA)
where:
Base-Base interactions energy: -811.891
where: short stacking energy: -347.948
Base-Backbone interact. energy: -1.923
local terms energy: -375.432759
where:
bonds (distance) C4'-P energy: -79.748
bonds (distance) P-C4' energy: -70.810
flat angles C4'-P-C4' energy: -79.228
flat angles P-C4'-P energy: -49.216
tors. eta vs tors. theta energy: -96.431
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: 4
=====================================
Write number: 350
Temperature: 1.100000
Total energy: -1144.714145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1144.714145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1144.714145 (E_RNA)
where:
Base-Base interactions energy: -784.652
where: short stacking energy: -329.062
Base-Backbone interact. energy: -2.967
local terms energy: -357.095930
where:
bonds (distance) C4'-P energy: -73.201
bonds (distance) P-C4' energy: -74.191
flat angles C4'-P-C4' energy: -81.993
flat angles P-C4'-P energy: -47.053
tors. eta vs tors. theta energy: -80.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 350
Temperature: 1.150000
Total energy: -1059.728413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1059.728413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1059.728413 (E_RNA)
where:
Base-Base interactions energy: -759.041
where: short stacking energy: -306.026
Base-Backbone interact. energy: 4.518
local terms energy: -305.206142
where:
bonds (distance) C4'-P energy: -55.079
bonds (distance) P-C4' energy: -73.553
flat angles C4'-P-C4' energy: -69.014
flat angles P-C4'-P energy: -37.502
tors. eta vs tors. theta energy: -70.058
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: 1
=====================================
Write number: 350
Temperature: 1.200000
Total energy: -997.804295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -997.804295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -997.804295 (E_RNA)
where:
Base-Base interactions energy: -666.738
where: short stacking energy: -317.722
Base-Backbone interact. energy: 0.974
local terms energy: -332.039615
where:
bonds (distance) C4'-P energy: -72.720
bonds (distance) P-C4' energy: -60.735
flat angles C4'-P-C4' energy: -68.854
flat angles P-C4'-P energy: -45.780
tors. eta vs tors. theta energy: -83.951
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: 8
=====================================
Write number: 350
Temperature: 1.250000
Total energy: -746.517276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -746.517276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -746.517276 (E_RNA)
where:
Base-Base interactions energy: -467.639
where: short stacking energy: -201.461
Base-Backbone interact. energy: -1.205
local terms energy: -277.673145
where:
bonds (distance) C4'-P energy: -71.235
bonds (distance) P-C4' energy: -62.190
flat angles C4'-P-C4' energy: -71.787
flat angles P-C4'-P energy: -33.478
tors. eta vs tors. theta energy: -38.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 350
Temperature: 1.300000
Total energy: -768.989965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -768.989965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -768.989965 (E_RNA)
where:
Base-Base interactions energy: -476.505
where: short stacking energy: -206.681
Base-Backbone interact. energy: -1.482
local terms energy: -291.002703
where:
bonds (distance) C4'-P energy: -66.564
bonds (distance) P-C4' energy: -67.635
flat angles C4'-P-C4' energy: -69.852
flat angles P-C4'-P energy: -45.179
tors. eta vs tors. theta energy: -41.773
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: 10, replica: 2
=====================================
Write number: 350
Temperature: 1.350000
Total energy: -452.005968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.005968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.005968 (E_RNA)
where:
Base-Base interactions energy: -257.000
where: short stacking energy: -130.629
Base-Backbone interact. energy: -3.101
local terms energy: -191.905107
where:
bonds (distance) C4'-P energy: -51.972
bonds (distance) P-C4' energy: -61.315
flat angles C4'-P-C4' energy: -51.635
flat angles P-C4'-P energy: -26.032
tors. eta vs tors. theta energy: -0.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 351
Temperature: 0.900000
Total energy: -1368.425374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1368.425374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1368.425374 (E_RNA)
where:
Base-Base interactions energy: -945.000
where: short stacking energy: -417.220
Base-Backbone interact. energy: -1.395
local terms energy: -422.030144
where:
bonds (distance) C4'-P energy: -73.641
bonds (distance) P-C4' energy: -80.296
flat angles C4'-P-C4' energy: -90.290
flat angles P-C4'-P energy: -56.593
tors. eta vs tors. theta energy: -121.210
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: 351
Temperature: 0.950000
Total energy: -1345.588698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1345.588698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1345.588698 (E_RNA)
where:
Base-Base interactions energy: -948.912
where: short stacking energy: -378.726
Base-Backbone interact. energy: -3.475
local terms energy: -393.202017
where:
bonds (distance) C4'-P energy: -77.745
bonds (distance) P-C4' energy: -78.705
flat angles C4'-P-C4' energy: -84.198
flat angles P-C4'-P energy: -54.149
tors. eta vs tors. theta energy: -98.405
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: 5
=====================================
Write number: 351
Temperature: 1.000000
Total energy: -1297.755869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1297.755869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1297.755869 (E_RNA)
where:
Base-Base interactions energy: -880.801
where: short stacking energy: -390.041
Base-Backbone interact. energy: -3.750
local terms energy: -413.873464
where:
bonds (distance) C4'-P energy: -80.490
bonds (distance) P-C4' energy: -83.187
flat angles C4'-P-C4' energy: -86.527
flat angles P-C4'-P energy: -56.089
tors. eta vs tors. theta energy: -107.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.669 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 351
Temperature: 1.050000
Total energy: -1165.824571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1165.824571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1165.824571 (E_RNA)
where:
Base-Base interactions energy: -813.971
where: short stacking energy: -345.234
Base-Backbone interact. energy: -2.014
local terms energy: -349.839276
where:
bonds (distance) C4'-P energy: -62.490
bonds (distance) P-C4' energy: -65.966
flat angles C4'-P-C4' energy: -74.528
flat angles P-C4'-P energy: -52.126
tors. eta vs tors. theta energy: -94.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 351
Temperature: 1.100000
Total energy: -1186.049283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1186.049283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1186.049283 (E_RNA)
where:
Base-Base interactions energy: -821.022
where: short stacking energy: -349.562
Base-Backbone interact. energy: 2.049
local terms energy: -367.076606
where:
bonds (distance) C4'-P energy: -53.158
bonds (distance) P-C4' energy: -77.198
flat angles C4'-P-C4' energy: -82.305
flat angles P-C4'-P energy: -48.304
tors. eta vs tors. theta energy: -106.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 351
Temperature: 1.150000
Total energy: -1085.249579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1085.249579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1085.249579 (E_RNA)
where:
Base-Base interactions energy: -741.959
where: short stacking energy: -300.643
Base-Backbone interact. energy: 1.553
local terms energy: -344.842827
where:
bonds (distance) C4'-P energy: -69.876
bonds (distance) P-C4' energy: -73.150
flat angles C4'-P-C4' energy: -72.712
flat angles P-C4'-P energy: -43.239
tors. eta vs tors. theta energy: -85.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 351
Temperature: 1.200000
Total energy: -1018.512668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1018.512668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1018.512668 (E_RNA)
where:
Base-Base interactions energy: -688.944
where: short stacking energy: -302.310
Base-Backbone interact. energy: -2.117
local terms energy: -327.451622
where:
bonds (distance) C4'-P energy: -68.066
bonds (distance) P-C4' energy: -67.120
flat angles C4'-P-C4' energy: -55.852
flat angles P-C4'-P energy: -47.918
tors. eta vs tors. theta energy: -88.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 351
Temperature: 1.250000
Total energy: -782.971045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -782.971045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -782.971045 (E_RNA)
where:
Base-Base interactions energy: -517.609
where: short stacking energy: -232.990
Base-Backbone interact. energy: -1.301
local terms energy: -264.060749
where:
bonds (distance) C4'-P energy: -53.998
bonds (distance) P-C4' energy: -50.179
flat angles C4'-P-C4' energy: -71.509
flat angles P-C4'-P energy: -35.828
tors. eta vs tors. theta energy: -52.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 351
Temperature: 1.300000
Total energy: -707.948521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -707.948521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -707.948521 (E_RNA)
where:
Base-Base interactions energy: -420.102
where: short stacking energy: -186.237
Base-Backbone interact. energy: -2.416
local terms energy: -285.430112
where:
bonds (distance) C4'-P energy: -67.668
bonds (distance) P-C4' energy: -71.048
flat angles C4'-P-C4' energy: -66.205
flat angles P-C4'-P energy: -50.439
tors. eta vs tors. theta energy: -30.071
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: 2
=====================================
Write number: 351
Temperature: 1.350000
Total energy: -455.984888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.984888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.984888 (E_RNA)
where:
Base-Base interactions energy: -257.952
where: short stacking energy: -147.640
Base-Backbone interact. energy: -1.345
local terms energy: -196.688028
where:
bonds (distance) C4'-P energy: -48.627
bonds (distance) P-C4' energy: -58.466
flat angles C4'-P-C4' energy: -61.216
flat angles P-C4'-P energy: -25.757
tors. eta vs tors. theta energy: -2.622
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: 352
Temperature: 0.900000
Total energy: -1379.678335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1379.678335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1379.678335 (E_RNA)
where:
Base-Base interactions energy: -977.626
where: short stacking energy: -386.543
Base-Backbone interact. energy: -3.707
local terms energy: -398.345376
where:
bonds (distance) C4'-P energy: -75.986
bonds (distance) P-C4' energy: -73.163
flat angles C4'-P-C4' energy: -83.972
flat angles P-C4'-P energy: -59.361
tors. eta vs tors. theta energy: -105.864
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: 352
Temperature: 0.950000
Total energy: -1353.568068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1353.568068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1353.568068 (E_RNA)
where:
Base-Base interactions energy: -938.379
where: short stacking energy: -406.262
Base-Backbone interact. energy: -1.278
local terms energy: -413.911264
where:
bonds (distance) C4'-P energy: -76.613
bonds (distance) P-C4' energy: -72.860
flat angles C4'-P-C4' energy: -87.163
flat angles P-C4'-P energy: -59.449
tors. eta vs tors. theta energy: -117.826
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: 5
=====================================
Write number: 352
Temperature: 1.000000
Total energy: -1286.965456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1286.965456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1286.965456 (E_RNA)
where:
Base-Base interactions energy: -899.524
where: short stacking energy: -384.908
Base-Backbone interact. energy: 0.535
local terms energy: -387.976139
where:
bonds (distance) C4'-P energy: -73.407
bonds (distance) P-C4' energy: -76.571
flat angles C4'-P-C4' energy: -76.428
flat angles P-C4'-P energy: -54.668
tors. eta vs tors. theta energy: -106.902
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: 4
=====================================
Write number: 352
Temperature: 1.050000
Total energy: -1158.881957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1158.881957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1158.881957 (E_RNA)
where:
Base-Base interactions energy: -813.758
where: short stacking energy: -343.099
Base-Backbone interact. energy: -2.454
local terms energy: -342.670406
where:
bonds (distance) C4'-P energy: -61.025
bonds (distance) P-C4' energy: -61.775
flat angles C4'-P-C4' energy: -74.550
flat angles P-C4'-P energy: -51.167
tors. eta vs tors. theta energy: -94.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 352
Temperature: 1.100000
Total energy: -1148.563569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1148.563569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1148.563569 (E_RNA)
where:
Base-Base interactions energy: -796.604
where: short stacking energy: -355.164
Base-Backbone interact. energy: 7.953
local terms energy: -359.912204
where:
bonds (distance) C4'-P energy: -59.894
bonds (distance) P-C4' energy: -73.570
flat angles C4'-P-C4' energy: -77.530
flat angles P-C4'-P energy: -59.970
tors. eta vs tors. theta energy: -88.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 352
Temperature: 1.150000
Total energy: -1104.286511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1104.286511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1104.286511 (E_RNA)
where:
Base-Base interactions energy: -755.737
where: short stacking energy: -323.966
Base-Backbone interact. energy: -1.590
local terms energy: -346.959981
where:
bonds (distance) C4'-P energy: -76.493
bonds (distance) P-C4' energy: -63.248
flat angles C4'-P-C4' energy: -75.655
flat angles P-C4'-P energy: -44.146
tors. eta vs tors. theta energy: -87.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 352
Temperature: 1.200000
Total energy: -972.708594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -972.708594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -972.708594 (E_RNA)
where:
Base-Base interactions energy: -660.153
where: short stacking energy: -300.766
Base-Backbone interact. energy: 1.276
local terms energy: -313.832175
where:
bonds (distance) C4'-P energy: -73.679
bonds (distance) P-C4' energy: -71.534
flat angles C4'-P-C4' energy: -61.606
flat angles P-C4'-P energy: -35.626
tors. eta vs tors. theta energy: -71.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 352
Temperature: 1.250000
Total energy: -761.808316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -761.808316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -761.808316 (E_RNA)
where:
Base-Base interactions energy: -477.804
where: short stacking energy: -228.693
Base-Backbone interact. energy: -0.608
local terms energy: -283.396903
where:
bonds (distance) C4'-P energy: -70.313
bonds (distance) P-C4' energy: -59.715
flat angles C4'-P-C4' energy: -63.884
flat angles P-C4'-P energy: -42.043
tors. eta vs tors. theta energy: -47.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 352
Temperature: 1.300000
Total energy: -695.813943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -695.813943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -695.813943 (E_RNA)
where:
Base-Base interactions energy: -434.729
where: short stacking energy: -194.772
Base-Backbone interact. energy: -2.049
local terms energy: -259.035556
where:
bonds (distance) C4'-P energy: -65.183
bonds (distance) P-C4' energy: -61.735
flat angles C4'-P-C4' energy: -52.326
flat angles P-C4'-P energy: -40.100
tors. eta vs tors. theta energy: -39.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 352
Temperature: 1.350000
Total energy: -432.822575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -432.822575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.822575 (E_RNA)
where:
Base-Base interactions energy: -224.337
where: short stacking energy: -143.206
Base-Backbone interact. energy: -0.535
local terms energy: -207.950347
where:
bonds (distance) C4'-P energy: -60.960
bonds (distance) P-C4' energy: -47.025
flat angles C4'-P-C4' energy: -54.082
flat angles P-C4'-P energy: -37.369
tors. eta vs tors. theta energy: -8.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 353
Temperature: 0.900000
Total energy: -1396.005180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1396.005180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1396.005180 (E_RNA)
where:
Base-Base interactions energy: -991.223
where: short stacking energy: -381.286
Base-Backbone interact. energy: -2.214
local terms energy: -402.567902
where:
bonds (distance) C4'-P energy: -81.919
bonds (distance) P-C4' energy: -83.103
flat angles C4'-P-C4' energy: -83.240
flat angles P-C4'-P energy: -54.795
tors. eta vs tors. theta energy: -99.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 353
Temperature: 0.950000
Total energy: -1338.754823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1338.754823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1338.754823 (E_RNA)
where:
Base-Base interactions energy: -946.730
where: short stacking energy: -411.403
Base-Backbone interact. energy: -2.176
local terms energy: -389.849260
where:
bonds (distance) C4'-P energy: -68.230
bonds (distance) P-C4' energy: -57.156
flat angles C4'-P-C4' energy: -84.633
flat angles P-C4'-P energy: -60.189
tors. eta vs tors. theta energy: -119.641
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: 353
Temperature: 1.000000
Total energy: -1303.524391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1303.524391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1303.524391 (E_RNA)
where:
Base-Base interactions energy: -929.007
where: short stacking energy: -386.059
Base-Backbone interact. energy: -1.558
local terms energy: -372.959516
where:
bonds (distance) C4'-P energy: -77.114
bonds (distance) P-C4' energy: -71.386
flat angles C4'-P-C4' energy: -73.110
flat angles P-C4'-P energy: -48.423
tors. eta vs tors. theta energy: -102.926
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: 4, replica: 4
=====================================
Write number: 353
Temperature: 1.050000
Total energy: -1215.965492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1215.965492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1215.965492 (E_RNA)
where:
Base-Base interactions energy: -836.013
where: short stacking energy: -346.397
Base-Backbone interact. energy: -1.441
local terms energy: -378.511077
where:
bonds (distance) C4'-P energy: -67.268
bonds (distance) P-C4' energy: -74.763
flat angles C4'-P-C4' energy: -81.017
flat angles P-C4'-P energy: -57.936
tors. eta vs tors. theta energy: -97.527
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: 5, replica: 9
=====================================
Write number: 353
Temperature: 1.100000
Total energy: -1134.356862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1134.356862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1134.356862 (E_RNA)
where:
Base-Base interactions energy: -770.626
where: short stacking energy: -323.212
Base-Backbone interact. energy: -1.480
local terms energy: -362.250121
where:
bonds (distance) C4'-P energy: -63.509
bonds (distance) P-C4' energy: -79.591
flat angles C4'-P-C4' energy: -80.320
flat angles P-C4'-P energy: -47.115
tors. eta vs tors. theta energy: -91.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 353
Temperature: 1.150000
Total energy: -1075.033367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1075.033367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1075.033367 (E_RNA)
where:
Base-Base interactions energy: -724.420
where: short stacking energy: -312.676
Base-Backbone interact. energy: -1.429
local terms energy: -349.184569
where:
bonds (distance) C4'-P energy: -71.487
bonds (distance) P-C4' energy: -79.088
flat angles C4'-P-C4' energy: -71.666
flat angles P-C4'-P energy: -42.803
tors. eta vs tors. theta energy: -84.141
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: 7, replica: 1
=====================================
Write number: 353
Temperature: 1.200000
Total energy: -1005.776374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1005.776374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1005.776374 (E_RNA)
where:
Base-Base interactions energy: -641.512
where: short stacking energy: -308.676
Base-Backbone interact. energy: -0.033
local terms energy: -364.231233
where:
bonds (distance) C4'-P energy: -66.252
bonds (distance) P-C4' energy: -73.247
flat angles C4'-P-C4' energy: -76.525
flat angles P-C4'-P energy: -53.649
tors. eta vs tors. theta energy: -94.559
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: 8, replica: 8
=====================================
Write number: 353
Temperature: 1.250000
Total energy: -766.129160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -766.129160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -766.129160 (E_RNA)
where:
Base-Base interactions energy: -473.321
where: short stacking energy: -233.637
Base-Backbone interact. energy: -0.955
local terms energy: -291.853296
where:
bonds (distance) C4'-P energy: -60.995
bonds (distance) P-C4' energy: -76.430
flat angles C4'-P-C4' energy: -61.562
flat angles P-C4'-P energy: -42.119
tors. eta vs tors. theta energy: -50.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 353
Temperature: 1.300000
Total energy: -760.664051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -760.664051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -760.664051 (E_RNA)
where:
Base-Base interactions energy: -480.799
where: short stacking energy: -231.236
Base-Backbone interact. energy: -1.462
local terms energy: -278.402899
where:
bonds (distance) C4'-P energy: -48.987
bonds (distance) P-C4' energy: -65.139
flat angles C4'-P-C4' energy: -66.988
flat angles P-C4'-P energy: -46.876
tors. eta vs tors. theta energy: -50.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 353
Temperature: 1.350000
Total energy: -452.438033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.438033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.438033 (E_RNA)
where:
Base-Base interactions energy: -244.304
where: short stacking energy: -150.397
Base-Backbone interact. energy: -1.229
local terms energy: -206.905610
where:
bonds (distance) C4'-P energy: -50.947
bonds (distance) P-C4' energy: -67.396
flat angles C4'-P-C4' energy: -58.293
flat angles P-C4'-P energy: -26.588
tors. eta vs tors. theta energy: -3.681
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: 7
=====================================
Write number: 354
Temperature: 0.900000
Total energy: -1382.566424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1382.566424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1382.566424 (E_RNA)
where:
Base-Base interactions energy: -974.591
where: short stacking energy: -391.145
Base-Backbone interact. energy: -0.398
local terms energy: -407.578210
where:
bonds (distance) C4'-P energy: -86.349
bonds (distance) P-C4' energy: -78.287
flat angles C4'-P-C4' energy: -79.275
flat angles P-C4'-P energy: -59.039
tors. eta vs tors. theta energy: -104.628
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: 3
=====================================
Write number: 354
Temperature: 0.950000
Total energy: -1341.593882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1341.593882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1341.593882 (E_RNA)
where:
Base-Base interactions energy: -927.112
where: short stacking energy: -407.425
Base-Backbone interact. energy: -2.135
local terms energy: -412.346636
where:
bonds (distance) C4'-P energy: -72.252
bonds (distance) P-C4' energy: -80.489
flat angles C4'-P-C4' energy: -78.438
flat angles P-C4'-P energy: -60.138
tors. eta vs tors. theta energy: -121.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 354
Temperature: 1.000000
Total energy: -1290.913351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1290.913351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1290.913351 (E_RNA)
where:
Base-Base interactions energy: -900.091
where: short stacking energy: -373.092
Base-Backbone interact. energy: -1.493
local terms energy: -389.330166
where:
bonds (distance) C4'-P energy: -78.625
bonds (distance) P-C4' energy: -70.275
flat angles C4'-P-C4' energy: -81.411
flat angles P-C4'-P energy: -54.121
tors. eta vs tors. theta energy: -104.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 354
Temperature: 1.050000
Total energy: -1225.672697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1225.672697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1225.672697 (E_RNA)
where:
Base-Base interactions energy: -830.606
where: short stacking energy: -346.181
Base-Backbone interact. energy: -1.894
local terms energy: -393.172249
where:
bonds (distance) C4'-P energy: -79.361
bonds (distance) P-C4' energy: -77.658
flat angles C4'-P-C4' energy: -88.152
flat angles P-C4'-P energy: -54.567
tors. eta vs tors. theta energy: -93.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 354
Temperature: 1.100000
Total energy: -1172.361341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1172.361341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1172.361341 (E_RNA)
where:
Base-Base interactions energy: -805.877
where: short stacking energy: -336.232
Base-Backbone interact. energy: -0.358
local terms energy: -366.126409
where:
bonds (distance) C4'-P energy: -77.618
bonds (distance) P-C4' energy: -74.859
flat angles C4'-P-C4' energy: -78.939
flat angles P-C4'-P energy: -46.856
tors. eta vs tors. theta energy: -87.855
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: 10
=====================================
Write number: 354
Temperature: 1.150000
Total energy: -1091.257580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1091.257580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1091.257580 (E_RNA)
where:
Base-Base interactions energy: -764.332
where: short stacking energy: -315.060
Base-Backbone interact. energy: 0.088
local terms energy: -327.013619
where:
bonds (distance) C4'-P energy: -51.033
bonds (distance) P-C4' energy: -72.539
flat angles C4'-P-C4' energy: -69.653
flat angles P-C4'-P energy: -57.445
tors. eta vs tors. theta energy: -76.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 354
Temperature: 1.200000
Total energy: -949.330349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -949.330349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -949.330349 (E_RNA)
where:
Base-Base interactions energy: -646.128
where: short stacking energy: -297.231
Base-Backbone interact. energy: -1.187
local terms energy: -302.015647
where:
bonds (distance) C4'-P energy: -49.948
bonds (distance) P-C4' energy: -64.687
flat angles C4'-P-C4' energy: -71.635
flat angles P-C4'-P energy: -47.631
tors. eta vs tors. theta energy: -68.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 354
Temperature: 1.250000
Total energy: -812.555082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -812.555082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -812.555082 (E_RNA)
where:
Base-Base interactions energy: -520.145
where: short stacking energy: -231.292
Base-Backbone interact. energy: -2.595
local terms energy: -289.815600
where:
bonds (distance) C4'-P energy: -59.890
bonds (distance) P-C4' energy: -62.377
flat angles C4'-P-C4' energy: -62.005
flat angles P-C4'-P energy: -51.146
tors. eta vs tors. theta energy: -54.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 354
Temperature: 1.300000
Total energy: -730.294519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -730.294519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -730.294519 (E_RNA)
where:
Base-Base interactions energy: -469.644
where: short stacking energy: -214.087
Base-Backbone interact. energy: 8.128
local terms energy: -268.778917
where:
bonds (distance) C4'-P energy: -59.161
bonds (distance) P-C4' energy: -69.766
flat angles C4'-P-C4' energy: -60.643
flat angles P-C4'-P energy: -35.087
tors. eta vs tors. theta energy: -44.122
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: 2
=====================================
Write number: 354
Temperature: 1.350000
Total energy: -404.649588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.649588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.649588 (E_RNA)
where:
Base-Base interactions energy: -199.876
where: short stacking energy: -111.106
Base-Backbone interact. energy: 1.437
local terms energy: -206.210726
where:
bonds (distance) C4'-P energy: -57.091
bonds (distance) P-C4' energy: -57.406
flat angles C4'-P-C4' energy: -46.714
flat angles P-C4'-P energy: -46.031
tors. eta vs tors. theta energy: 1.031
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: 7
=====================================
Write number: 355
Temperature: 0.900000
Total energy: -1364.595782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1364.595782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1364.595782 (E_RNA)
where:
Base-Base interactions energy: -962.739
where: short stacking energy: -410.547
Base-Backbone interact. energy: -2.083
local terms energy: -399.773307
where:
bonds (distance) C4'-P energy: -71.347
bonds (distance) P-C4' energy: -79.710
flat angles C4'-P-C4' energy: -92.357
flat angles P-C4'-P energy: -57.210
tors. eta vs tors. theta energy: -99.150
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: 2, replica: 3
=====================================
Write number: 355
Temperature: 0.950000
Total energy: -1341.636608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1341.636608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1341.636608 (E_RNA)
where:
Base-Base interactions energy: -925.868
where: short stacking energy: -409.103
Base-Backbone interact. energy: -1.555
local terms energy: -414.213310
where:
bonds (distance) C4'-P energy: -71.966
bonds (distance) P-C4' energy: -74.452
flat angles C4'-P-C4' energy: -90.428
flat angles P-C4'-P energy: -57.325
tors. eta vs tors. theta energy: -120.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 355
Temperature: 1.000000
Total energy: -1276.193535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1276.193535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1276.193535 (E_RNA)
where:
Base-Base interactions energy: -879.885
where: short stacking energy: -369.997
Base-Backbone interact. energy: -2.075
local terms energy: -394.233736
where:
bonds (distance) C4'-P energy: -75.121
bonds (distance) P-C4' energy: -73.859
flat angles C4'-P-C4' energy: -84.938
flat angles P-C4'-P energy: -54.307
tors. eta vs tors. theta energy: -106.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 355
Temperature: 1.050000
Total energy: -1217.052546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1217.052546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1217.052546 (E_RNA)
where:
Base-Base interactions energy: -843.528
where: short stacking energy: -336.913
Base-Backbone interact. energy: -4.256
local terms energy: -369.268672
where:
bonds (distance) C4'-P energy: -68.451
bonds (distance) P-C4' energy: -75.781
flat angles C4'-P-C4' energy: -82.297
flat angles P-C4'-P energy: -54.778
tors. eta vs tors. theta energy: -87.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 355
Temperature: 1.100000
Total energy: -1161.652195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1161.652195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1161.652195 (E_RNA)
where:
Base-Base interactions energy: -820.744
where: short stacking energy: -340.714
Base-Backbone interact. energy: -0.765
local terms energy: -340.143504
where:
bonds (distance) C4'-P energy: -58.078
bonds (distance) P-C4' energy: -73.412
flat angles C4'-P-C4' energy: -74.504
flat angles P-C4'-P energy: -42.879
tors. eta vs tors. theta energy: -91.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 355
Temperature: 1.150000
Total energy: -1064.176930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1064.176930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1064.176930 (E_RNA)
where:
Base-Base interactions energy: -741.661
where: short stacking energy: -302.680
Base-Backbone interact. energy: 3.997
local terms energy: -326.512462
where:
bonds (distance) C4'-P energy: -56.037
bonds (distance) P-C4' energy: -82.395
flat angles C4'-P-C4' energy: -76.839
flat angles P-C4'-P energy: -36.898
tors. eta vs tors. theta energy: -74.343
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: 355
Temperature: 1.200000
Total energy: -947.123915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -947.123915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -947.123915 (E_RNA)
where:
Base-Base interactions energy: -623.999
where: short stacking energy: -277.836
Base-Backbone interact. energy: 3.102
local terms energy: -326.359603
where:
bonds (distance) C4'-P energy: -62.535
bonds (distance) P-C4' energy: -76.448
flat angles C4'-P-C4' energy: -62.764
flat angles P-C4'-P energy: -58.165
tors. eta vs tors. theta energy: -66.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.132 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 355
Temperature: 1.250000
Total energy: -794.330052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -794.330052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -794.330052 (E_RNA)
where:
Base-Base interactions energy: -499.949
where: short stacking energy: -219.798
Base-Backbone interact. energy: 2.492
local terms energy: -296.873287
where:
bonds (distance) C4'-P energy: -72.101
bonds (distance) P-C4' energy: -67.401
flat angles C4'-P-C4' energy: -73.818
flat angles P-C4'-P energy: -38.121
tors. eta vs tors. theta energy: -45.432
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: 6
=====================================
Write number: 355
Temperature: 1.300000
Total energy: -653.577687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -653.577687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -653.577687 (E_RNA)
where:
Base-Base interactions energy: -399.911
where: short stacking energy: -194.451
Base-Backbone interact. energy: 5.363
local terms energy: -259.029872
where:
bonds (distance) C4'-P energy: -55.704
bonds (distance) P-C4' energy: -69.703
flat angles C4'-P-C4' energy: -61.055
flat angles P-C4'-P energy: -46.114
tors. eta vs tors. theta energy: -26.454
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: 355
Temperature: 1.350000
Total energy: -406.109737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.109737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.109737 (E_RNA)
where:
Base-Base interactions energy: -190.559
where: short stacking energy: -131.210
Base-Backbone interact. energy: 6.381
local terms energy: -221.931145
where:
bonds (distance) C4'-P energy: -55.443
bonds (distance) P-C4' energy: -64.196
flat angles C4'-P-C4' energy: -55.571
flat angles P-C4'-P energy: -38.814
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: 1, replica: 7
=====================================
Write number: 356
Temperature: 0.900000
Total energy: -1369.813304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1369.813304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1369.813304 (E_RNA)
where:
Base-Base interactions energy: -961.939
where: short stacking energy: -371.180
Base-Backbone interact. energy: -2.456
local terms energy: -405.418156
where:
bonds (distance) C4'-P energy: -70.753
bonds (distance) P-C4' energy: -82.037
flat angles C4'-P-C4' energy: -88.737
flat angles P-C4'-P energy: -58.532
tors. eta vs tors. theta energy: -105.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 356
Temperature: 0.950000
Total energy: -1345.731359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1345.731359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1345.731359 (E_RNA)
where:
Base-Base interactions energy: -920.267
where: short stacking energy: -388.904
Base-Backbone interact. energy: -0.942
local terms energy: -424.522468
where:
bonds (distance) C4'-P energy: -81.803
bonds (distance) P-C4' energy: -80.770
flat angles C4'-P-C4' energy: -85.949
flat angles P-C4'-P energy: -58.357
tors. eta vs tors. theta energy: -117.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 356
Temperature: 1.000000
Total energy: -1276.587535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1276.587535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1276.587535 (E_RNA)
where:
Base-Base interactions energy: -864.510
where: short stacking energy: -376.187
Base-Backbone interact. energy: -0.997
local terms energy: -411.080320
where:
bonds (distance) C4'-P energy: -84.932
bonds (distance) P-C4' energy: -75.910
flat angles C4'-P-C4' energy: -81.335
flat angles P-C4'-P energy: -52.856
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: 4, replica: 4
=====================================
Write number: 356
Temperature: 1.050000
Total energy: -1232.373454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1232.373454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1232.373454 (E_RNA)
where:
Base-Base interactions energy: -856.760
where: short stacking energy: -351.684
Base-Backbone interact. energy: -4.324
local terms energy: -371.289006
where:
bonds (distance) C4'-P energy: -65.484
bonds (distance) P-C4' energy: -71.212
flat angles C4'-P-C4' energy: -80.608
flat angles P-C4'-P energy: -59.124
tors. eta vs tors. theta energy: -94.862
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: 9
=====================================
Write number: 356
Temperature: 1.100000
Total energy: -1176.668121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1176.668121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1176.668121 (E_RNA)
where:
Base-Base interactions energy: -811.632
where: short stacking energy: -349.469
Base-Backbone interact. energy: -1.091
local terms energy: -363.945239
where:
bonds (distance) C4'-P energy: -74.803
bonds (distance) P-C4' energy: -70.412
flat angles C4'-P-C4' energy: -77.001
flat angles P-C4'-P energy: -47.469
tors. eta vs tors. theta energy: -94.260
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: 6, replica: 10
=====================================
Write number: 356
Temperature: 1.150000
Total energy: -1089.953044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1089.953044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1089.953044 (E_RNA)
where:
Base-Base interactions energy: -752.456
where: short stacking energy: -311.345
Base-Backbone interact. energy: -1.787
local terms energy: -335.710128
where:
bonds (distance) C4'-P energy: -74.682
bonds (distance) P-C4' energy: -70.348
flat angles C4'-P-C4' energy: -76.527
flat angles P-C4'-P energy: -37.006
tors. eta vs tors. theta energy: -77.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 356
Temperature: 1.200000
Total energy: -934.133690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -934.133690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -934.133690 (E_RNA)
where:
Base-Base interactions energy: -619.508
where: short stacking energy: -271.167
Base-Backbone interact. energy: -0.318
local terms energy: -314.308298
where:
bonds (distance) C4'-P energy: -63.913
bonds (distance) P-C4' energy: -69.112
flat angles C4'-P-C4' energy: -67.634
flat angles P-C4'-P energy: -43.558
tors. eta vs tors. theta energy: -70.091
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: 8
=====================================
Write number: 356
Temperature: 1.250000
Total energy: -782.874788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -782.874788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -782.874788 (E_RNA)
where:
Base-Base interactions energy: -484.736
where: short stacking energy: -224.261
Base-Backbone interact. energy: -1.482
local terms energy: -296.656202
where:
bonds (distance) C4'-P energy: -74.868
bonds (distance) P-C4' energy: -52.302
flat angles C4'-P-C4' energy: -74.983
flat angles P-C4'-P energy: -50.330
tors. eta vs tors. theta energy: -44.172
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: 9, replica: 6
=====================================
Write number: 356
Temperature: 1.300000
Total energy: -691.752899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -691.752899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -691.752899 (E_RNA)
where:
Base-Base interactions energy: -417.802
where: short stacking energy: -188.222
Base-Backbone interact. energy: -3.510
local terms energy: -270.441322
where:
bonds (distance) C4'-P energy: -57.819
bonds (distance) P-C4' energy: -74.163
flat angles C4'-P-C4' energy: -68.645
flat angles P-C4'-P energy: -36.662
tors. eta vs tors. theta energy: -33.153
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: 2
=====================================
Write number: 356
Temperature: 1.350000
Total energy: -351.661797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.661797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.661797 (E_RNA)
where:
Base-Base interactions energy: -139.779
where: short stacking energy: -88.807
Base-Backbone interact. energy: 3.808
local terms energy: -215.690916
where:
bonds (distance) C4'-P energy: -61.501
bonds (distance) P-C4' energy: -67.268
flat angles C4'-P-C4' energy: -47.645
flat angles P-C4'-P energy: -33.925
tors. eta vs tors. theta energy: -5.352
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: 1, replica: 7
=====================================
Write number: 357
Temperature: 0.900000
Total energy: -1377.800246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1377.800246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1377.800246 (E_RNA)
where:
Base-Base interactions energy: -980.907
where: short stacking energy: -377.078
Base-Backbone interact. energy: 0.053
local terms energy: -396.946651
where:
bonds (distance) C4'-P energy: -70.022
bonds (distance) P-C4' energy: -78.796
flat angles C4'-P-C4' energy: -80.217
flat angles P-C4'-P energy: -62.592
tors. eta vs tors. theta energy: -105.320
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: 3
=====================================
Write number: 357
Temperature: 0.950000
Total energy: -1336.671052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1336.671052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1336.671052 (E_RNA)
where:
Base-Base interactions energy: -935.295
where: short stacking energy: -397.927
Base-Backbone interact. energy: -1.621
local terms energy: -399.754551
where:
bonds (distance) C4'-P energy: -66.132
bonds (distance) P-C4' energy: -77.585
flat angles C4'-P-C4' energy: -83.180
flat angles P-C4'-P energy: -58.133
tors. eta vs tors. theta energy: -114.725
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: 3, replica: 5
=====================================
Write number: 357
Temperature: 1.000000
Total energy: -1287.550765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1287.550765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1287.550765 (E_RNA)
where:
Base-Base interactions energy: -891.557
where: short stacking energy: -379.083
Base-Backbone interact. energy: -0.344
local terms energy: -395.649536
where:
bonds (distance) C4'-P energy: -68.382
bonds (distance) P-C4' energy: -79.683
flat angles C4'-P-C4' energy: -79.115
flat angles P-C4'-P energy: -59.476
tors. eta vs tors. theta energy: -108.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 357
Temperature: 1.050000
Total energy: -1195.541103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1195.541103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1195.541103 (E_RNA)
where:
Base-Base interactions energy: -827.714
where: short stacking energy: -342.015
Base-Backbone interact. energy: -0.053
local terms energy: -367.774749
where:
bonds (distance) C4'-P energy: -72.928
bonds (distance) P-C4' energy: -65.986
flat angles C4'-P-C4' energy: -86.080
flat angles P-C4'-P energy: -50.475
tors. eta vs tors. theta energy: -92.306
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: 5, replica: 9
=====================================
Write number: 357
Temperature: 1.100000
Total energy: -1185.991220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1185.991220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1185.991220 (E_RNA)
where:
Base-Base interactions energy: -835.678
where: short stacking energy: -348.729
Base-Backbone interact. energy: -1.543
local terms energy: -348.770308
where:
bonds (distance) C4'-P energy: -62.388
bonds (distance) P-C4' energy: -65.243
flat angles C4'-P-C4' energy: -82.604
flat angles P-C4'-P energy: -38.054
tors. eta vs tors. theta energy: -100.482
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: 10
=====================================
Write number: 357
Temperature: 1.150000
Total energy: -1098.708967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1098.708967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1098.708967 (E_RNA)
where:
Base-Base interactions energy: -752.614
where: short stacking energy: -310.405
Base-Backbone interact. energy: -2.760
local terms energy: -343.334849
where:
bonds (distance) C4'-P energy: -68.197
bonds (distance) P-C4' energy: -66.904
flat angles C4'-P-C4' energy: -82.768
flat angles P-C4'-P energy: -47.996
tors. eta vs tors. theta energy: -77.469
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: 1
=====================================
Write number: 357
Temperature: 1.200000
Total energy: -998.878310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -998.878310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -998.878310 (E_RNA)
where:
Base-Base interactions energy: -669.578
where: short stacking energy: -287.729
Base-Backbone interact. energy: -0.178
local terms energy: -329.122083
where:
bonds (distance) C4'-P energy: -55.708
bonds (distance) P-C4' energy: -64.754
flat angles C4'-P-C4' energy: -76.443
flat angles P-C4'-P energy: -44.979
tors. eta vs tors. theta energy: -87.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 357
Temperature: 1.250000
Total energy: -807.336517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -807.336517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -807.336517 (E_RNA)
where:
Base-Base interactions energy: -506.945
where: short stacking energy: -258.225
Base-Backbone interact. energy: -0.551
local terms energy: -299.841046
where:
bonds (distance) C4'-P energy: -62.679
bonds (distance) P-C4' energy: -62.623
flat angles C4'-P-C4' energy: -74.111
flat angles P-C4'-P energy: -33.188
tors. eta vs tors. theta energy: -67.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 357
Temperature: 1.300000
Total energy: -691.161079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -691.161079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -691.161079 (E_RNA)
where:
Base-Base interactions energy: -445.027
where: short stacking energy: -197.755
Base-Backbone interact. energy: 1.961
local terms energy: -248.095234
where:
bonds (distance) C4'-P energy: -69.656
bonds (distance) P-C4' energy: -61.578
flat angles C4'-P-C4' energy: -52.739
flat angles P-C4'-P energy: -37.252
tors. eta vs tors. theta energy: -26.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 357
Temperature: 1.350000
Total energy: -317.206345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.206345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.206345 (E_RNA)
where:
Base-Base interactions energy: -120.454
where: short stacking energy: -77.965
Base-Backbone interact. energy: 1.191
local terms energy: -198.403453
where:
bonds (distance) C4'-P energy: -64.274
bonds (distance) P-C4' energy: -60.240
flat angles C4'-P-C4' energy: -59.041
flat angles P-C4'-P energy: -32.842
tors. eta vs tors. theta energy: 17.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.460 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 358
Temperature: 0.900000
Total energy: -1372.726358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1372.726358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1372.726358 (E_RNA)
where:
Base-Base interactions energy: -966.825
where: short stacking energy: -385.919
Base-Backbone interact. energy: -2.440
local terms energy: -403.461012
where:
bonds (distance) C4'-P energy: -67.072
bonds (distance) P-C4' energy: -78.185
flat angles C4'-P-C4' energy: -89.014
flat angles P-C4'-P energy: -64.265
tors. eta vs tors. theta energy: -104.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 358
Temperature: 0.950000
Total energy: -1333.405441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1333.405441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1333.405441 (E_RNA)
where:
Base-Base interactions energy: -909.917
where: short stacking energy: -377.082
Base-Backbone interact. energy: -1.527
local terms energy: -421.961376
where:
bonds (distance) C4'-P energy: -72.959
bonds (distance) P-C4' energy: -86.825
flat angles C4'-P-C4' energy: -84.474
flat angles P-C4'-P energy: -57.577
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: 3, replica: 5
=====================================
Write number: 358
Temperature: 1.000000
Total energy: -1308.493159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1308.493159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1308.493159 (E_RNA)
where:
Base-Base interactions energy: -910.748
where: short stacking energy: -392.187
Base-Backbone interact. energy: -2.128
local terms energy: -395.617283
where:
bonds (distance) C4'-P energy: -77.928
bonds (distance) P-C4' energy: -69.129
flat angles C4'-P-C4' energy: -77.210
flat angles P-C4'-P energy: -60.386
tors. eta vs tors. theta energy: -110.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 358
Temperature: 1.050000
Total energy: -1209.470914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1209.470914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1209.470914 (E_RNA)
where:
Base-Base interactions energy: -842.980
where: short stacking energy: -353.425
Base-Backbone interact. energy: -4.021
local terms energy: -362.470245
where:
bonds (distance) C4'-P energy: -49.840
bonds (distance) P-C4' energy: -80.037
flat angles C4'-P-C4' energy: -92.734
flat angles P-C4'-P energy: -52.014
tors. eta vs tors. theta energy: -87.845
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: 5, replica: 9
=====================================
Write number: 358
Temperature: 1.100000
Total energy: -1185.398615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1185.398615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1185.398615 (E_RNA)
where:
Base-Base interactions energy: -800.263
where: short stacking energy: -350.910
Base-Backbone interact. energy: -0.855
local terms energy: -384.280634
where:
bonds (distance) C4'-P energy: -77.536
bonds (distance) P-C4' energy: -71.975
flat angles C4'-P-C4' energy: -78.928
flat angles P-C4'-P energy: -47.730
tors. eta vs tors. theta energy: -108.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 358
Temperature: 1.150000
Total energy: -1067.279653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1067.279653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1067.279653 (E_RNA)
where:
Base-Base interactions energy: -753.538
where: short stacking energy: -292.769
Base-Backbone interact. energy: -1.115
local terms energy: -312.626497
where:
bonds (distance) C4'-P energy: -71.200
bonds (distance) P-C4' energy: -71.868
flat angles C4'-P-C4' energy: -74.746
flat angles P-C4'-P energy: -36.682
tors. eta vs tors. theta energy: -58.131
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: 358
Temperature: 1.200000
Total energy: -1039.210639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1039.210639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1039.210639 (E_RNA)
where:
Base-Base interactions energy: -697.117
where: short stacking energy: -315.224
Base-Backbone interact. energy: -0.533
local terms energy: -341.561043
where:
bonds (distance) C4'-P energy: -55.357
bonds (distance) P-C4' energy: -69.934
flat angles C4'-P-C4' energy: -82.221
flat angles P-C4'-P energy: -45.020
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: 8, replica: 8
=====================================
Write number: 358
Temperature: 1.250000
Total energy: -788.954470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -788.954470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -788.954470 (E_RNA)
where:
Base-Base interactions energy: -501.298
where: short stacking energy: -235.421
Base-Backbone interact. energy: 2.098
local terms energy: -289.754635
where:
bonds (distance) C4'-P energy: -62.865
bonds (distance) P-C4' energy: -79.677
flat angles C4'-P-C4' energy: -61.887
flat angles P-C4'-P energy: -41.117
tors. eta vs tors. theta energy: -44.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 358
Temperature: 1.300000
Total energy: -682.441646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -682.441646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -682.441646 (E_RNA)
where:
Base-Base interactions energy: -432.939
where: short stacking energy: -199.568
Base-Backbone interact. energy: 0.150
local terms energy: -249.652491
where:
bonds (distance) C4'-P energy: -63.325
bonds (distance) P-C4' energy: -65.825
flat angles C4'-P-C4' energy: -59.759
flat angles P-C4'-P energy: -38.489
tors. eta vs tors. theta energy: -22.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 358
Temperature: 1.350000
Total energy: -353.746375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.746375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.746375 (E_RNA)
where:
Base-Base interactions energy: -134.965
where: short stacking energy: -99.018
Base-Backbone interact. energy: 1.315
local terms energy: -220.096769
where:
bonds (distance) C4'-P energy: -60.403
bonds (distance) P-C4' energy: -69.034
flat angles C4'-P-C4' energy: -53.189
flat angles P-C4'-P energy: -34.687
tors. eta vs tors. theta energy: -2.784
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: 1, replica: 7
=====================================
Write number: 359
Temperature: 0.900000
Total energy: -1385.809540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1385.809540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1385.809540 (E_RNA)
where:
Base-Base interactions energy: -984.598
where: short stacking energy: -387.284
Base-Backbone interact. energy: -2.447
local terms energy: -398.764534
where:
bonds (distance) C4'-P energy: -67.790
bonds (distance) P-C4' energy: -79.739
flat angles C4'-P-C4' energy: -87.484
flat angles P-C4'-P energy: -59.205
tors. eta vs tors. theta energy: -104.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 359
Temperature: 0.950000
Total energy: -1309.574141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1309.574141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1309.574141 (E_RNA)
where:
Base-Base interactions energy: -906.518
where: short stacking energy: -391.554
Base-Backbone interact. energy: -0.307
local terms energy: -402.749450
where:
bonds (distance) C4'-P energy: -71.140
bonds (distance) P-C4' energy: -72.622
flat angles C4'-P-C4' energy: -81.258
flat angles P-C4'-P energy: -61.919
tors. eta vs tors. theta energy: -115.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 359
Temperature: 1.000000
Total energy: -1303.378432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1303.378432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1303.378432 (E_RNA)
where:
Base-Base interactions energy: -888.128
where: short stacking energy: -403.940
Base-Backbone interact. energy: -1.194
local terms energy: -414.056860
where:
bonds (distance) C4'-P energy: -78.860
bonds (distance) P-C4' energy: -71.932
flat angles C4'-P-C4' energy: -90.885
flat angles P-C4'-P energy: -60.020
tors. eta vs tors. theta energy: -112.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 359
Temperature: 1.050000
Total energy: -1210.868739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1210.868739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1210.868739 (E_RNA)
where:
Base-Base interactions energy: -848.175
where: short stacking energy: -369.799
Base-Backbone interact. energy: -0.363
local terms energy: -362.330306
where:
bonds (distance) C4'-P energy: -67.519
bonds (distance) P-C4' energy: -63.963
flat angles C4'-P-C4' energy: -86.309
flat angles P-C4'-P energy: -41.387
tors. eta vs tors. theta energy: -103.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 359
Temperature: 1.100000
Total energy: -1194.060558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1194.060558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1194.060558 (E_RNA)
where:
Base-Base interactions energy: -823.196
where: short stacking energy: -334.450
Base-Backbone interact. energy: -2.995
local terms energy: -367.869483
where:
bonds (distance) C4'-P energy: -69.868
bonds (distance) P-C4' energy: -72.097
flat angles C4'-P-C4' energy: -76.160
flat angles P-C4'-P energy: -47.546
tors. eta vs tors. theta energy: -102.198
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: 1
=====================================
Write number: 359
Temperature: 1.150000
Total energy: -1049.274271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1049.274271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1049.274271 (E_RNA)
where:
Base-Base interactions energy: -725.911
where: short stacking energy: -311.372
Base-Backbone interact. energy: -1.535
local terms energy: -321.827900
where:
bonds (distance) C4'-P energy: -75.386
bonds (distance) P-C4' energy: -66.036
flat angles C4'-P-C4' energy: -73.460
flat angles P-C4'-P energy: -35.323
tors. eta vs tors. theta energy: -71.624
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: 10
=====================================
Write number: 359
Temperature: 1.200000
Total energy: -1005.270513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1005.270513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1005.270513 (E_RNA)
where:
Base-Base interactions energy: -684.286
where: short stacking energy: -288.073
Base-Backbone interact. energy: -1.805
local terms energy: -319.179801
where:
bonds (distance) C4'-P energy: -68.207
bonds (distance) P-C4' energy: -67.999
flat angles C4'-P-C4' energy: -65.247
flat angles P-C4'-P energy: -46.968
tors. eta vs tors. theta energy: -70.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 359
Temperature: 1.250000
Total energy: -790.938439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -790.938439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -790.938439 (E_RNA)
where:
Base-Base interactions energy: -487.638
where: short stacking energy: -223.352
Base-Backbone interact. energy: 0.618
local terms energy: -303.918807
where:
bonds (distance) C4'-P energy: -61.658
bonds (distance) P-C4' energy: -68.844
flat angles C4'-P-C4' energy: -68.552
flat angles P-C4'-P energy: -40.718
tors. eta vs tors. theta energy: -64.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 359
Temperature: 1.300000
Total energy: -692.679368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -692.679368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -692.679368 (E_RNA)
where:
Base-Base interactions energy: -428.160
where: short stacking energy: -195.786
Base-Backbone interact. energy: -0.613
local terms energy: -263.906178
where:
bonds (distance) C4'-P energy: -53.848
bonds (distance) P-C4' energy: -64.189
flat angles C4'-P-C4' energy: -61.799
flat angles P-C4'-P energy: -47.946
tors. eta vs tors. theta energy: -36.124
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: 359
Temperature: 1.350000
Total energy: -324.570807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.570807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.570807 (E_RNA)
where:
Base-Base interactions energy: -114.689
where: short stacking energy: -101.832
Base-Backbone interact. energy: 0.094
local terms energy: -209.975997
where:
bonds (distance) C4'-P energy: -63.868
bonds (distance) P-C4' energy: -54.675
flat angles C4'-P-C4' energy: -53.046
flat angles P-C4'-P energy: -37.628
tors. eta vs tors. theta energy: -0.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 360
Temperature: 0.900000
Total energy: -1382.499165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1382.499165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1382.499165 (E_RNA)
where:
Base-Base interactions energy: -969.226
where: short stacking energy: -375.736
Base-Backbone interact. energy: -2.194
local terms energy: -411.546424
where:
bonds (distance) C4'-P energy: -77.491
bonds (distance) P-C4' energy: -83.382
flat angles C4'-P-C4' energy: -89.495
flat angles P-C4'-P energy: -56.821
tors. eta vs tors. theta energy: -104.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.467 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 360
Temperature: 0.950000
Total energy: -1336.578404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1336.578404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1336.578404 (E_RNA)
where:
Base-Base interactions energy: -914.987
where: short stacking energy: -392.551
Base-Backbone interact. energy: -2.241
local terms energy: -419.350850
where:
bonds (distance) C4'-P energy: -86.191
bonds (distance) P-C4' energy: -79.410
flat angles C4'-P-C4' energy: -88.034
flat angles P-C4'-P energy: -54.800
tors. eta vs tors. theta energy: -110.917
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: 3, replica: 3
=====================================
Write number: 360
Temperature: 1.000000
Total energy: -1313.604923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1313.604923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1313.604923 (E_RNA)
where:
Base-Base interactions energy: -899.225
where: short stacking energy: -388.146
Base-Backbone interact. energy: -2.968
local terms energy: -411.411929
where:
bonds (distance) C4'-P energy: -73.710
bonds (distance) P-C4' energy: -73.224
flat angles C4'-P-C4' energy: -83.794
flat angles P-C4'-P energy: -58.135
tors. eta vs tors. theta energy: -122.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 360
Temperature: 1.050000
Total energy: -1209.610937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1209.610937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1209.610937 (E_RNA)
where:
Base-Base interactions energy: -853.580
where: short stacking energy: -359.482
Base-Backbone interact. energy: -0.667
local terms energy: -355.363996
where:
bonds (distance) C4'-P energy: -70.237
bonds (distance) P-C4' energy: -59.012
flat angles C4'-P-C4' energy: -78.235
flat angles P-C4'-P energy: -48.457
tors. eta vs tors. theta energy: -99.422
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: 4
=====================================
Write number: 360
Temperature: 1.100000
Total energy: -1166.168255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1166.168255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1166.168255 (E_RNA)
where:
Base-Base interactions energy: -827.228
where: short stacking energy: -341.360
Base-Backbone interact. energy: 5.833
local terms energy: -344.772919
where:
bonds (distance) C4'-P energy: -52.535
bonds (distance) P-C4' energy: -69.087
flat angles C4'-P-C4' energy: -78.133
flat angles P-C4'-P energy: -55.901
tors. eta vs tors. theta energy: -89.117
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: 6, replica: 1
=====================================
Write number: 360
Temperature: 1.150000
Total energy: -1036.048639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1036.048639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1036.048639 (E_RNA)
where:
Base-Base interactions energy: -690.514
where: short stacking energy: -295.973
Base-Backbone interact. energy: 0.377
local terms energy: -345.911130
where:
bonds (distance) C4'-P energy: -66.311
bonds (distance) P-C4' energy: -77.505
flat angles C4'-P-C4' energy: -75.897
flat angles P-C4'-P energy: -51.149
tors. eta vs tors. theta energy: -75.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 360
Temperature: 1.200000
Total energy: -985.150494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -985.150494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -985.150494 (E_RNA)
where:
Base-Base interactions energy: -651.009
where: short stacking energy: -286.424
Base-Backbone interact. energy: -2.110
local terms energy: -332.031956
where:
bonds (distance) C4'-P energy: -64.608
bonds (distance) P-C4' energy: -64.683
flat angles C4'-P-C4' energy: -75.738
flat angles P-C4'-P energy: -59.239
tors. eta vs tors. theta energy: -67.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 360
Temperature: 1.250000
Total energy: -772.025621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -772.025621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -772.025621 (E_RNA)
where:
Base-Base interactions energy: -505.376
where: short stacking energy: -238.459
Base-Backbone interact. energy: 0.865
local terms energy: -267.514330
where:
bonds (distance) C4'-P energy: -60.862
bonds (distance) P-C4' energy: -65.973
flat angles C4'-P-C4' energy: -65.222
flat angles P-C4'-P energy: -29.304
tors. eta vs tors. theta energy: -46.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 360
Temperature: 1.300000
Total energy: -703.321374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -703.321374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -703.321374 (E_RNA)
where:
Base-Base interactions energy: -460.304
where: short stacking energy: -199.911
Base-Backbone interact. energy: 0.309
local terms energy: -243.325877
where:
bonds (distance) C4'-P energy: -49.075
bonds (distance) P-C4' energy: -63.967
flat angles C4'-P-C4' energy: -65.506
flat angles P-C4'-P energy: -31.494
tors. eta vs tors. theta energy: -33.284
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: 10, replica: 2
=====================================
Write number: 360
Temperature: 1.350000
Total energy: -331.100552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.100552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.100552 (E_RNA)
where:
Base-Base interactions energy: -135.987
where: short stacking energy: -107.345
Base-Backbone interact. energy: 2.433
local terms energy: -198.719854
where:
bonds (distance) C4'-P energy: -54.242
bonds (distance) P-C4' energy: -58.898
flat angles C4'-P-C4' energy: -65.563
flat angles P-C4'-P energy: -33.687
tors. eta vs tors. theta energy: 13.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.174 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 361
Temperature: 0.900000
Total energy: -1403.105527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1403.105527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1403.105527 (E_RNA)
where:
Base-Base interactions energy: -992.354
where: short stacking energy: -394.010
Base-Backbone interact. energy: -1.939
local terms energy: -408.812104
where:
bonds (distance) C4'-P energy: -73.062
bonds (distance) P-C4' energy: -78.100
flat angles C4'-P-C4' energy: -88.826
flat angles P-C4'-P energy: -61.999
tors. eta vs tors. theta energy: -106.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 361
Temperature: 0.950000
Total energy: -1347.751900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1347.751900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1347.751900 (E_RNA)
where:
Base-Base interactions energy: -928.497
where: short stacking energy: -403.023
Base-Backbone interact. energy: -1.609
local terms energy: -417.645740
where:
bonds (distance) C4'-P energy: -73.815
bonds (distance) P-C4' energy: -80.528
flat angles C4'-P-C4' energy: -90.965
flat angles P-C4'-P energy: -50.807
tors. eta vs tors. theta energy: -121.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 361
Temperature: 1.000000
Total energy: -1276.120268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1276.120268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1276.120268 (E_RNA)
where:
Base-Base interactions energy: -881.805
where: short stacking energy: -379.227
Base-Backbone interact. energy: -1.762
local terms energy: -392.553137
where:
bonds (distance) C4'-P energy: -59.495
bonds (distance) P-C4' energy: -70.620
flat angles C4'-P-C4' energy: -90.027
flat angles P-C4'-P energy: -60.315
tors. eta vs tors. theta energy: -112.096
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: 9
=====================================
Write number: 361
Temperature: 1.050000
Total energy: -1223.588770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1223.588770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1223.588770 (E_RNA)
where:
Base-Base interactions energy: -842.015
where: short stacking energy: -377.935
Base-Backbone interact. energy: -0.456
local terms energy: -381.117586
where:
bonds (distance) C4'-P energy: -71.845
bonds (distance) P-C4' energy: -65.658
flat angles C4'-P-C4' energy: -81.650
flat angles P-C4'-P energy: -57.110
tors. eta vs tors. theta energy: -104.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 361
Temperature: 1.100000
Total energy: -1153.550154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1153.550154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1153.550154 (E_RNA)
where:
Base-Base interactions energy: -764.177
where: short stacking energy: -335.859
Base-Backbone interact. energy: -2.287
local terms energy: -387.086082
where:
bonds (distance) C4'-P energy: -64.462
bonds (distance) P-C4' energy: -74.748
flat angles C4'-P-C4' energy: -86.864
flat angles P-C4'-P energy: -59.527
tors. eta vs tors. theta energy: -101.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 361
Temperature: 1.150000
Total energy: -1085.254192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1085.254192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1085.254192 (E_RNA)
where:
Base-Base interactions energy: -731.627
where: short stacking energy: -323.019
Base-Backbone interact. energy: -0.463
local terms energy: -353.164369
where:
bonds (distance) C4'-P energy: -69.671
bonds (distance) P-C4' energy: -73.021
flat angles C4'-P-C4' energy: -73.108
flat angles P-C4'-P energy: -52.033
tors. eta vs tors. theta energy: -85.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 361
Temperature: 1.200000
Total energy: -966.630765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -966.630765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -966.630765 (E_RNA)
where:
Base-Base interactions energy: -636.926
where: short stacking energy: -259.237
Base-Backbone interact. energy: -2.307
local terms energy: -327.397796
where:
bonds (distance) C4'-P energy: -70.790
bonds (distance) P-C4' energy: -80.228
flat angles C4'-P-C4' energy: -71.537
flat angles P-C4'-P energy: -52.673
tors. eta vs tors. theta energy: -52.170
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: 8
=====================================
Write number: 361
Temperature: 1.250000
Total energy: -793.633311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -793.633311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -793.633311 (E_RNA)
where:
Base-Base interactions energy: -507.127
where: short stacking energy: -241.273
Base-Backbone interact. energy: 0.509
local terms energy: -287.015772
where:
bonds (distance) C4'-P energy: -55.763
bonds (distance) P-C4' energy: -56.804
flat angles C4'-P-C4' energy: -69.007
flat angles P-C4'-P energy: -56.766
tors. eta vs tors. theta energy: -48.677
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: 9, replica: 6
=====================================
Write number: 361
Temperature: 1.300000
Total energy: -697.776847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -697.776847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -697.776847 (E_RNA)
where:
Base-Base interactions energy: -460.041
where: short stacking energy: -202.782
Base-Backbone interact. energy: -0.585
local terms energy: -237.150636
where:
bonds (distance) C4'-P energy: -45.393
bonds (distance) P-C4' energy: -64.529
flat angles C4'-P-C4' energy: -70.192
flat angles P-C4'-P energy: -32.774
tors. eta vs tors. theta energy: -24.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 361
Temperature: 1.350000
Total energy: -328.450462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.450462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.450462 (E_RNA)
where:
Base-Base interactions energy: -120.860
where: short stacking energy: -110.322
Base-Backbone interact. energy: -0.711
local terms energy: -206.879494
where:
bonds (distance) C4'-P energy: -51.236
bonds (distance) P-C4' energy: -72.043
flat angles C4'-P-C4' energy: -58.506
flat angles P-C4'-P energy: -33.291
tors. eta vs tors. theta energy: 8.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 362
Temperature: 0.900000
Total energy: -1396.562157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1396.562157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1396.562157 (E_RNA)
where:
Base-Base interactions energy: -971.155
where: short stacking energy: -389.055
Base-Backbone interact. energy: -2.693
local terms energy: -422.714345
where:
bonds (distance) C4'-P energy: -78.491
bonds (distance) P-C4' energy: -79.389
flat angles C4'-P-C4' energy: -90.629
flat angles P-C4'-P energy: -64.327
tors. eta vs tors. theta energy: -109.878
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: 3
=====================================
Write number: 362
Temperature: 0.950000
Total energy: -1345.043217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1345.043217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1345.043217 (E_RNA)
where:
Base-Base interactions energy: -929.870
where: short stacking energy: -407.629
Base-Backbone interact. energy: 0.932
local terms energy: -416.104606
where:
bonds (distance) C4'-P energy: -74.725
bonds (distance) P-C4' energy: -76.613
flat angles C4'-P-C4' energy: -80.966
flat angles P-C4'-P energy: -61.455
tors. eta vs tors. theta energy: -122.347
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: 362
Temperature: 1.000000
Total energy: -1299.328263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1299.328263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1299.328263 (E_RNA)
where:
Base-Base interactions energy: -898.390
where: short stacking energy: -365.425
Base-Backbone interact. energy: -2.285
local terms energy: -398.653039
where:
bonds (distance) C4'-P energy: -74.158
bonds (distance) P-C4' energy: -70.982
flat angles C4'-P-C4' energy: -83.681
flat angles P-C4'-P energy: -58.073
tors. eta vs tors. theta energy: -111.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 362
Temperature: 1.050000
Total energy: -1204.880457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1204.880457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1204.880457 (E_RNA)
where:
Base-Base interactions energy: -830.437
where: short stacking energy: -349.009
Base-Backbone interact. energy: 0.876
local terms energy: -375.319787
where:
bonds (distance) C4'-P energy: -67.122
bonds (distance) P-C4' energy: -80.041
flat angles C4'-P-C4' energy: -86.084
flat angles P-C4'-P energy: -49.176
tors. eta vs tors. theta energy: -92.896
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: 5, replica: 4
=====================================
Write number: 362
Temperature: 1.100000
Total energy: -1177.603797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1177.603797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1177.603797 (E_RNA)
where:
Base-Base interactions energy: -818.654
where: short stacking energy: -325.361
Base-Backbone interact. energy: -0.194
local terms energy: -358.756052
where:
bonds (distance) C4'-P energy: -72.652
bonds (distance) P-C4' energy: -74.053
flat angles C4'-P-C4' energy: -75.510
flat angles P-C4'-P energy: -48.047
tors. eta vs tors. theta energy: -88.493
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: 6, replica: 1
=====================================
Write number: 362
Temperature: 1.150000
Total energy: -1102.780316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1102.780316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1102.780316 (E_RNA)
where:
Base-Base interactions energy: -753.233
where: short stacking energy: -340.818
Base-Backbone interact. energy: -2.662
local terms energy: -346.885659
where:
bonds (distance) C4'-P energy: -67.684
bonds (distance) P-C4' energy: -72.244
flat angles C4'-P-C4' energy: -68.844
flat angles P-C4'-P energy: -45.616
tors. eta vs tors. theta energy: -92.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 362
Temperature: 1.200000
Total energy: -927.916392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -927.916392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -927.916392 (E_RNA)
where:
Base-Base interactions energy: -619.933
where: short stacking energy: -248.479
Base-Backbone interact. energy: -0.874
local terms energy: -307.109197
where:
bonds (distance) C4'-P energy: -67.594
bonds (distance) P-C4' energy: -67.061
flat angles C4'-P-C4' energy: -65.607
flat angles P-C4'-P energy: -50.627
tors. eta vs tors. theta energy: -56.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 362
Temperature: 1.250000
Total energy: -736.774075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -736.774075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -736.774075 (E_RNA)
where:
Base-Base interactions energy: -457.054
where: short stacking energy: -214.924
Base-Backbone interact. energy: -0.052
local terms energy: -279.667763
where:
bonds (distance) C4'-P energy: -61.987
bonds (distance) P-C4' energy: -76.318
flat angles C4'-P-C4' energy: -64.115
flat angles P-C4'-P energy: -45.156
tors. eta vs tors. theta energy: -32.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 362
Temperature: 1.300000
Total energy: -666.063383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -666.063383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -666.063383 (E_RNA)
where:
Base-Base interactions energy: -419.914
where: short stacking energy: -190.929
Base-Backbone interact. energy: -0.833
local terms energy: -245.316027
where:
bonds (distance) C4'-P energy: -56.475
bonds (distance) P-C4' energy: -51.174
flat angles C4'-P-C4' energy: -66.152
flat angles P-C4'-P energy: -34.242
tors. eta vs tors. theta energy: -37.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 362
Temperature: 1.350000
Total energy: -334.456700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.456700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.456700 (E_RNA)
where:
Base-Base interactions energy: -119.602
where: short stacking energy: -100.103
Base-Backbone interact. energy: 2.674
local terms energy: -217.529176
where:
bonds (distance) C4'-P energy: -59.217
bonds (distance) P-C4' energy: -85.070
flat angles C4'-P-C4' energy: -57.316
flat angles P-C4'-P energy: -29.806
tors. eta vs tors. theta energy: 13.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 363
Temperature: 0.900000
Total energy: -1372.691306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1372.691306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1372.691306 (E_RNA)
where:
Base-Base interactions energy: -972.175
where: short stacking energy: -393.712
Base-Backbone interact. energy: -2.062
local terms energy: -398.454568
where:
bonds (distance) C4'-P energy: -73.356
bonds (distance) P-C4' energy: -84.250
flat angles C4'-P-C4' energy: -85.548
flat angles P-C4'-P energy: -46.033
tors. eta vs tors. theta energy: -109.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 363
Temperature: 0.950000
Total energy: -1337.649375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1337.649375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1337.649375 (E_RNA)
where:
Base-Base interactions energy: -939.926
where: short stacking energy: -412.598
Base-Backbone interact. energy: -2.112
local terms energy: -395.611812
where:
bonds (distance) C4'-P energy: -65.680
bonds (distance) P-C4' energy: -68.783
flat angles C4'-P-C4' energy: -86.624
flat angles P-C4'-P energy: -60.569
tors. eta vs tors. theta energy: -113.956
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: 3
=====================================
Write number: 363
Temperature: 1.000000
Total energy: -1319.107263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1319.107263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1319.107263 (E_RNA)
where:
Base-Base interactions energy: -886.405
where: short stacking energy: -386.819
Base-Backbone interact. energy: -1.909
local terms energy: -430.793488
where:
bonds (distance) C4'-P energy: -76.223
bonds (distance) P-C4' energy: -79.596
flat angles C4'-P-C4' energy: -84.732
flat angles P-C4'-P energy: -66.889
tors. eta vs tors. theta energy: -123.352
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: 4
=====================================
Write number: 363
Temperature: 1.050000
Total energy: -1199.663885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1199.663885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1199.663885 (E_RNA)
where:
Base-Base interactions energy: -832.525
where: short stacking energy: -349.002
Base-Backbone interact. energy: -0.003
local terms energy: -367.136018
where:
bonds (distance) C4'-P energy: -66.002
bonds (distance) P-C4' energy: -66.778
flat angles C4'-P-C4' energy: -84.634
flat angles P-C4'-P energy: -55.065
tors. eta vs tors. theta energy: -94.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 363
Temperature: 1.100000
Total energy: -1185.373319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1185.373319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1185.373319 (E_RNA)
where:
Base-Base interactions energy: -814.439
where: short stacking energy: -339.716
Base-Backbone interact. energy: -1.544
local terms energy: -369.390034
where:
bonds (distance) C4'-P energy: -68.059
bonds (distance) P-C4' energy: -61.178
flat angles C4'-P-C4' energy: -82.145
flat angles P-C4'-P energy: -66.152
tors. eta vs tors. theta energy: -91.856
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: 1
=====================================
Write number: 363
Temperature: 1.150000
Total energy: -1075.838528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1075.838528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1075.838528 (E_RNA)
where:
Base-Base interactions energy: -705.955
where: short stacking energy: -303.695
Base-Backbone interact. energy: -1.562
local terms energy: -368.322200
where:
bonds (distance) C4'-P energy: -77.133
bonds (distance) P-C4' energy: -78.578
flat angles C4'-P-C4' energy: -76.266
flat angles P-C4'-P energy: -52.893
tors. eta vs tors. theta energy: -83.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 363
Temperature: 1.200000
Total energy: -926.858686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -926.858686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -926.858686 (E_RNA)
where:
Base-Base interactions energy: -635.551
where: short stacking energy: -275.036
Base-Backbone interact. energy: 1.323
local terms energy: -292.630549
where:
bonds (distance) C4'-P energy: -56.469
bonds (distance) P-C4' energy: -59.190
flat angles C4'-P-C4' energy: -66.119
flat angles P-C4'-P energy: -48.583
tors. eta vs tors. theta energy: -62.269
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: 8
=====================================
Write number: 363
Temperature: 1.250000
Total energy: -779.621816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -779.621816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -779.621816 (E_RNA)
where:
Base-Base interactions energy: -480.983
where: short stacking energy: -240.528
Base-Backbone interact. energy: -0.038
local terms energy: -298.600810
where:
bonds (distance) C4'-P energy: -62.482
bonds (distance) P-C4' energy: -73.874
flat angles C4'-P-C4' energy: -64.587
flat angles P-C4'-P energy: -44.456
tors. eta vs tors. theta energy: -53.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 363
Temperature: 1.300000
Total energy: -653.437931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -653.437931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -653.437931 (E_RNA)
where:
Base-Base interactions energy: -379.752
where: short stacking energy: -177.224
Base-Backbone interact. energy: -1.841
local terms energy: -271.844399
where:
bonds (distance) C4'-P energy: -68.797
bonds (distance) P-C4' energy: -73.521
flat angles C4'-P-C4' energy: -64.457
flat angles P-C4'-P energy: -35.871
tors. eta vs tors. theta energy: -29.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 363
Temperature: 1.350000
Total energy: -315.785652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.785652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.785652 (E_RNA)
where:
Base-Base interactions energy: -110.592
where: short stacking energy: -96.949
Base-Backbone interact. energy: 0.387
local terms energy: -207.567274
where:
bonds (distance) C4'-P energy: -41.292
bonds (distance) P-C4' energy: -83.352
flat angles C4'-P-C4' energy: -59.772
flat angles P-C4'-P energy: -34.822
tors. eta vs tors. theta energy: 11.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.987 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 364
Temperature: 0.900000
Total energy: -1371.362945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1371.362945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1371.362945 (E_RNA)
where:
Base-Base interactions energy: -964.828
where: short stacking energy: -386.708
Base-Backbone interact. energy: -2.015
local terms energy: -404.519771
where:
bonds (distance) C4'-P energy: -75.888
bonds (distance) P-C4' energy: -82.585
flat angles C4'-P-C4' energy: -82.032
flat angles P-C4'-P energy: -64.291
tors. eta vs tors. theta energy: -99.724
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: 2, replica: 5
=====================================
Write number: 364
Temperature: 0.950000
Total energy: -1326.036567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1326.036567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1326.036567 (E_RNA)
where:
Base-Base interactions energy: -929.473
where: short stacking energy: -375.396
Base-Backbone interact. energy: -2.435
local terms energy: -394.128797
where:
bonds (distance) C4'-P energy: -83.604
bonds (distance) P-C4' energy: -72.113
flat angles C4'-P-C4' energy: -82.262
flat angles P-C4'-P energy: -51.164
tors. eta vs tors. theta energy: -104.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 364
Temperature: 1.000000
Total energy: -1295.915600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1295.915600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1295.915600 (E_RNA)
where:
Base-Base interactions energy: -885.600
where: short stacking energy: -367.860
Base-Backbone interact. energy: -0.738
local terms energy: -409.577923
where:
bonds (distance) C4'-P energy: -69.654
bonds (distance) P-C4' energy: -79.047
flat angles C4'-P-C4' energy: -80.840
flat angles P-C4'-P energy: -65.584
tors. eta vs tors. theta energy: -114.453
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: 4
=====================================
Write number: 364
Temperature: 1.050000
Total energy: -1197.452128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1197.452128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1197.452128 (E_RNA)
where:
Base-Base interactions energy: -817.226
where: short stacking energy: -337.195
Base-Backbone interact. energy: -1.728
local terms energy: -378.498515
where:
bonds (distance) C4'-P energy: -76.178
bonds (distance) P-C4' energy: -75.528
flat angles C4'-P-C4' energy: -74.798
flat angles P-C4'-P energy: -56.187
tors. eta vs tors. theta energy: -95.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 364
Temperature: 1.100000
Total energy: -1178.092596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1178.092596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1178.092596 (E_RNA)
where:
Base-Base interactions energy: -817.068
where: short stacking energy: -342.469
Base-Backbone interact. energy: -0.235
local terms energy: -360.789943
where:
bonds (distance) C4'-P energy: -65.709
bonds (distance) P-C4' energy: -69.165
flat angles C4'-P-C4' energy: -83.404
flat angles P-C4'-P energy: -48.036
tors. eta vs tors. theta energy: -94.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 364
Temperature: 1.150000
Total energy: -1080.464568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1080.464568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1080.464568 (E_RNA)
where:
Base-Base interactions energy: -736.179
where: short stacking energy: -325.616
Base-Backbone interact. energy: -0.425
local terms energy: -343.860873
where:
bonds (distance) C4'-P energy: -70.126
bonds (distance) P-C4' energy: -66.466
flat angles C4'-P-C4' energy: -62.845
flat angles P-C4'-P energy: -51.121
tors. eta vs tors. theta energy: -93.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 364
Temperature: 1.200000
Total energy: -949.941976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -949.941976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -949.941976 (E_RNA)
where:
Base-Base interactions energy: -638.159
where: short stacking energy: -278.656
Base-Backbone interact. energy: -1.303
local terms energy: -310.479741
where:
bonds (distance) C4'-P energy: -71.625
bonds (distance) P-C4' energy: -58.877
flat angles C4'-P-C4' energy: -64.619
flat angles P-C4'-P energy: -51.069
tors. eta vs tors. theta energy: -64.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 364
Temperature: 1.250000
Total energy: -814.247093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -814.247093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -814.247093 (E_RNA)
where:
Base-Base interactions energy: -516.892
where: short stacking energy: -249.273
Base-Backbone interact. energy: -0.843
local terms energy: -296.511840
where:
bonds (distance) C4'-P energy: -70.148
bonds (distance) P-C4' energy: -65.900
flat angles C4'-P-C4' energy: -59.843
flat angles P-C4'-P energy: -46.071
tors. eta vs tors. theta energy: -54.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 364
Temperature: 1.300000
Total energy: -683.867716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -683.867716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -683.867716 (E_RNA)
where:
Base-Base interactions energy: -421.236
where: short stacking energy: -215.635
Base-Backbone interact. energy: -2.382
local terms energy: -260.249441
where:
bonds (distance) C4'-P energy: -58.351
bonds (distance) P-C4' energy: -50.442
flat angles C4'-P-C4' energy: -71.133
flat angles P-C4'-P energy: -44.779
tors. eta vs tors. theta energy: -35.543
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: 2
=====================================
Write number: 364
Temperature: 1.350000
Total energy: -338.172016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.172016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.172016 (E_RNA)
where:
Base-Base interactions energy: -116.031
where: short stacking energy: -83.865
Base-Backbone interact. energy: 6.849
local terms energy: -228.989927
where:
bonds (distance) C4'-P energy: -52.854
bonds (distance) P-C4' energy: -70.282
flat angles C4'-P-C4' energy: -66.579
flat angles P-C4'-P energy: -38.761
tors. eta vs tors. theta energy: -0.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 365
Temperature: 0.900000
Total energy: -1383.575293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1383.575293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1383.575293 (E_RNA)
where:
Base-Base interactions energy: -973.116
where: short stacking energy: -395.594
Base-Backbone interact. energy: -1.629
local terms energy: -408.830844
where:
bonds (distance) C4'-P energy: -85.772
bonds (distance) P-C4' energy: -79.255
flat angles C4'-P-C4' energy: -83.346
flat angles P-C4'-P energy: -55.196
tors. eta vs tors. theta energy: -105.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 365
Temperature: 0.950000
Total energy: -1351.617549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1351.617549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1351.617549 (E_RNA)
where:
Base-Base interactions energy: -943.471
where: short stacking energy: -379.271
Base-Backbone interact. energy: -1.694
local terms energy: -406.452824
where:
bonds (distance) C4'-P energy: -84.459
bonds (distance) P-C4' energy: -70.737
flat angles C4'-P-C4' energy: -82.148
flat angles P-C4'-P energy: -56.462
tors. eta vs tors. theta energy: -112.647
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: 3, replica: 3
=====================================
Write number: 365
Temperature: 1.000000
Total energy: -1276.163858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1276.163858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1276.163858 (E_RNA)
where:
Base-Base interactions energy: -870.655
where: short stacking energy: -369.369
Base-Backbone interact. energy: -1.995
local terms energy: -403.513620
where:
bonds (distance) C4'-P energy: -77.117
bonds (distance) P-C4' energy: -82.577
flat angles C4'-P-C4' energy: -88.683
flat angles P-C4'-P energy: -55.472
tors. eta vs tors. theta energy: -99.665
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: 9
=====================================
Write number: 365
Temperature: 1.050000
Total energy: -1219.614524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1219.614524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1219.614524 (E_RNA)
where:
Base-Base interactions energy: -853.881
where: short stacking energy: -346.622
Base-Backbone interact. energy: -1.910
local terms energy: -363.823022
where:
bonds (distance) C4'-P energy: -75.500
bonds (distance) P-C4' energy: -55.520
flat angles C4'-P-C4' energy: -78.296
flat angles P-C4'-P energy: -55.926
tors. eta vs tors. theta energy: -98.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 365
Temperature: 1.100000
Total energy: -1170.531646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1170.531646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1170.531646 (E_RNA)
where:
Base-Base interactions energy: -803.863
where: short stacking energy: -338.139
Base-Backbone interact. energy: 4.674
local terms energy: -371.342290
where:
bonds (distance) C4'-P energy: -74.924
bonds (distance) P-C4' energy: -72.942
flat angles C4'-P-C4' energy: -83.148
flat angles P-C4'-P energy: -49.396
tors. eta vs tors. theta energy: -90.933
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: 1
=====================================
Write number: 365
Temperature: 1.150000
Total energy: -1061.987710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1061.987710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1061.987710 (E_RNA)
where:
Base-Base interactions energy: -705.079
where: short stacking energy: -304.705
Base-Backbone interact. energy: -1.132
local terms energy: -355.776915
where:
bonds (distance) C4'-P energy: -71.856
bonds (distance) P-C4' energy: -69.638
flat angles C4'-P-C4' energy: -69.377
flat angles P-C4'-P energy: -62.481
tors. eta vs tors. theta energy: -82.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 365
Temperature: 1.200000
Total energy: -930.027833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -930.027833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -930.027833 (E_RNA)
where:
Base-Base interactions energy: -623.044
where: short stacking energy: -264.150
Base-Backbone interact. energy: -1.461
local terms energy: -305.522615
where:
bonds (distance) C4'-P energy: -57.214
bonds (distance) P-C4' energy: -67.347
flat angles C4'-P-C4' energy: -76.422
flat angles P-C4'-P energy: -39.091
tors. eta vs tors. theta energy: -65.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 365
Temperature: 1.250000
Total energy: -784.192730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -784.192730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -784.192730 (E_RNA)
where:
Base-Base interactions energy: -512.403
where: short stacking energy: -226.296
Base-Backbone interact. energy: -2.263
local terms energy: -269.526774
where:
bonds (distance) C4'-P energy: -46.619
bonds (distance) P-C4' energy: -66.253
flat angles C4'-P-C4' energy: -66.965
flat angles P-C4'-P energy: -39.015
tors. eta vs tors. theta energy: -50.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 365
Temperature: 1.300000
Total energy: -683.838825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -683.838825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -683.838825 (E_RNA)
where:
Base-Base interactions energy: -432.525
where: short stacking energy: -196.712
Base-Backbone interact. energy: -1.224
local terms energy: -250.089270
where:
bonds (distance) C4'-P energy: -59.910
bonds (distance) P-C4' energy: -59.760
flat angles C4'-P-C4' energy: -64.998
flat angles P-C4'-P energy: -35.794
tors. eta vs tors. theta energy: -29.628
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: 2
=====================================
Write number: 365
Temperature: 1.350000
Total energy: -353.077351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.077351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.077351 (E_RNA)
where:
Base-Base interactions energy: -169.019
where: short stacking energy: -98.083
Base-Backbone interact. energy: 0.603
local terms energy: -185.116750
where:
bonds (distance) C4'-P energy: -53.388
bonds (distance) P-C4' energy: -70.128
flat angles C4'-P-C4' energy: -51.982
flat angles P-C4'-P energy: -26.081
tors. eta vs tors. theta energy: 16.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.455 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 366
Temperature: 0.900000
Total energy: -1380.248629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1380.248629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1380.248629 (E_RNA)
where:
Base-Base interactions energy: -961.993
where: short stacking energy: -407.576
Base-Backbone interact. energy: -1.547
local terms energy: -416.708884
where:
bonds (distance) C4'-P energy: -81.279
bonds (distance) P-C4' energy: -75.638
flat angles C4'-P-C4' energy: -90.469
flat angles P-C4'-P energy: -61.685
tors. eta vs tors. theta energy: -107.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 366
Temperature: 0.950000
Total energy: -1353.111008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1353.111008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1353.111008 (E_RNA)
where:
Base-Base interactions energy: -941.843
where: short stacking energy: -391.611
Base-Backbone interact. energy: -2.445
local terms energy: -408.823194
where:
bonds (distance) C4'-P energy: -68.236
bonds (distance) P-C4' energy: -83.949
flat angles C4'-P-C4' energy: -84.690
flat angles P-C4'-P energy: -55.931
tors. eta vs tors. theta energy: -116.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 366
Temperature: 1.000000
Total energy: -1256.402162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1256.402162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1256.402162 (E_RNA)
where:
Base-Base interactions energy: -859.809
where: short stacking energy: -370.634
Base-Backbone interact. energy: -1.203
local terms energy: -395.390599
where:
bonds (distance) C4'-P energy: -70.639
bonds (distance) P-C4' energy: -78.292
flat angles C4'-P-C4' energy: -87.889
flat angles P-C4'-P energy: -53.998
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: 4, replica: 9
=====================================
Write number: 366
Temperature: 1.050000
Total energy: -1229.501699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1229.501699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1229.501699 (E_RNA)
where:
Base-Base interactions energy: -858.442
where: short stacking energy: -338.387
Base-Backbone interact. energy: -1.498
local terms energy: -369.561849
where:
bonds (distance) C4'-P energy: -71.110
bonds (distance) P-C4' energy: -71.235
flat angles C4'-P-C4' energy: -82.440
flat angles P-C4'-P energy: -51.412
tors. eta vs tors. theta energy: -93.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 366
Temperature: 1.100000
Total energy: -1177.326120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1177.326120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1177.326120 (E_RNA)
where:
Base-Base interactions energy: -835.138
where: short stacking energy: -357.016
Base-Backbone interact. energy: -1.243
local terms energy: -340.944958
where:
bonds (distance) C4'-P energy: -56.180
bonds (distance) P-C4' energy: -63.043
flat angles C4'-P-C4' energy: -74.899
flat angles P-C4'-P energy: -46.968
tors. eta vs tors. theta energy: -99.856
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: 1
=====================================
Write number: 366
Temperature: 1.150000
Total energy: -1043.438704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1043.438704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1043.438704 (E_RNA)
where:
Base-Base interactions energy: -698.581
where: short stacking energy: -298.821
Base-Backbone interact. energy: -0.992
local terms energy: -343.870393
where:
bonds (distance) C4'-P energy: -67.976
bonds (distance) P-C4' energy: -75.732
flat angles C4'-P-C4' energy: -81.787
flat angles P-C4'-P energy: -38.199
tors. eta vs tors. theta energy: -80.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.005 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 366
Temperature: 1.200000
Total energy: -903.241959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -903.241959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -903.241959 (E_RNA)
where:
Base-Base interactions energy: -601.076
where: short stacking energy: -249.444
Base-Backbone interact. energy: -1.155
local terms energy: -301.010414
where:
bonds (distance) C4'-P energy: -65.779
bonds (distance) P-C4' energy: -69.003
flat angles C4'-P-C4' energy: -80.166
flat angles P-C4'-P energy: -39.505
tors. eta vs tors. theta energy: -46.557
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: 8
=====================================
Write number: 366
Temperature: 1.250000
Total energy: -787.467835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -787.467835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -787.467835 (E_RNA)
where:
Base-Base interactions energy: -515.411
where: short stacking energy: -235.070
Base-Backbone interact. energy: -1.581
local terms energy: -270.475875
where:
bonds (distance) C4'-P energy: -58.112
bonds (distance) P-C4' energy: -64.119
flat angles C4'-P-C4' energy: -55.089
flat angles P-C4'-P energy: -42.815
tors. eta vs tors. theta energy: -50.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 366
Temperature: 1.300000
Total energy: -673.120470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -673.120470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -673.120470 (E_RNA)
where:
Base-Base interactions energy: -424.302
where: short stacking energy: -188.329
Base-Backbone interact. energy: 2.891
local terms energy: -251.709226
where:
bonds (distance) C4'-P energy: -54.366
bonds (distance) P-C4' energy: -72.584
flat angles C4'-P-C4' energy: -48.316
flat angles P-C4'-P energy: -45.035
tors. eta vs tors. theta energy: -31.408
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: 366
Temperature: 1.350000
Total energy: -341.173086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.173086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.173086 (E_RNA)
where:
Base-Base interactions energy: -106.764
where: short stacking energy: -85.259
Base-Backbone interact. energy: 0.503
local terms energy: -234.911680
where:
bonds (distance) C4'-P energy: -68.861
bonds (distance) P-C4' energy: -82.281
flat angles C4'-P-C4' energy: -50.901
flat angles P-C4'-P energy: -34.359
tors. eta vs tors. theta energy: 1.491
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: 7
=====================================
Write number: 367
Temperature: 0.900000
Total energy: -1397.503657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1397.503657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1397.503657 (E_RNA)
where:
Base-Base interactions energy: -984.527
where: short stacking energy: -382.699
Base-Backbone interact. energy: -3.384
local terms energy: -409.592598
where:
bonds (distance) C4'-P energy: -71.977
bonds (distance) P-C4' energy: -66.729
flat angles C4'-P-C4' energy: -95.035
flat angles P-C4'-P energy: -65.546
tors. eta vs tors. theta energy: -110.306
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: 5
=====================================
Write number: 367
Temperature: 0.950000
Total energy: -1378.962138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1378.962138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1378.962138 (E_RNA)
where:
Base-Base interactions energy: -944.902
where: short stacking energy: -406.660
Base-Backbone interact. energy: -1.359
local terms energy: -432.701117
where:
bonds (distance) C4'-P energy: -77.702
bonds (distance) P-C4' energy: -79.377
flat angles C4'-P-C4' energy: -92.862
flat angles P-C4'-P energy: -66.616
tors. eta vs tors. theta energy: -116.144
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: 3, replica: 3
=====================================
Write number: 367
Temperature: 1.000000
Total energy: -1266.123122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1266.123122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1266.123122 (E_RNA)
where:
Base-Base interactions energy: -868.593
where: short stacking energy: -363.365
Base-Backbone interact. energy: -0.794
local terms energy: -396.736184
where:
bonds (distance) C4'-P energy: -67.053
bonds (distance) P-C4' energy: -79.274
flat angles C4'-P-C4' energy: -80.023
flat angles P-C4'-P energy: -61.273
tors. eta vs tors. theta energy: -109.113
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: 4, replica: 9
=====================================
Write number: 367
Temperature: 1.050000
Total energy: -1228.094807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1228.094807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1228.094807 (E_RNA)
where:
Base-Base interactions energy: -873.000
where: short stacking energy: -377.578
Base-Backbone interact. energy: -1.747
local terms energy: -353.347791
where:
bonds (distance) C4'-P energy: -60.011
bonds (distance) P-C4' energy: -66.336
flat angles C4'-P-C4' energy: -75.897
flat angles P-C4'-P energy: -48.713
tors. eta vs tors. theta energy: -102.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 367
Temperature: 1.100000
Total energy: -1176.966785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1176.966785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1176.966785 (E_RNA)
where:
Base-Base interactions energy: -807.770
where: short stacking energy: -348.164
Base-Backbone interact. energy: 5.214
local terms energy: -374.410654
where:
bonds (distance) C4'-P energy: -73.684
bonds (distance) P-C4' energy: -80.170
flat angles C4'-P-C4' energy: -77.268
flat angles P-C4'-P energy: -57.731
tors. eta vs tors. theta energy: -85.557
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: 1
=====================================
Write number: 367
Temperature: 1.150000
Total energy: -1043.046979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1043.046979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1043.046979 (E_RNA)
where:
Base-Base interactions energy: -696.597
where: short stacking energy: -321.636
Base-Backbone interact. energy: -1.223
local terms energy: -345.227617
where:
bonds (distance) C4'-P energy: -77.014
bonds (distance) P-C4' energy: -55.316
flat angles C4'-P-C4' energy: -80.875
flat angles P-C4'-P energy: -48.363
tors. eta vs tors. theta energy: -83.659
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: 7, replica: 10
=====================================
Write number: 367
Temperature: 1.200000
Total energy: -891.295907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -891.295907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -891.295907 (E_RNA)
where:
Base-Base interactions energy: -587.628
where: short stacking energy: -247.074
Base-Backbone interact. energy: 3.253
local terms energy: -306.921552
where:
bonds (distance) C4'-P energy: -66.928
bonds (distance) P-C4' energy: -71.181
flat angles C4'-P-C4' energy: -66.288
flat angles P-C4'-P energy: -41.217
tors. eta vs tors. theta energy: -61.308
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: 8, replica: 8
=====================================
Write number: 367
Temperature: 1.250000
Total energy: -776.404995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -776.404995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -776.404995 (E_RNA)
where:
Base-Base interactions energy: -499.632
where: short stacking energy: -252.643
Base-Backbone interact. energy: -0.106
local terms energy: -276.667110
where:
bonds (distance) C4'-P energy: -65.916
bonds (distance) P-C4' energy: -56.912
flat angles C4'-P-C4' energy: -63.688
flat angles P-C4'-P energy: -31.684
tors. eta vs tors. theta energy: -58.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 367
Temperature: 1.300000
Total energy: -679.422685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -679.422685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -679.422685 (E_RNA)
where:
Base-Base interactions energy: -430.176
where: short stacking energy: -189.570
Base-Backbone interact. energy: 0.396
local terms energy: -249.643201
where:
bonds (distance) C4'-P energy: -59.740
bonds (distance) P-C4' energy: -63.366
flat angles C4'-P-C4' energy: -53.015
flat angles P-C4'-P energy: -48.303
tors. eta vs tors. theta energy: -25.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 367
Temperature: 1.350000
Total energy: -389.953168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.953168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.953168 (E_RNA)
where:
Base-Base interactions energy: -155.220
where: short stacking energy: -96.508
Base-Backbone interact. energy: -1.020
local terms energy: -233.712667
where:
bonds (distance) C4'-P energy: -76.463
bonds (distance) P-C4' energy: -69.351
flat angles C4'-P-C4' energy: -53.900
flat angles P-C4'-P energy: -33.449
tors. eta vs tors. theta energy: -0.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 368
Temperature: 0.900000
Total energy: -1394.428633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1394.428633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1394.428633 (E_RNA)
where:
Base-Base interactions energy: -985.069
where: short stacking energy: -394.827
Base-Backbone interact. energy: -2.061
local terms energy: -407.299353
where:
bonds (distance) C4'-P energy: -73.922
bonds (distance) P-C4' energy: -73.581
flat angles C4'-P-C4' energy: -94.430
flat angles P-C4'-P energy: -55.241
tors. eta vs tors. theta energy: -110.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 368
Temperature: 0.950000
Total energy: -1357.318630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1357.318630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1357.318630 (E_RNA)
where:
Base-Base interactions energy: -956.530
where: short stacking energy: -406.598
Base-Backbone interact. energy: -3.073
local terms energy: -397.715285
where:
bonds (distance) C4'-P energy: -70.017
bonds (distance) P-C4' energy: -75.640
flat angles C4'-P-C4' energy: -85.664
flat angles P-C4'-P energy: -57.866
tors. eta vs tors. theta energy: -108.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 368
Temperature: 1.000000
Total energy: -1304.090625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1304.090625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1304.090625 (E_RNA)
where:
Base-Base interactions energy: -925.831
where: short stacking energy: -397.096
Base-Backbone interact. energy: -1.432
local terms energy: -376.828127
where:
bonds (distance) C4'-P energy: -72.155
bonds (distance) P-C4' energy: -59.643
flat angles C4'-P-C4' energy: -86.896
flat angles P-C4'-P energy: -45.210
tors. eta vs tors. theta energy: -112.926
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: 4, replica: 9
=====================================
Write number: 368
Temperature: 1.050000
Total energy: -1292.993870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1292.993870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1292.993870 (E_RNA)
where:
Base-Base interactions energy: -907.835
where: short stacking energy: -388.531
Base-Backbone interact. energy: -2.012
local terms energy: -383.147008
where:
bonds (distance) C4'-P energy: -82.503
bonds (distance) P-C4' energy: -68.168
flat angles C4'-P-C4' energy: -74.698
flat angles P-C4'-P energy: -55.216
tors. eta vs tors. theta energy: -102.562
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: 4
=====================================
Write number: 368
Temperature: 1.100000
Total energy: -1171.791996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1171.791996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1171.791996 (E_RNA)
where:
Base-Base interactions energy: -795.256
where: short stacking energy: -333.375
Base-Backbone interact. energy: -2.080
local terms energy: -374.456768
where:
bonds (distance) C4'-P energy: -72.339
bonds (distance) P-C4' energy: -75.754
flat angles C4'-P-C4' energy: -83.013
flat angles P-C4'-P energy: -56.672
tors. eta vs tors. theta energy: -86.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 368
Temperature: 1.150000
Total energy: -1006.269224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1006.269224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1006.269224 (E_RNA)
where:
Base-Base interactions energy: -681.640
where: short stacking energy: -315.514
Base-Backbone interact. energy: 0.487
local terms energy: -325.116844
where:
bonds (distance) C4'-P energy: -61.819
bonds (distance) P-C4' energy: -66.239
flat angles C4'-P-C4' energy: -75.145
flat angles P-C4'-P energy: -45.624
tors. eta vs tors. theta energy: -76.290
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: 7, replica: 10
=====================================
Write number: 368
Temperature: 1.200000
Total energy: -923.998436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -923.998436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -923.998436 (E_RNA)
where:
Base-Base interactions energy: -620.617
where: short stacking energy: -286.467
Base-Backbone interact. energy: -1.166
local terms energy: -302.215733
where:
bonds (distance) C4'-P energy: -61.784
bonds (distance) P-C4' energy: -69.598
flat angles C4'-P-C4' energy: -63.659
flat angles P-C4'-P energy: -47.161
tors. eta vs tors. theta energy: -60.014
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: 8
=====================================
Write number: 368
Temperature: 1.250000
Total energy: -789.502447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -789.502447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -789.502447 (E_RNA)
where:
Base-Base interactions energy: -506.037
where: short stacking energy: -246.816
Base-Backbone interact. energy: 0.044
local terms energy: -283.509442
where:
bonds (distance) C4'-P energy: -59.144
bonds (distance) P-C4' energy: -73.165
flat angles C4'-P-C4' energy: -58.473
flat angles P-C4'-P energy: -51.145
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: 9, replica: 6
=====================================
Write number: 368
Temperature: 1.300000
Total energy: -598.017378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -598.017378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -598.017378 (E_RNA)
where:
Base-Base interactions energy: -345.297
where: short stacking energy: -170.264
Base-Backbone interact. energy: 1.845
local terms energy: -254.565702
where:
bonds (distance) C4'-P energy: -76.251
bonds (distance) P-C4' energy: -56.507
flat angles C4'-P-C4' energy: -72.008
flat angles P-C4'-P energy: -27.569
tors. eta vs tors. theta energy: -22.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 368
Temperature: 1.350000
Total energy: -418.981809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.981809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.981809 (E_RNA)
where:
Base-Base interactions energy: -206.158
where: short stacking energy: -118.320
Base-Backbone interact. energy: 0.266
local terms energy: -213.089654
where:
bonds (distance) C4'-P energy: -61.481
bonds (distance) P-C4' energy: -64.476
flat angles C4'-P-C4' energy: -61.706
flat angles P-C4'-P energy: -35.571
tors. eta vs tors. theta energy: 10.144
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: 7
=====================================
Write number: 369
Temperature: 0.900000
Total energy: -1374.849561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1374.849561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1374.849561 (E_RNA)
where:
Base-Base interactions energy: -977.721
where: short stacking energy: -394.740
Base-Backbone interact. energy: -2.454
local terms energy: -394.674321
where:
bonds (distance) C4'-P energy: -68.979
bonds (distance) P-C4' energy: -79.330
flat angles C4'-P-C4' energy: -80.411
flat angles P-C4'-P energy: -58.895
tors. eta vs tors. theta energy: -107.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 369
Temperature: 0.950000
Total energy: -1365.690197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1365.690197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1365.690197 (E_RNA)
where:
Base-Base interactions energy: -971.953
where: short stacking energy: -414.651
Base-Backbone interact. energy: -2.359
local terms energy: -391.377698
where:
bonds (distance) C4'-P energy: -66.046
bonds (distance) P-C4' energy: -63.165
flat angles C4'-P-C4' energy: -82.784
flat angles P-C4'-P energy: -65.404
tors. eta vs tors. theta energy: -113.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 369
Temperature: 1.000000
Total energy: -1269.809113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1269.809113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1269.809113 (E_RNA)
where:
Base-Base interactions energy: -860.705
where: short stacking energy: -388.072
Base-Backbone interact. energy: 0.103
local terms energy: -409.206827
where:
bonds (distance) C4'-P energy: -71.106
bonds (distance) P-C4' energy: -87.200
flat angles C4'-P-C4' energy: -78.989
flat angles P-C4'-P energy: -53.187
tors. eta vs tors. theta energy: -118.725
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: 9
=====================================
Write number: 369
Temperature: 1.050000
Total energy: -1257.193822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1257.193822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1257.193822 (E_RNA)
where:
Base-Base interactions energy: -889.068
where: short stacking energy: -356.307
Base-Backbone interact. energy: -0.230
local terms energy: -367.896640
where:
bonds (distance) C4'-P energy: -74.735
bonds (distance) P-C4' energy: -68.847
flat angles C4'-P-C4' energy: -78.799
flat angles P-C4'-P energy: -52.784
tors. eta vs tors. theta energy: -92.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 369
Temperature: 1.100000
Total energy: -1129.617522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1129.617522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1129.617522 (E_RNA)
where:
Base-Base interactions energy: -758.467
where: short stacking energy: -319.428
Base-Backbone interact. energy: -0.757
local terms energy: -370.393062
where:
bonds (distance) C4'-P energy: -72.934
bonds (distance) P-C4' energy: -82.614
flat angles C4'-P-C4' energy: -81.020
flat angles P-C4'-P energy: -47.280
tors. eta vs tors. theta energy: -86.545
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: 10
=====================================
Write number: 369
Temperature: 1.150000
Total energy: -966.956576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -966.956576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -966.956576 (E_RNA)
where:
Base-Base interactions energy: -666.854
where: short stacking energy: -275.093
Base-Backbone interact. energy: -0.966
local terms energy: -299.135918
where:
bonds (distance) C4'-P energy: -64.488
bonds (distance) P-C4' energy: -61.621
flat angles C4'-P-C4' energy: -70.694
flat angles P-C4'-P energy: -45.429
tors. eta vs tors. theta energy: -56.905
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: 369
Temperature: 1.200000
Total energy: -1019.651142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1019.651142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1019.651142 (E_RNA)
where:
Base-Base interactions energy: -702.323
where: short stacking energy: -295.434
Base-Backbone interact. energy: -1.199
local terms energy: -316.128703
where:
bonds (distance) C4'-P energy: -50.648
bonds (distance) P-C4' energy: -74.237
flat angles C4'-P-C4' energy: -68.066
flat angles P-C4'-P energy: -48.271
tors. eta vs tors. theta energy: -74.906
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: 8
=====================================
Write number: 369
Temperature: 1.250000
Total energy: -755.836807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -755.836807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -755.836807 (E_RNA)
where:
Base-Base interactions energy: -465.764
where: short stacking energy: -211.989
Base-Backbone interact. energy: 0.835
local terms energy: -290.907436
where:
bonds (distance) C4'-P energy: -72.630
bonds (distance) P-C4' energy: -58.574
flat angles C4'-P-C4' energy: -67.140
flat angles P-C4'-P energy: -40.782
tors. eta vs tors. theta energy: -51.781
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: 6
=====================================
Write number: 369
Temperature: 1.300000
Total energy: -645.610806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -645.610806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -645.610806 (E_RNA)
where:
Base-Base interactions energy: -406.548
where: short stacking energy: -171.611
Base-Backbone interact. energy: -1.183
local terms energy: -237.879625
where:
bonds (distance) C4'-P energy: -58.755
bonds (distance) P-C4' energy: -60.906
flat angles C4'-P-C4' energy: -66.540
flat angles P-C4'-P energy: -33.015
tors. eta vs tors. theta energy: -18.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 369
Temperature: 1.350000
Total energy: -518.136515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.136515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.136515 (E_RNA)
where:
Base-Base interactions energy: -287.764
where: short stacking energy: -133.276
Base-Backbone interact. energy: 0.153
local terms energy: -230.525548
where:
bonds (distance) C4'-P energy: -70.386
bonds (distance) P-C4' energy: -74.486
flat angles C4'-P-C4' energy: -41.800
flat angles P-C4'-P energy: -21.800
tors. eta vs tors. theta energy: -22.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 370
Temperature: 0.900000
Total energy: -1382.946860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1382.946860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1382.946860 (E_RNA)
where:
Base-Base interactions energy: -981.668
where: short stacking energy: -400.690
Base-Backbone interact. energy: -2.010
local terms energy: -399.269360
where:
bonds (distance) C4'-P energy: -74.501
bonds (distance) P-C4' energy: -73.315
flat angles C4'-P-C4' energy: -86.224
flat angles P-C4'-P energy: -55.833
tors. eta vs tors. theta energy: -109.397
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: 5
=====================================
Write number: 370
Temperature: 0.950000
Total energy: -1341.131678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1341.131678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1341.131678 (E_RNA)
where:
Base-Base interactions energy: -930.957
where: short stacking energy: -381.742
Base-Backbone interact. energy: -0.843
local terms energy: -409.330962
where:
bonds (distance) C4'-P energy: -67.409
bonds (distance) P-C4' energy: -88.372
flat angles C4'-P-C4' energy: -82.654
flat angles P-C4'-P energy: -57.483
tors. eta vs tors. theta energy: -113.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 370
Temperature: 1.000000
Total energy: -1267.577908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1267.577908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1267.577908 (E_RNA)
where:
Base-Base interactions energy: -869.641
where: short stacking energy: -384.785
Base-Backbone interact. energy: -1.666
local terms energy: -396.271458
where:
bonds (distance) C4'-P energy: -68.943
bonds (distance) P-C4' energy: -68.765
flat angles C4'-P-C4' energy: -84.783
flat angles P-C4'-P energy: -61.222
tors. eta vs tors. theta energy: -112.559
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: 9
=====================================
Write number: 370
Temperature: 1.050000
Total energy: -1230.253340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1230.253340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1230.253340 (E_RNA)
where:
Base-Base interactions energy: -881.885
where: short stacking energy: -361.248
Base-Backbone interact. energy: 1.052
local terms energy: -349.420830
where:
bonds (distance) C4'-P energy: -65.196
bonds (distance) P-C4' energy: -68.460
flat angles C4'-P-C4' energy: -73.955
flat angles P-C4'-P energy: -43.556
tors. eta vs tors. theta energy: -98.253
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: 4
=====================================
Write number: 370
Temperature: 1.100000
Total energy: -1130.547129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1130.547129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1130.547129 (E_RNA)
where:
Base-Base interactions energy: -778.111
where: short stacking energy: -335.061
Base-Backbone interact. energy: -0.745
local terms energy: -351.691129
where:
bonds (distance) C4'-P energy: -77.729
bonds (distance) P-C4' energy: -59.683
flat angles C4'-P-C4' energy: -71.044
flat angles P-C4'-P energy: -47.045
tors. eta vs tors. theta energy: -96.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 370
Temperature: 1.150000
Total energy: -1000.578228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1000.578228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1000.578228 (E_RNA)
where:
Base-Base interactions energy: -689.204
where: short stacking energy: -285.650
Base-Backbone interact. energy: -2.471
local terms energy: -310.480603
where:
bonds (distance) C4'-P energy: -68.820
bonds (distance) P-C4' energy: -62.793
flat angles C4'-P-C4' energy: -67.787
flat angles P-C4'-P energy: -47.574
tors. eta vs tors. theta energy: -63.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.577 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 370
Temperature: 1.200000
Total energy: -989.510274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -989.510274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -989.510274 (E_RNA)
where:
Base-Base interactions energy: -651.390
where: short stacking energy: -287.885
Base-Backbone interact. energy: -1.837
local terms energy: -336.283021
where:
bonds (distance) C4'-P energy: -77.468
bonds (distance) P-C4' energy: -68.266
flat angles C4'-P-C4' energy: -63.868
flat angles P-C4'-P energy: -53.786
tors. eta vs tors. theta energy: -72.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 370
Temperature: 1.250000
Total energy: -729.617258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -729.617258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -729.617258 (E_RNA)
where:
Base-Base interactions energy: -461.468
where: short stacking energy: -198.511
Base-Backbone interact. energy: 0.171
local terms energy: -268.321037
where:
bonds (distance) C4'-P energy: -67.882
bonds (distance) P-C4' energy: -65.008
flat angles C4'-P-C4' energy: -79.010
flat angles P-C4'-P energy: -30.669
tors. eta vs tors. theta energy: -25.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 370
Temperature: 1.300000
Total energy: -574.331712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -574.331712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -574.331712 (E_RNA)
where:
Base-Base interactions energy: -325.970
where: short stacking energy: -155.071
Base-Backbone interact. energy: -1.814
local terms energy: -246.547515
where:
bonds (distance) C4'-P energy: -58.823
bonds (distance) P-C4' energy: -74.473
flat angles C4'-P-C4' energy: -61.300
flat angles P-C4'-P energy: -43.301
tors. eta vs tors. theta energy: -8.650
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: 10, replica: 2
=====================================
Write number: 370
Temperature: 1.350000
Total energy: -501.155106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.155106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.155106 (E_RNA)
where:
Base-Base interactions energy: -271.865
where: short stacking energy: -125.060
Base-Backbone interact. energy: 0.864
local terms energy: -230.153262
where:
bonds (distance) C4'-P energy: -65.578
bonds (distance) P-C4' energy: -70.290
flat angles C4'-P-C4' energy: -59.366
flat angles P-C4'-P energy: -31.149
tors. eta vs tors. theta energy: -3.769
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: 7
=====================================
Write number: 371
Temperature: 0.900000
Total energy: -1382.491221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1382.491221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1382.491221 (E_RNA)
where:
Base-Base interactions energy: -971.454
where: short stacking energy: -394.412
Base-Backbone interact. energy: -0.954
local terms energy: -410.083061
where:
bonds (distance) C4'-P energy: -74.976
bonds (distance) P-C4' energy: -80.673
flat angles C4'-P-C4' energy: -79.061
flat angles P-C4'-P energy: -65.257
tors. eta vs tors. theta energy: -110.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 371
Temperature: 0.950000
Total energy: -1338.876189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1338.876189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1338.876189 (E_RNA)
where:
Base-Base interactions energy: -934.777
where: short stacking energy: -398.858
Base-Backbone interact. energy: -3.471
local terms energy: -400.628520
where:
bonds (distance) C4'-P energy: -68.044
bonds (distance) P-C4' energy: -75.935
flat angles C4'-P-C4' energy: -84.952
flat angles P-C4'-P energy: -55.696
tors. eta vs tors. theta energy: -116.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 371
Temperature: 1.000000
Total energy: -1251.268061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1251.268061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1251.268061 (E_RNA)
where:
Base-Base interactions energy: -851.497
where: short stacking energy: -355.677
Base-Backbone interact. energy: -0.975
local terms energy: -398.795653
where:
bonds (distance) C4'-P energy: -86.877
bonds (distance) P-C4' energy: -73.651
flat angles C4'-P-C4' energy: -87.886
flat angles P-C4'-P energy: -49.353
tors. eta vs tors. theta energy: -101.028
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: 9
=====================================
Write number: 371
Temperature: 1.050000
Total energy: -1239.770016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1239.770016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1239.770016 (E_RNA)
where:
Base-Base interactions energy: -873.908
where: short stacking energy: -339.104
Base-Backbone interact. energy: 2.446
local terms energy: -368.307941
where:
bonds (distance) C4'-P energy: -79.957
bonds (distance) P-C4' energy: -69.701
flat angles C4'-P-C4' energy: -70.611
flat angles P-C4'-P energy: -49.760
tors. eta vs tors. theta energy: -98.280
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: 4
=====================================
Write number: 371
Temperature: 1.100000
Total energy: -1163.742482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1163.742482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1163.742482 (E_RNA)
where:
Base-Base interactions energy: -779.300
where: short stacking energy: -343.957
Base-Backbone interact. energy: -3.578
local terms energy: -380.864635
where:
bonds (distance) C4'-P energy: -75.789
bonds (distance) P-C4' energy: -74.796
flat angles C4'-P-C4' energy: -79.264
flat angles P-C4'-P energy: -53.235
tors. eta vs tors. theta energy: -97.780
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: 1
=====================================
Write number: 371
Temperature: 1.150000
Total energy: -1049.670714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1049.670714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1049.670714 (E_RNA)
where:
Base-Base interactions energy: -705.313
where: short stacking energy: -309.362
Base-Backbone interact. energy: -1.318
local terms energy: -343.039506
where:
bonds (distance) C4'-P energy: -60.963
bonds (distance) P-C4' energy: -76.649
flat angles C4'-P-C4' energy: -80.698
flat angles P-C4'-P energy: -40.194
tors. eta vs tors. theta energy: -84.535
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: 10
=====================================
Write number: 371
Temperature: 1.200000
Total energy: -1008.385588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1008.385588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1008.385588 (E_RNA)
where:
Base-Base interactions energy: -707.571
where: short stacking energy: -273.078
Base-Backbone interact. energy: -3.368
local terms energy: -297.446340
where:
bonds (distance) C4'-P energy: -60.303
bonds (distance) P-C4' energy: -68.978
flat angles C4'-P-C4' energy: -61.346
flat angles P-C4'-P energy: -47.616
tors. eta vs tors. theta energy: -59.204
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: 8, replica: 8
=====================================
Write number: 371
Temperature: 1.250000
Total energy: -780.649233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -780.649233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -780.649233 (E_RNA)
where:
Base-Base interactions energy: -492.497
where: short stacking energy: -239.813
Base-Backbone interact. energy: -0.056
local terms energy: -288.096206
where:
bonds (distance) C4'-P energy: -66.889
bonds (distance) P-C4' energy: -57.956
flat angles C4'-P-C4' energy: -75.731
flat angles P-C4'-P energy: -39.339
tors. eta vs tors. theta energy: -48.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 371
Temperature: 1.300000
Total energy: -595.967607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -595.967607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -595.967607 (E_RNA)
where:
Base-Base interactions energy: -342.041
where: short stacking energy: -159.949
Base-Backbone interact. energy: -0.938
local terms energy: -252.988748
where:
bonds (distance) C4'-P energy: -55.426
bonds (distance) P-C4' energy: -65.241
flat angles C4'-P-C4' energy: -71.460
flat angles P-C4'-P energy: -34.009
tors. eta vs tors. theta energy: -26.852
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: 2
=====================================
Write number: 371
Temperature: 1.350000
Total energy: -511.935524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.935524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.935524 (E_RNA)
where:
Base-Base interactions energy: -284.651
where: short stacking energy: -159.831
Base-Backbone interact. energy: 0.234
local terms energy: -227.518328
where:
bonds (distance) C4'-P energy: -52.203
bonds (distance) P-C4' energy: -67.338
flat angles C4'-P-C4' energy: -62.979
flat angles P-C4'-P energy: -22.572
tors. eta vs tors. theta energy: -22.425
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: 7
=====================================
Write number: 372
Temperature: 0.900000
Total energy: -1378.641723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1378.641723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1378.641723 (E_RNA)
where:
Base-Base interactions energy: -952.430
where: short stacking energy: -418.574
Base-Backbone interact. energy: -1.896
local terms energy: -424.315379
where:
bonds (distance) C4'-P energy: -72.871
bonds (distance) P-C4' energy: -72.629
flat angles C4'-P-C4' energy: -92.792
flat angles P-C4'-P energy: -62.372
tors. eta vs tors. theta energy: -123.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 372
Temperature: 0.950000
Total energy: -1326.616184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1326.616184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1326.616184 (E_RNA)
where:
Base-Base interactions energy: -907.830
where: short stacking energy: -386.399
Base-Backbone interact. energy: -4.537
local terms energy: -414.249492
where:
bonds (distance) C4'-P energy: -72.477
bonds (distance) P-C4' energy: -80.761
flat angles C4'-P-C4' energy: -84.213
flat angles P-C4'-P energy: -62.489
tors. eta vs tors. theta energy: -114.310
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: 3, replica: 3
=====================================
Write number: 372
Temperature: 1.000000
Total energy: -1233.147218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1233.147218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1233.147218 (E_RNA)
where:
Base-Base interactions energy: -855.242
where: short stacking energy: -350.862
Base-Backbone interact. energy: -0.497
local terms energy: -377.407318
where:
bonds (distance) C4'-P energy: -71.040
bonds (distance) P-C4' energy: -89.069
flat angles C4'-P-C4' energy: -74.963
flat angles P-C4'-P energy: -48.156
tors. eta vs tors. theta energy: -94.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 372
Temperature: 1.050000
Total energy: -1243.766219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1243.766219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1243.766219 (E_RNA)
where:
Base-Base interactions energy: -870.509
where: short stacking energy: -373.964
Base-Backbone interact. energy: 1.132
local terms energy: -374.388771
where:
bonds (distance) C4'-P energy: -63.333
bonds (distance) P-C4' energy: -82.361
flat angles C4'-P-C4' energy: -80.975
flat angles P-C4'-P energy: -38.657
tors. eta vs tors. theta energy: -109.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 372
Temperature: 1.100000
Total energy: -1159.799706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1159.799706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1159.799706 (E_RNA)
where:
Base-Base interactions energy: -786.798
where: short stacking energy: -343.907
Base-Backbone interact. energy: -0.631
local terms energy: -372.369968
where:
bonds (distance) C4'-P energy: -78.214
bonds (distance) P-C4' energy: -65.851
flat angles C4'-P-C4' energy: -85.280
flat angles P-C4'-P energy: -47.407
tors. eta vs tors. theta energy: -95.617
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: 6, replica: 1
=====================================
Write number: 372
Temperature: 1.150000
Total energy: -1060.992776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1060.992776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1060.992776 (E_RNA)
where:
Base-Base interactions energy: -706.051
where: short stacking energy: -319.223
Base-Backbone interact. energy: -0.699
local terms energy: -354.242687
where:
bonds (distance) C4'-P energy: -58.477
bonds (distance) P-C4' energy: -83.192
flat angles C4'-P-C4' energy: -72.792
flat angles P-C4'-P energy: -51.729
tors. eta vs tors. theta energy: -88.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 372
Temperature: 1.200000
Total energy: -944.023045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -944.023045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -944.023045 (E_RNA)
where:
Base-Base interactions energy: -641.032
where: short stacking energy: -265.415
Base-Backbone interact. energy: -3.541
local terms energy: -299.449630
where:
bonds (distance) C4'-P energy: -54.528
bonds (distance) P-C4' energy: -63.409
flat angles C4'-P-C4' energy: -78.130
flat angles P-C4'-P energy: -45.250
tors. eta vs tors. theta energy: -58.134
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: 8
=====================================
Write number: 372
Temperature: 1.250000
Total energy: -773.031234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -773.031234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -773.031234 (E_RNA)
where:
Base-Base interactions energy: -457.995
where: short stacking energy: -205.025
Base-Backbone interact. energy: -0.580
local terms energy: -314.456051
where:
bonds (distance) C4'-P energy: -58.034
bonds (distance) P-C4' energy: -75.344
flat angles C4'-P-C4' energy: -71.337
flat angles P-C4'-P energy: -57.860
tors. eta vs tors. theta energy: -51.881
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: 6
=====================================
Write number: 372
Temperature: 1.300000
Total energy: -611.218838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -611.218838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -611.218838 (E_RNA)
where:
Base-Base interactions energy: -326.756
where: short stacking energy: -166.600
Base-Backbone interact. energy: -1.318
local terms energy: -283.145568
where:
bonds (distance) C4'-P energy: -65.742
bonds (distance) P-C4' energy: -75.024
flat angles C4'-P-C4' energy: -79.040
flat angles P-C4'-P energy: -37.621
tors. eta vs tors. theta energy: -25.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 372
Temperature: 1.350000
Total energy: -536.295734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.295734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.295734 (E_RNA)
where:
Base-Base interactions energy: -304.355
where: short stacking energy: -156.698
Base-Backbone interact. energy: 1.721
local terms energy: -233.661782
where:
bonds (distance) C4'-P energy: -53.320
bonds (distance) P-C4' energy: -61.015
flat angles C4'-P-C4' energy: -52.011
flat angles P-C4'-P energy: -45.377
tors. eta vs tors. theta energy: -21.939
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: 1, replica: 7
=====================================
Write number: 373
Temperature: 0.900000
Total energy: -1388.554478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1388.554478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1388.554478 (E_RNA)
where:
Base-Base interactions energy: -971.314
where: short stacking energy: -392.980
Base-Backbone interact. energy: -0.604
local terms energy: -416.636714
where:
bonds (distance) C4'-P energy: -73.242
bonds (distance) P-C4' energy: -84.843
flat angles C4'-P-C4' energy: -86.367
flat angles P-C4'-P energy: -61.881
tors. eta vs tors. theta energy: -110.304
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: 5
=====================================
Write number: 373
Temperature: 0.950000
Total energy: -1335.869929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1335.869929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1335.869929 (E_RNA)
where:
Base-Base interactions energy: -925.322
where: short stacking energy: -405.904
Base-Backbone interact. energy: -0.540
local terms energy: -410.007658
where:
bonds (distance) C4'-P energy: -77.774
bonds (distance) P-C4' energy: -73.328
flat angles C4'-P-C4' energy: -86.791
flat angles P-C4'-P energy: -55.331
tors. eta vs tors. theta energy: -116.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 373
Temperature: 1.000000
Total energy: -1275.996024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1275.996024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1275.996024 (E_RNA)
where:
Base-Base interactions energy: -860.631
where: short stacking energy: -362.437
Base-Backbone interact. energy: -1.483
local terms energy: -413.882075
where:
bonds (distance) C4'-P energy: -73.623
bonds (distance) P-C4' energy: -87.722
flat angles C4'-P-C4' energy: -80.166
flat angles P-C4'-P energy: -57.979
tors. eta vs tors. theta energy: -114.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 373
Temperature: 1.050000
Total energy: -1231.040827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1231.040827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1231.040827 (E_RNA)
where:
Base-Base interactions energy: -849.007
where: short stacking energy: -363.441
Base-Backbone interact. energy: -1.261
local terms energy: -380.772896
where:
bonds (distance) C4'-P energy: -70.528
bonds (distance) P-C4' energy: -83.376
flat angles C4'-P-C4' energy: -77.952
flat angles P-C4'-P energy: -46.174
tors. eta vs tors. theta energy: -102.743
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: 4
=====================================
Write number: 373
Temperature: 1.100000
Total energy: -1140.261023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1140.261023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1140.261023 (E_RNA)
where:
Base-Base interactions energy: -804.148
where: short stacking energy: -349.006
Base-Backbone interact. energy: -1.903
local terms energy: -334.210027
where:
bonds (distance) C4'-P energy: -63.583
bonds (distance) P-C4' energy: -71.984
flat angles C4'-P-C4' energy: -70.786
flat angles P-C4'-P energy: -41.605
tors. eta vs tors. theta energy: -86.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 373
Temperature: 1.150000
Total energy: -1127.112964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1127.112964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1127.112964 (E_RNA)
where:
Base-Base interactions energy: -773.188
where: short stacking energy: -346.991
Base-Backbone interact. energy: -0.269
local terms energy: -353.656480
where:
bonds (distance) C4'-P energy: -62.694
bonds (distance) P-C4' energy: -56.006
flat angles C4'-P-C4' energy: -82.400
flat angles P-C4'-P energy: -51.289
tors. eta vs tors. theta energy: -101.268
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: 10
=====================================
Write number: 373
Temperature: 1.200000
Total energy: -998.453793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -998.453793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -998.453793 (E_RNA)
where:
Base-Base interactions energy: -678.461
where: short stacking energy: -289.159
Base-Backbone interact. energy: 2.179
local terms energy: -322.171578
where:
bonds (distance) C4'-P energy: -67.684
bonds (distance) P-C4' energy: -70.594
flat angles C4'-P-C4' energy: -66.515
flat angles P-C4'-P energy: -41.370
tors. eta vs tors. theta energy: -76.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 373
Temperature: 1.250000
Total energy: -782.398013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -782.398013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -782.398013 (E_RNA)
where:
Base-Base interactions energy: -496.256
where: short stacking energy: -245.879
Base-Backbone interact. energy: -1.945
local terms energy: -284.196882
where:
bonds (distance) C4'-P energy: -65.409
bonds (distance) P-C4' energy: -66.543
flat angles C4'-P-C4' energy: -62.753
flat angles P-C4'-P energy: -42.461
tors. eta vs tors. theta energy: -47.031
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: 6
=====================================
Write number: 373
Temperature: 1.300000
Total energy: -572.357380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -572.357380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -572.357380 (E_RNA)
where:
Base-Base interactions energy: -318.449
where: short stacking energy: -163.573
Base-Backbone interact. energy: -0.626
local terms energy: -253.282228
where:
bonds (distance) C4'-P energy: -64.953
bonds (distance) P-C4' energy: -66.334
flat angles C4'-P-C4' energy: -61.331
flat angles P-C4'-P energy: -45.833
tors. eta vs tors. theta energy: -14.831
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: 2
=====================================
Write number: 373
Temperature: 1.350000
Total energy: -498.666132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.666132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.666132 (E_RNA)
where:
Base-Base interactions energy: -271.361
where: short stacking energy: -139.658
Base-Backbone interact. energy: -0.231
local terms energy: -227.074199
where:
bonds (distance) C4'-P energy: -71.423
bonds (distance) P-C4' energy: -64.728
flat angles C4'-P-C4' energy: -35.843
flat angles P-C4'-P energy: -48.633
tors. eta vs tors. theta energy: -6.447
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: 5
=====================================
Write number: 374
Temperature: 0.900000
Total energy: -1391.966088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1391.966088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1391.966088 (E_RNA)
where:
Base-Base interactions energy: -956.684
where: short stacking energy: -434.577
Base-Backbone interact. energy: -4.323
local terms energy: -430.958732
where:
bonds (distance) C4'-P energy: -79.400
bonds (distance) P-C4' energy: -77.637
flat angles C4'-P-C4' energy: -92.725
flat angles P-C4'-P energy: -52.730
tors. eta vs tors. theta energy: -128.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 374
Temperature: 0.950000
Total energy: -1368.399692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1368.399692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1368.399692 (E_RNA)
where:
Base-Base interactions energy: -953.570
where: short stacking energy: -409.182
Base-Backbone interact. energy: -0.409
local terms energy: -414.420736
where:
bonds (distance) C4'-P energy: -69.736
bonds (distance) P-C4' energy: -73.558
flat angles C4'-P-C4' energy: -91.018
flat angles P-C4'-P energy: -62.233
tors. eta vs tors. theta energy: -117.876
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 374
Temperature: 1.000000
Total energy: -1238.707595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1238.707595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1238.707595 (E_RNA)
where:
Base-Base interactions energy: -851.724
where: short stacking energy: -360.983
Base-Backbone interact. energy: 0.381
local terms energy: -387.364066
where:
bonds (distance) C4'-P energy: -68.839
bonds (distance) P-C4' energy: -76.686
flat angles C4'-P-C4' energy: -85.383
flat angles P-C4'-P energy: -57.851
tors. eta vs tors. theta energy: -98.605
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: 374
Temperature: 1.050000
Total energy: -1239.039635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1239.039635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1239.039635 (E_RNA)
where:
Base-Base interactions energy: -849.295
where: short stacking energy: -352.663
Base-Backbone interact. energy: -1.811
local terms energy: -387.933235
where:
bonds (distance) C4'-P energy: -72.938
bonds (distance) P-C4' energy: -63.924
flat angles C4'-P-C4' energy: -83.333
flat angles P-C4'-P energy: -63.679
tors. eta vs tors. theta energy: -104.059
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: 4
=====================================
Write number: 374
Temperature: 1.100000
Total energy: -1112.342216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1112.342216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1112.342216 (E_RNA)
where:
Base-Base interactions energy: -782.196
where: short stacking energy: -331.087
Base-Backbone interact. energy: 0.107
local terms energy: -330.253538
where:
bonds (distance) C4'-P energy: -70.327
bonds (distance) P-C4' energy: -58.196
flat angles C4'-P-C4' energy: -75.577
flat angles P-C4'-P energy: -45.375
tors. eta vs tors. theta energy: -80.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 374
Temperature: 1.150000
Total energy: -1105.569887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1105.569887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1105.569887 (E_RNA)
where:
Base-Base interactions energy: -779.007
where: short stacking energy: -330.824
Base-Backbone interact. energy: -0.618
local terms energy: -325.945182
where:
bonds (distance) C4'-P energy: -66.464
bonds (distance) P-C4' energy: -63.222
flat angles C4'-P-C4' energy: -76.165
flat angles P-C4'-P energy: -37.280
tors. eta vs tors. theta energy: -82.815
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: 10
=====================================
Write number: 374
Temperature: 1.200000
Total energy: -995.700177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -995.700177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -995.700177 (E_RNA)
where:
Base-Base interactions energy: -687.468
where: short stacking energy: -281.217
Base-Backbone interact. energy: -1.148
local terms energy: -307.083889
where:
bonds (distance) C4'-P energy: -60.271
bonds (distance) P-C4' energy: -64.505
flat angles C4'-P-C4' energy: -70.787
flat angles P-C4'-P energy: -39.424
tors. eta vs tors. theta energy: -72.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 374
Temperature: 1.250000
Total energy: -737.560273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -737.560273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -737.560273 (E_RNA)
where:
Base-Base interactions energy: -451.411
where: short stacking energy: -209.801
Base-Backbone interact. energy: -0.387
local terms energy: -285.762787
where:
bonds (distance) C4'-P energy: -59.156
bonds (distance) P-C4' energy: -73.419
flat angles C4'-P-C4' energy: -59.118
flat angles P-C4'-P energy: -54.420
tors. eta vs tors. theta energy: -39.650
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: 9, replica: 6
=====================================
Write number: 374
Temperature: 1.300000
Total energy: -596.587097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -596.587097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -596.587097 (E_RNA)
where:
Base-Base interactions energy: -359.342
where: short stacking energy: -162.300
Base-Backbone interact. energy: 6.861
local terms energy: -244.106202
where:
bonds (distance) C4'-P energy: -55.368
bonds (distance) P-C4' energy: -66.759
flat angles C4'-P-C4' energy: -59.701
flat angles P-C4'-P energy: -37.060
tors. eta vs tors. theta energy: -25.218
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: 2
=====================================
Write number: 374
Temperature: 1.350000
Total energy: -581.310469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -581.310469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -581.310469 (E_RNA)
where:
Base-Base interactions energy: -339.174
where: short stacking energy: -160.824
Base-Backbone interact. energy: 3.390
local terms energy: -245.525907
where:
bonds (distance) C4'-P energy: -61.230
bonds (distance) P-C4' energy: -74.153
flat angles C4'-P-C4' energy: -65.677
flat angles P-C4'-P energy: -26.929
tors. eta vs tors. theta energy: -17.537
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: 1, replica: 5
=====================================
Write number: 375
Temperature: 0.900000
Total energy: -1361.631246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1361.631246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1361.631246 (E_RNA)
where:
Base-Base interactions energy: -949.486
where: short stacking energy: -397.300
Base-Backbone interact. energy: -2.759
local terms energy: -409.385932
where:
bonds (distance) C4'-P energy: -68.830
bonds (distance) P-C4' energy: -73.947
flat angles C4'-P-C4' energy: -86.610
flat angles P-C4'-P energy: -66.509
tors. eta vs tors. theta energy: -113.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 375
Temperature: 0.950000
Total energy: -1347.932742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1347.932742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1347.932742 (E_RNA)
where:
Base-Base interactions energy: -939.802
where: short stacking energy: -405.453
Base-Backbone interact. energy: -1.759
local terms energy: -406.371745
where:
bonds (distance) C4'-P energy: -78.985
bonds (distance) P-C4' energy: -75.058
flat angles C4'-P-C4' energy: -85.494
flat angles P-C4'-P energy: -57.612
tors. eta vs tors. theta energy: -109.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 375
Temperature: 1.000000
Total energy: -1250.156733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1250.156733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1250.156733 (E_RNA)
where:
Base-Base interactions energy: -886.311
where: short stacking energy: -382.839
Base-Backbone interact. energy: 0.926
local terms energy: -364.772075
where:
bonds (distance) C4'-P energy: -63.038
bonds (distance) P-C4' energy: -77.312
flat angles C4'-P-C4' energy: -71.086
flat angles P-C4'-P energy: -51.009
tors. eta vs tors. theta energy: -102.328
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: 4, replica: 3
=====================================
Write number: 375
Temperature: 1.050000
Total energy: -1248.515816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1248.515816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1248.515816 (E_RNA)
where:
Base-Base interactions energy: -872.460
where: short stacking energy: -355.503
Base-Backbone interact. energy: -0.485
local terms energy: -375.570293
where:
bonds (distance) C4'-P energy: -69.636
bonds (distance) P-C4' energy: -67.087
flat angles C4'-P-C4' energy: -84.578
flat angles P-C4'-P energy: -54.495
tors. eta vs tors. theta energy: -99.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 375
Temperature: 1.100000
Total energy: -1129.186530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1129.186530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1129.186530 (E_RNA)
where:
Base-Base interactions energy: -772.666
where: short stacking energy: -325.670
Base-Backbone interact. energy: -3.360
local terms energy: -353.160829
where:
bonds (distance) C4'-P energy: -60.328
bonds (distance) P-C4' energy: -79.189
flat angles C4'-P-C4' energy: -69.403
flat angles P-C4'-P energy: -49.030
tors. eta vs tors. theta energy: -95.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 375
Temperature: 1.150000
Total energy: -1113.332137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1113.332137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1113.332137 (E_RNA)
where:
Base-Base interactions energy: -755.392
where: short stacking energy: -340.619
Base-Backbone interact. energy: -1.197
local terms energy: -356.743061
where:
bonds (distance) C4'-P energy: -66.748
bonds (distance) P-C4' energy: -69.810
flat angles C4'-P-C4' energy: -82.725
flat angles P-C4'-P energy: -40.882
tors. eta vs tors. theta energy: -96.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 375
Temperature: 1.200000
Total energy: -996.162658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -996.162658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -996.162658 (E_RNA)
where:
Base-Base interactions energy: -695.174
where: short stacking energy: -280.801
Base-Backbone interact. energy: -2.858
local terms energy: -298.130105
where:
bonds (distance) C4'-P energy: -60.798
bonds (distance) P-C4' energy: -56.610
flat angles C4'-P-C4' energy: -71.843
flat angles P-C4'-P energy: -37.232
tors. eta vs tors. theta energy: -71.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 375
Temperature: 1.250000
Total energy: -655.838982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -655.838982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -655.838982 (E_RNA)
where:
Base-Base interactions energy: -389.424
where: short stacking energy: -186.817
Base-Backbone interact. energy: -1.771
local terms energy: -264.643768
where:
bonds (distance) C4'-P energy: -61.494
bonds (distance) P-C4' energy: -59.793
flat angles C4'-P-C4' energy: -74.287
flat angles P-C4'-P energy: -30.208
tors. eta vs tors. theta energy: -38.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 375
Temperature: 1.300000
Total energy: -683.048435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -683.048435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -683.048435 (E_RNA)
where:
Base-Base interactions energy: -407.455
where: short stacking energy: -203.904
Base-Backbone interact. energy: -0.597
local terms energy: -274.996027
where:
bonds (distance) C4'-P energy: -62.025
bonds (distance) P-C4' energy: -76.556
flat angles C4'-P-C4' energy: -57.918
flat angles P-C4'-P energy: -38.559
tors. eta vs tors. theta energy: -39.938
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: 2
=====================================
Write number: 375
Temperature: 1.350000
Total energy: -581.188638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -581.188638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -581.188638 (E_RNA)
where:
Base-Base interactions energy: -340.587
where: short stacking energy: -155.275
Base-Backbone interact. energy: -1.531
local terms energy: -239.070324
where:
bonds (distance) C4'-P energy: -54.984
bonds (distance) P-C4' energy: -59.881
flat angles C4'-P-C4' energy: -61.738
flat angles P-C4'-P energy: -41.315
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: 1, replica: 5
=====================================
Write number: 376
Temperature: 0.900000
Total energy: -1383.435136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1383.435136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1383.435136 (E_RNA)
where:
Base-Base interactions energy: -948.067
where: short stacking energy: -390.377
Base-Backbone interact. energy: -1.620
local terms energy: -433.748163
where:
bonds (distance) C4'-P energy: -76.735
bonds (distance) P-C4' energy: -83.982
flat angles C4'-P-C4' energy: -92.488
flat angles P-C4'-P energy: -58.778
tors. eta vs tors. theta energy: -121.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 376
Temperature: 0.950000
Total energy: -1353.694506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1353.694506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1353.694506 (E_RNA)
where:
Base-Base interactions energy: -944.422
where: short stacking energy: -405.256
Base-Backbone interact. energy: -2.211
local terms energy: -407.061525
where:
bonds (distance) C4'-P energy: -62.357
bonds (distance) P-C4' energy: -76.655
flat angles C4'-P-C4' energy: -93.009
flat angles P-C4'-P energy: -68.826
tors. eta vs tors. theta energy: -106.215
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: 376
Temperature: 1.000000
Total energy: -1257.677106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1257.677106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1257.677106 (E_RNA)
where:
Base-Base interactions energy: -858.099
where: short stacking energy: -361.851
Base-Backbone interact. energy: -0.574
local terms energy: -399.004180
where:
bonds (distance) C4'-P energy: -76.522
bonds (distance) P-C4' energy: -73.520
flat angles C4'-P-C4' energy: -85.237
flat angles P-C4'-P energy: -62.012
tors. eta vs tors. theta energy: -101.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 376
Temperature: 1.050000
Total energy: -1234.509373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1234.509373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1234.509373 (E_RNA)
where:
Base-Base interactions energy: -867.621
where: short stacking energy: -346.465
Base-Backbone interact. energy: 3.731
local terms energy: -370.619058
where:
bonds (distance) C4'-P energy: -82.703
bonds (distance) P-C4' energy: -73.933
flat angles C4'-P-C4' energy: -75.609
flat angles P-C4'-P energy: -45.889
tors. eta vs tors. theta energy: -92.486
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: 4
=====================================
Write number: 376
Temperature: 1.100000
Total energy: -1126.747140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1126.747140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1126.747140 (E_RNA)
where:
Base-Base interactions energy: -789.199
where: short stacking energy: -327.193
Base-Backbone interact. energy: -4.161
local terms energy: -333.387028
where:
bonds (distance) C4'-P energy: -75.081
bonds (distance) P-C4' energy: -64.588
flat angles C4'-P-C4' energy: -79.346
flat angles P-C4'-P energy: -43.245
tors. eta vs tors. theta energy: -71.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 376
Temperature: 1.150000
Total energy: -1092.101713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1092.101713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1092.101713 (E_RNA)
where:
Base-Base interactions energy: -752.081
where: short stacking energy: -321.880
Base-Backbone interact. energy: 0.479
local terms energy: -340.499213
where:
bonds (distance) C4'-P energy: -64.306
bonds (distance) P-C4' energy: -71.017
flat angles C4'-P-C4' energy: -76.651
flat angles P-C4'-P energy: -45.472
tors. eta vs tors. theta energy: -83.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 376
Temperature: 1.200000
Total energy: -1008.693300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1008.693300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1008.693300 (E_RNA)
where:
Base-Base interactions energy: -695.676
where: short stacking energy: -294.526
Base-Backbone interact. energy: 5.601
local terms energy: -318.617561
where:
bonds (distance) C4'-P energy: -66.239
bonds (distance) P-C4' energy: -60.593
flat angles C4'-P-C4' energy: -71.296
flat angles P-C4'-P energy: -45.447
tors. eta vs tors. theta energy: -75.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 376
Temperature: 1.250000
Total energy: -626.108847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -626.108847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -626.108847 (E_RNA)
where:
Base-Base interactions energy: -355.396
where: short stacking energy: -188.930
Base-Backbone interact. energy: -1.273
local terms energy: -269.440660
where:
bonds (distance) C4'-P energy: -79.060
bonds (distance) P-C4' energy: -59.624
flat angles C4'-P-C4' energy: -64.665
flat angles P-C4'-P energy: -42.989
tors. eta vs tors. theta energy: -23.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 376
Temperature: 1.300000
Total energy: -692.471024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -692.471024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -692.471024 (E_RNA)
where:
Base-Base interactions energy: -444.662
where: short stacking energy: -237.301
Base-Backbone interact. energy: -1.127
local terms energy: -246.681124
where:
bonds (distance) C4'-P energy: -60.493
bonds (distance) P-C4' energy: -50.495
flat angles C4'-P-C4' energy: -65.495
flat angles P-C4'-P energy: -31.896
tors. eta vs tors. theta energy: -38.303
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: 2
=====================================
Write number: 376
Temperature: 1.350000
Total energy: -562.995279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -562.995279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -562.995279 (E_RNA)
where:
Base-Base interactions energy: -332.704
where: short stacking energy: -144.280
Base-Backbone interact. energy: 2.818
local terms energy: -233.108971
where:
bonds (distance) C4'-P energy: -53.220
bonds (distance) P-C4' energy: -70.321
flat angles C4'-P-C4' energy: -51.968
flat angles P-C4'-P energy: -38.023
tors. eta vs tors. theta energy: -19.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 377
Temperature: 0.900000
Total energy: -1376.343751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1376.343751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1376.343751 (E_RNA)
where:
Base-Base interactions energy: -944.560
where: short stacking energy: -418.423
Base-Backbone interact. energy: -2.936
local terms energy: -428.847301
where:
bonds (distance) C4'-P energy: -70.313
bonds (distance) P-C4' energy: -80.011
flat angles C4'-P-C4' energy: -97.059
flat angles P-C4'-P energy: -60.599
tors. eta vs tors. theta energy: -120.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 377
Temperature: 0.950000
Total energy: -1356.139741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1356.139741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1356.139741 (E_RNA)
where:
Base-Base interactions energy: -936.836
where: short stacking energy: -394.507
Base-Backbone interact. energy: -1.250
local terms energy: -418.053600
where:
bonds (distance) C4'-P energy: -77.449
bonds (distance) P-C4' energy: -82.875
flat angles C4'-P-C4' energy: -80.889
flat angles P-C4'-P energy: -54.845
tors. eta vs tors. theta energy: -121.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 377
Temperature: 1.000000
Total energy: -1283.985931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1283.985931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1283.985931 (E_RNA)
where:
Base-Base interactions energy: -893.707
where: short stacking energy: -382.376
Base-Backbone interact. energy: -0.887
local terms energy: -389.391730
where:
bonds (distance) C4'-P energy: -67.035
bonds (distance) P-C4' energy: -74.623
flat angles C4'-P-C4' energy: -80.966
flat angles P-C4'-P energy: -57.803
tors. eta vs tors. theta energy: -108.965
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: 9
=====================================
Write number: 377
Temperature: 1.050000
Total energy: -1232.885258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1232.885258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1232.885258 (E_RNA)
where:
Base-Base interactions energy: -867.771
where: short stacking energy: -360.177
Base-Backbone interact. energy: -1.249
local terms energy: -363.865427
where:
bonds (distance) C4'-P energy: -62.078
bonds (distance) P-C4' energy: -75.078
flat angles C4'-P-C4' energy: -78.768
flat angles P-C4'-P energy: -45.581
tors. eta vs tors. theta energy: -102.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 377
Temperature: 1.100000
Total energy: -1135.844056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1135.844056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1135.844056 (E_RNA)
where:
Base-Base interactions energy: -790.158
where: short stacking energy: -321.559
Base-Backbone interact. energy: -4.281
local terms energy: -341.404822
where:
bonds (distance) C4'-P energy: -67.929
bonds (distance) P-C4' energy: -67.144
flat angles C4'-P-C4' energy: -78.049
flat angles P-C4'-P energy: -48.599
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: 6, replica: 1
=====================================
Write number: 377
Temperature: 1.150000
Total energy: -1089.727194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1089.727194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1089.727194 (E_RNA)
where:
Base-Base interactions energy: -740.012
where: short stacking energy: -337.855
Base-Backbone interact. energy: -1.540
local terms energy: -348.174480
where:
bonds (distance) C4'-P energy: -54.340
bonds (distance) P-C4' energy: -74.012
flat angles C4'-P-C4' energy: -78.665
flat angles P-C4'-P energy: -47.803
tors. eta vs tors. theta energy: -93.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 377
Temperature: 1.200000
Total energy: -945.401187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -945.401187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -945.401187 (E_RNA)
where:
Base-Base interactions energy: -661.079
where: short stacking energy: -273.952
Base-Backbone interact. energy: 1.376
local terms energy: -285.697873
where:
bonds (distance) C4'-P energy: -63.127
bonds (distance) P-C4' energy: -51.863
flat angles C4'-P-C4' energy: -64.733
flat angles P-C4'-P energy: -48.439
tors. eta vs tors. theta energy: -57.535
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: 8, replica: 8
=====================================
Write number: 377
Temperature: 1.250000
Total energy: -716.658846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -716.658846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -716.658846 (E_RNA)
where:
Base-Base interactions energy: -439.239
where: short stacking energy: -218.589
Base-Backbone interact. energy: -0.026
local terms energy: -277.393731
where:
bonds (distance) C4'-P energy: -74.412
bonds (distance) P-C4' energy: -64.311
flat angles C4'-P-C4' energy: -63.080
flat angles P-C4'-P energy: -38.376
tors. eta vs tors. theta energy: -37.215
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: 9, replica: 6
=====================================
Write number: 377
Temperature: 1.300000
Total energy: -614.912143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -614.912143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -614.912143 (E_RNA)
where:
Base-Base interactions energy: -361.630
where: short stacking energy: -195.537
Base-Backbone interact. energy: -0.818
local terms energy: -253.664800
where:
bonds (distance) C4'-P energy: -53.577
bonds (distance) P-C4' energy: -67.325
flat angles C4'-P-C4' energy: -59.552
flat angles P-C4'-P energy: -37.008
tors. eta vs tors. theta energy: -36.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.200 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 377
Temperature: 1.350000
Total energy: -573.977441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -573.977441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -573.977441 (E_RNA)
where:
Base-Base interactions energy: -329.731
where: short stacking energy: -169.333
Base-Backbone interact. energy: 1.291
local terms energy: -245.537114
where:
bonds (distance) C4'-P energy: -54.865
bonds (distance) P-C4' energy: -74.524
flat angles C4'-P-C4' energy: -61.331
flat angles P-C4'-P energy: -37.700
tors. eta vs tors. theta energy: -17.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 378
Temperature: 0.900000
Total energy: -1371.198850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1371.198850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1371.198850 (E_RNA)
where:
Base-Base interactions energy: -958.167
where: short stacking energy: -399.792
Base-Backbone interact. energy: 6.309
local terms energy: -419.341254
where:
bonds (distance) C4'-P energy: -82.910
bonds (distance) P-C4' energy: -78.827
flat angles C4'-P-C4' energy: -86.683
flat angles P-C4'-P energy: -60.223
tors. eta vs tors. theta energy: -110.698
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: 7
=====================================
Write number: 378
Temperature: 0.950000
Total energy: -1333.091021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1333.091021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1333.091021 (E_RNA)
where:
Base-Base interactions energy: -928.686
where: short stacking energy: -383.868
Base-Backbone interact. energy: 0.151
local terms energy: -404.556816
where:
bonds (distance) C4'-P energy: -63.885
bonds (distance) P-C4' energy: -80.644
flat angles C4'-P-C4' energy: -85.443
flat angles P-C4'-P energy: -58.456
tors. eta vs tors. theta energy: -116.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 378
Temperature: 1.000000
Total energy: -1246.941230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1246.941230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1246.941230 (E_RNA)
where:
Base-Base interactions energy: -860.228
where: short stacking energy: -403.337
Base-Backbone interact. energy: -1.640
local terms energy: -385.073516
where:
bonds (distance) C4'-P energy: -60.615
bonds (distance) P-C4' energy: -74.722
flat angles C4'-P-C4' energy: -76.368
flat angles P-C4'-P energy: -56.875
tors. eta vs tors. theta energy: -116.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 378
Temperature: 1.050000
Total energy: -1229.564234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1229.564234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1229.564234 (E_RNA)
where:
Base-Base interactions energy: -844.915
where: short stacking energy: -341.568
Base-Backbone interact. energy: -1.610
local terms energy: -383.038994
where:
bonds (distance) C4'-P energy: -72.663
bonds (distance) P-C4' energy: -76.330
flat angles C4'-P-C4' energy: -79.336
flat angles P-C4'-P energy: -50.485
tors. eta vs tors. theta energy: -104.226
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: 5, replica: 4
=====================================
Write number: 378
Temperature: 1.100000
Total energy: -1133.215416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1133.215416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1133.215416 (E_RNA)
where:
Base-Base interactions energy: -787.131
where: short stacking energy: -318.532
Base-Backbone interact. energy: -1.421
local terms energy: -344.663362
where:
bonds (distance) C4'-P energy: -65.092
bonds (distance) P-C4' energy: -76.455
flat angles C4'-P-C4' energy: -77.013
flat angles P-C4'-P energy: -42.038
tors. eta vs tors. theta energy: -84.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 378
Temperature: 1.150000
Total energy: -1087.004327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1087.004327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1087.004327 (E_RNA)
where:
Base-Base interactions energy: -724.554
where: short stacking energy: -324.707
Base-Backbone interact. energy: -1.013
local terms energy: -361.436898
where:
bonds (distance) C4'-P energy: -64.684
bonds (distance) P-C4' energy: -79.349
flat angles C4'-P-C4' energy: -73.375
flat angles P-C4'-P energy: -47.845
tors. eta vs tors. theta energy: -96.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 378
Temperature: 1.200000
Total energy: -966.460372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -966.460372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -966.460372 (E_RNA)
where:
Base-Base interactions energy: -651.284
where: short stacking energy: -262.540
Base-Backbone interact. energy: 1.288
local terms energy: -316.464407
where:
bonds (distance) C4'-P energy: -63.791
bonds (distance) P-C4' energy: -79.715
flat angles C4'-P-C4' energy: -63.103
flat angles P-C4'-P energy: -51.991
tors. eta vs tors. theta energy: -57.864
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: 8
=====================================
Write number: 378
Temperature: 1.250000
Total energy: -753.373337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -753.373337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -753.373337 (E_RNA)
where:
Base-Base interactions energy: -468.008
where: short stacking energy: -233.442
Base-Backbone interact. energy: -1.064
local terms energy: -284.301578
where:
bonds (distance) C4'-P energy: -58.106
bonds (distance) P-C4' energy: -66.651
flat angles C4'-P-C4' energy: -59.290
flat angles P-C4'-P energy: -52.389
tors. eta vs tors. theta energy: -47.866
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: 2
=====================================
Write number: 378
Temperature: 1.300000
Total energy: -637.307132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -637.307132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -637.307132 (E_RNA)
where:
Base-Base interactions energy: -368.708
where: short stacking energy: -174.924
Base-Backbone interact. energy: -3.118
local terms energy: -265.481215
where:
bonds (distance) C4'-P energy: -57.568
bonds (distance) P-C4' energy: -60.962
flat angles C4'-P-C4' energy: -58.620
flat angles P-C4'-P energy: -52.482
tors. eta vs tors. theta energy: -35.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 378
Temperature: 1.350000
Total energy: -561.943485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.943485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.943485 (E_RNA)
where:
Base-Base interactions energy: -345.500
where: short stacking energy: -152.939
Base-Backbone interact. energy: 2.651
local terms energy: -219.094913
where:
bonds (distance) C4'-P energy: -49.393
bonds (distance) P-C4' energy: -60.474
flat angles C4'-P-C4' energy: -51.279
flat angles P-C4'-P energy: -37.495
tors. eta vs tors. theta energy: -20.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 379
Temperature: 0.900000
Total energy: -1389.436478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1389.436478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1389.436478 (E_RNA)
where:
Base-Base interactions energy: -969.706
where: short stacking energy: -401.991
Base-Backbone interact. energy: 2.316
local terms energy: -422.303744
where:
bonds (distance) C4'-P energy: -80.043
bonds (distance) P-C4' energy: -81.565
flat angles C4'-P-C4' energy: -84.700
flat angles P-C4'-P energy: -58.929
tors. eta vs tors. theta energy: -117.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.257 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 379
Temperature: 0.950000
Total energy: -1344.794725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1344.794725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1344.794725 (E_RNA)
where:
Base-Base interactions energy: -925.334
where: short stacking energy: -408.920
Base-Backbone interact. energy: -0.922
local terms energy: -418.538247
where:
bonds (distance) C4'-P energy: -71.036
bonds (distance) P-C4' energy: -91.452
flat angles C4'-P-C4' energy: -82.010
flat angles P-C4'-P energy: -56.181
tors. eta vs tors. theta energy: -117.860
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: 379
Temperature: 1.000000
Total energy: -1225.009841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1225.009841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1225.009841 (E_RNA)
where:
Base-Base interactions energy: -827.529
where: short stacking energy: -388.327
Base-Backbone interact. energy: -1.253
local terms energy: -396.227539
where:
bonds (distance) C4'-P energy: -68.208
bonds (distance) P-C4' energy: -75.910
flat angles C4'-P-C4' energy: -87.161
flat angles P-C4'-P energy: -62.573
tors. eta vs tors. theta energy: -102.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 379
Temperature: 1.050000
Total energy: -1246.061474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1246.061474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1246.061474 (E_RNA)
where:
Base-Base interactions energy: -848.359
where: short stacking energy: -345.504
Base-Backbone interact. energy: -1.768
local terms energy: -395.933934
where:
bonds (distance) C4'-P energy: -76.957
bonds (distance) P-C4' energy: -85.942
flat angles C4'-P-C4' energy: -79.899
flat angles P-C4'-P energy: -53.187
tors. eta vs tors. theta energy: -99.949
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: 4
=====================================
Write number: 379
Temperature: 1.100000
Total energy: -1145.624300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1145.624300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1145.624300 (E_RNA)
where:
Base-Base interactions energy: -782.409
where: short stacking energy: -324.231
Base-Backbone interact. energy: -2.135
local terms energy: -361.080033
where:
bonds (distance) C4'-P energy: -70.862
bonds (distance) P-C4' energy: -64.344
flat angles C4'-P-C4' energy: -79.505
flat angles P-C4'-P energy: -60.984
tors. eta vs tors. theta energy: -85.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 379
Temperature: 1.150000
Total energy: -1082.607155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1082.607155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1082.607155 (E_RNA)
where:
Base-Base interactions energy: -725.590
where: short stacking energy: -330.068
Base-Backbone interact. energy: -2.120
local terms energy: -354.930258
where:
bonds (distance) C4'-P energy: -66.330
bonds (distance) P-C4' energy: -72.493
flat angles C4'-P-C4' energy: -74.472
flat angles P-C4'-P energy: -54.674
tors. eta vs tors. theta energy: -86.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.033 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 379
Temperature: 1.200000
Total energy: -1027.234989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1027.234989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1027.234989 (E_RNA)
where:
Base-Base interactions energy: -707.000
where: short stacking energy: -293.896
Base-Backbone interact. energy: -1.774
local terms energy: -318.460685
where:
bonds (distance) C4'-P energy: -66.457
bonds (distance) P-C4' energy: -56.179
flat angles C4'-P-C4' energy: -75.027
flat angles P-C4'-P energy: -47.101
tors. eta vs tors. theta energy: -73.696
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: 8, replica: 8
=====================================
Write number: 379
Temperature: 1.250000
Total energy: -748.395972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -748.395972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -748.395972 (E_RNA)
where:
Base-Base interactions energy: -459.269
where: short stacking energy: -224.649
Base-Backbone interact. energy: -1.643
local terms energy: -287.483960
where:
bonds (distance) C4'-P energy: -66.824
bonds (distance) P-C4' energy: -64.609
flat angles C4'-P-C4' energy: -70.951
flat angles P-C4'-P energy: -42.150
tors. eta vs tors. theta energy: -42.949
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: 379
Temperature: 1.300000
Total energy: -666.355028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -666.355028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -666.355028 (E_RNA)
where:
Base-Base interactions energy: -405.807
where: short stacking energy: -195.370
Base-Backbone interact. energy: 0.766
local terms energy: -261.314082
where:
bonds (distance) C4'-P energy: -64.995
bonds (distance) P-C4' energy: -73.952
flat angles C4'-P-C4' energy: -56.279
flat angles P-C4'-P energy: -28.072
tors. eta vs tors. theta energy: -38.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 379
Temperature: 1.350000
Total energy: -576.565954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -576.565954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -576.565954 (E_RNA)
where:
Base-Base interactions energy: -326.574
where: short stacking energy: -156.121
Base-Backbone interact. energy: -0.865
local terms energy: -249.127730
where:
bonds (distance) C4'-P energy: -66.487
bonds (distance) P-C4' energy: -64.141
flat angles C4'-P-C4' energy: -60.920
flat angles P-C4'-P energy: -40.213
tors. eta vs tors. theta energy: -17.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 380
Temperature: 0.900000
Total energy: -1370.566857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1370.566857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1370.566857 (E_RNA)
where:
Base-Base interactions energy: -954.461
where: short stacking energy: -417.719
Base-Backbone interact. energy: -2.695
local terms energy: -413.411593
where:
bonds (distance) C4'-P energy: -75.962
bonds (distance) P-C4' energy: -71.796
flat angles C4'-P-C4' energy: -89.080
flat angles P-C4'-P energy: -54.203
tors. eta vs tors. theta energy: -122.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 380
Temperature: 0.950000
Total energy: -1376.441322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1376.441322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1376.441322 (E_RNA)
where:
Base-Base interactions energy: -961.466
where: short stacking energy: -404.824
Base-Backbone interact. energy: -1.288
local terms energy: -413.686970
where:
bonds (distance) C4'-P energy: -71.002
bonds (distance) P-C4' energy: -77.732
flat angles C4'-P-C4' energy: -88.691
flat angles P-C4'-P energy: -57.304
tors. eta vs tors. theta energy: -118.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 380
Temperature: 1.000000
Total energy: -1276.143835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1276.143835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1276.143835 (E_RNA)
where:
Base-Base interactions energy: -896.055
where: short stacking energy: -357.202
Base-Backbone interact. energy: -1.877
local terms energy: -378.397854
where:
bonds (distance) C4'-P energy: -59.121
bonds (distance) P-C4' energy: -79.341
flat angles C4'-P-C4' energy: -84.084
flat angles P-C4'-P energy: -46.965
tors. eta vs tors. theta energy: -108.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.186 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 380
Temperature: 1.050000
Total energy: -1191.640943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1191.640943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1191.640943 (E_RNA)
where:
Base-Base interactions energy: -787.800
where: short stacking energy: -361.404
Base-Backbone interact. energy: 0.020
local terms energy: -403.860379
where:
bonds (distance) C4'-P energy: -65.644
bonds (distance) P-C4' energy: -73.273
flat angles C4'-P-C4' energy: -93.437
flat angles P-C4'-P energy: -66.489
tors. eta vs tors. theta energy: -105.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 380
Temperature: 1.100000
Total energy: -1143.846196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1143.846196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1143.846196 (E_RNA)
where:
Base-Base interactions energy: -786.948
where: short stacking energy: -311.889
Base-Backbone interact. energy: -3.356
local terms energy: -353.542784
where:
bonds (distance) C4'-P energy: -61.604
bonds (distance) P-C4' energy: -72.941
flat angles C4'-P-C4' energy: -72.321
flat angles P-C4'-P energy: -55.545
tors. eta vs tors. theta energy: -91.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 380
Temperature: 1.150000
Total energy: -1049.415014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1049.415014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1049.415014 (E_RNA)
where:
Base-Base interactions energy: -700.748
where: short stacking energy: -331.883
Base-Backbone interact. energy: -0.748
local terms energy: -347.919177
where:
bonds (distance) C4'-P energy: -63.255
bonds (distance) P-C4' energy: -74.181
flat angles C4'-P-C4' energy: -74.951
flat angles P-C4'-P energy: -50.408
tors. eta vs tors. theta energy: -85.124
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: 10
=====================================
Write number: 380
Temperature: 1.200000
Total energy: -1039.034666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1039.034666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1039.034666 (E_RNA)
where:
Base-Base interactions energy: -739.909
where: short stacking energy: -305.110
Base-Backbone interact. energy: -1.233
local terms energy: -297.892578
where:
bonds (distance) C4'-P energy: -53.883
bonds (distance) P-C4' energy: -56.811
flat angles C4'-P-C4' energy: -66.024
flat angles P-C4'-P energy: -44.488
tors. eta vs tors. theta energy: -76.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 380
Temperature: 1.250000
Total energy: -725.802525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -725.802525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -725.802525 (E_RNA)
where:
Base-Base interactions energy: -438.463
where: short stacking energy: -209.124
Base-Backbone interact. energy: 0.922
local terms energy: -288.261070
where:
bonds (distance) C4'-P energy: -76.628
bonds (distance) P-C4' energy: -74.427
flat angles C4'-P-C4' energy: -66.755
flat angles P-C4'-P energy: -46.463
tors. eta vs tors. theta energy: -23.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 380
Temperature: 1.300000
Total energy: -565.950007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -565.950007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -565.950007 (E_RNA)
where:
Base-Base interactions energy: -318.563
where: short stacking energy: -157.144
Base-Backbone interact. energy: 0.222
local terms energy: -247.608992
where:
bonds (distance) C4'-P energy: -73.395
bonds (distance) P-C4' energy: -60.595
flat angles C4'-P-C4' energy: -56.939
flat angles P-C4'-P energy: -40.341
tors. eta vs tors. theta energy: -16.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 380
Temperature: 1.350000
Total energy: -645.404877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -645.404877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -645.404877 (E_RNA)
where:
Base-Base interactions energy: -398.081
where: short stacking energy: -189.862
Base-Backbone interact. energy: -0.355
local terms energy: -246.968103
where:
bonds (distance) C4'-P energy: -62.878
bonds (distance) P-C4' energy: -61.712
flat angles C4'-P-C4' energy: -58.358
flat angles P-C4'-P energy: -37.460
tors. eta vs tors. theta energy: -26.560
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: 7
=====================================
Write number: 381
Temperature: 0.900000
Total energy: -1401.756769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1401.756769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1401.756769 (E_RNA)
where:
Base-Base interactions energy: -968.019
where: short stacking energy: -403.727
Base-Backbone interact. energy: -2.370
local terms energy: -431.368275
where:
bonds (distance) C4'-P energy: -76.033
bonds (distance) P-C4' energy: -85.107
flat angles C4'-P-C4' energy: -85.595
flat angles P-C4'-P energy: -58.327
tors. eta vs tors. theta energy: -126.306
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: 5
=====================================
Write number: 381
Temperature: 0.950000
Total energy: -1340.065807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1340.065807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1340.065807 (E_RNA)
where:
Base-Base interactions energy: -933.642
where: short stacking energy: -389.354
Base-Backbone interact. energy: -4.497
local terms energy: -401.927056
where:
bonds (distance) C4'-P energy: -76.282
bonds (distance) P-C4' energy: -76.290
flat angles C4'-P-C4' energy: -79.411
flat angles P-C4'-P energy: -55.005
tors. eta vs tors. theta energy: -114.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 381
Temperature: 1.000000
Total energy: -1241.132175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1241.132175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1241.132175 (E_RNA)
where:
Base-Base interactions energy: -848.399
where: short stacking energy: -360.953
Base-Backbone interact. energy: -0.675
local terms energy: -392.058121
where:
bonds (distance) C4'-P energy: -71.402
bonds (distance) P-C4' energy: -80.979
flat angles C4'-P-C4' energy: -80.576
flat angles P-C4'-P energy: -59.171
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: 4, replica: 3
=====================================
Write number: 381
Temperature: 1.050000
Total energy: -1203.691690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1203.691690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1203.691690 (E_RNA)
where:
Base-Base interactions energy: -829.266
where: short stacking energy: -351.303
Base-Backbone interact. energy: -0.718
local terms energy: -373.708512
where:
bonds (distance) C4'-P energy: -61.815
bonds (distance) P-C4' energy: -71.292
flat angles C4'-P-C4' energy: -80.118
flat angles P-C4'-P energy: -56.487
tors. eta vs tors. theta energy: -103.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 381
Temperature: 1.100000
Total energy: -1134.092306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1134.092306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1134.092306 (E_RNA)
where:
Base-Base interactions energy: -780.292
where: short stacking energy: -308.890
Base-Backbone interact. energy: -2.263
local terms energy: -351.537595
where:
bonds (distance) C4'-P energy: -70.030
bonds (distance) P-C4' energy: -70.425
flat angles C4'-P-C4' energy: -79.556
flat angles P-C4'-P energy: -49.056
tors. eta vs tors. theta energy: -82.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 381
Temperature: 1.150000
Total energy: -1028.498964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1028.498964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1028.498964 (E_RNA)
where:
Base-Base interactions energy: -690.994
where: short stacking energy: -300.662
Base-Backbone interact. energy: -0.799
local terms energy: -336.705832
where:
bonds (distance) C4'-P energy: -67.891
bonds (distance) P-C4' energy: -61.173
flat angles C4'-P-C4' energy: -79.151
flat angles P-C4'-P energy: -49.350
tors. eta vs tors. theta energy: -79.141
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: 7, replica: 1
=====================================
Write number: 381
Temperature: 1.200000
Total energy: -1001.907430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1001.907430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1001.907430 (E_RNA)
where:
Base-Base interactions energy: -664.311
where: short stacking energy: -304.324
Base-Backbone interact. energy: 0.477
local terms energy: -338.073868
where:
bonds (distance) C4'-P energy: -67.539
bonds (distance) P-C4' energy: -67.687
flat angles C4'-P-C4' energy: -78.951
flat angles P-C4'-P energy: -40.866
tors. eta vs tors. theta energy: -83.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 381
Temperature: 1.250000
Total energy: -783.732775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -783.732775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -783.732775 (E_RNA)
where:
Base-Base interactions energy: -504.316
where: short stacking energy: -225.582
Base-Backbone interact. energy: -0.825
local terms energy: -278.591367
where:
bonds (distance) C4'-P energy: -59.488
bonds (distance) P-C4' energy: -59.820
flat angles C4'-P-C4' energy: -63.383
flat angles P-C4'-P energy: -45.182
tors. eta vs tors. theta energy: -50.719
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: 6
=====================================
Write number: 381
Temperature: 1.300000
Total energy: -567.054155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -567.054155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -567.054155 (E_RNA)
where:
Base-Base interactions energy: -322.792
where: short stacking energy: -165.744
Base-Backbone interact. energy: -1.413
local terms energy: -242.849623
where:
bonds (distance) C4'-P energy: -62.809
bonds (distance) P-C4' energy: -60.593
flat angles C4'-P-C4' energy: -49.471
flat angles P-C4'-P energy: -47.340
tors. eta vs tors. theta energy: -22.636
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: 10, replica: 2
=====================================
Write number: 381
Temperature: 1.350000
Total energy: -633.497517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -633.497517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -633.497517 (E_RNA)
where:
Base-Base interactions energy: -374.728
where: short stacking energy: -183.592
Base-Backbone interact. energy: -1.055
local terms energy: -257.714198
where:
bonds (distance) C4'-P energy: -63.135
bonds (distance) P-C4' energy: -63.484
flat angles C4'-P-C4' energy: -62.293
flat angles P-C4'-P energy: -36.689
tors. eta vs tors. theta energy: -32.113
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: 1, replica: 7
=====================================
Write number: 382
Temperature: 0.900000
Total energy: -1377.375128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1377.375128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1377.375128 (E_RNA)
where:
Base-Base interactions energy: -946.668
where: short stacking energy: -412.301
Base-Backbone interact. energy: -1.699
local terms energy: -429.008399
where:
bonds (distance) C4'-P energy: -89.094
bonds (distance) P-C4' energy: -78.332
flat angles C4'-P-C4' energy: -89.191
flat angles P-C4'-P energy: -54.793
tors. eta vs tors. theta energy: -117.600
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: 5
=====================================
Write number: 382
Temperature: 0.950000
Total energy: -1332.604877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1332.604877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1332.604877 (E_RNA)
where:
Base-Base interactions energy: -934.039
where: short stacking energy: -406.775
Base-Backbone interact. energy: -3.612
local terms energy: -394.954170
where:
bonds (distance) C4'-P energy: -68.384
bonds (distance) P-C4' energy: -71.491
flat angles C4'-P-C4' energy: -86.324
flat angles P-C4'-P energy: -49.339
tors. eta vs tors. theta energy: -119.416
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: 9
=====================================
Write number: 382
Temperature: 1.000000
Total energy: -1243.232841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1243.232841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1243.232841 (E_RNA)
where:
Base-Base interactions energy: -860.689
where: short stacking energy: -365.066
Base-Backbone interact. energy: -1.925
local terms energy: -380.618140
where:
bonds (distance) C4'-P energy: -70.745
bonds (distance) P-C4' energy: -70.354
flat angles C4'-P-C4' energy: -83.629
flat angles P-C4'-P energy: -55.891
tors. eta vs tors. theta energy: -99.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 382
Temperature: 1.050000
Total energy: -1223.416810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1223.416810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1223.416810 (E_RNA)
where:
Base-Base interactions energy: -843.406
where: short stacking energy: -380.301
Base-Backbone interact. energy: -0.517
local terms energy: -379.494218
where:
bonds (distance) C4'-P energy: -75.048
bonds (distance) P-C4' energy: -66.813
flat angles C4'-P-C4' energy: -77.622
flat angles P-C4'-P energy: -53.355
tors. eta vs tors. theta energy: -106.657
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: 4
=====================================
Write number: 382
Temperature: 1.100000
Total energy: -1166.933031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1166.933031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1166.933031 (E_RNA)
where:
Base-Base interactions energy: -822.668
where: short stacking energy: -315.924
Base-Backbone interact. energy: -2.279
local terms energy: -341.985304
where:
bonds (distance) C4'-P energy: -61.140
bonds (distance) P-C4' energy: -73.091
flat angles C4'-P-C4' energy: -69.686
flat angles P-C4'-P energy: -52.761
tors. eta vs tors. theta energy: -85.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 382
Temperature: 1.150000
Total energy: -1112.875159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1112.875159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1112.875159 (E_RNA)
where:
Base-Base interactions energy: -778.921
where: short stacking energy: -331.541
Base-Backbone interact. energy: 3.595
local terms energy: -337.548426
where:
bonds (distance) C4'-P energy: -59.390
bonds (distance) P-C4' energy: -61.709
flat angles C4'-P-C4' energy: -79.514
flat angles P-C4'-P energy: -42.478
tors. eta vs tors. theta energy: -94.458
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: 382
Temperature: 1.200000
Total energy: -1010.356934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1010.356934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1010.356934 (E_RNA)
where:
Base-Base interactions energy: -675.877
where: short stacking energy: -304.982
Base-Backbone interact. energy: -0.950
local terms energy: -333.530142
where:
bonds (distance) C4'-P energy: -70.649
bonds (distance) P-C4' energy: -76.573
flat angles C4'-P-C4' energy: -72.188
flat angles P-C4'-P energy: -31.594
tors. eta vs tors. theta energy: -82.527
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: 8
=====================================
Write number: 382
Temperature: 1.250000
Total energy: -789.748030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -789.748030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -789.748030 (E_RNA)
where:
Base-Base interactions energy: -526.109
where: short stacking energy: -247.773
Base-Backbone interact. energy: 3.650
local terms energy: -267.288809
where:
bonds (distance) C4'-P energy: -68.812
bonds (distance) P-C4' energy: -60.121
flat angles C4'-P-C4' energy: -65.971
flat angles P-C4'-P energy: -33.067
tors. eta vs tors. theta energy: -39.318
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: 2
=====================================
Write number: 382
Temperature: 1.300000
Total energy: -656.686360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -656.686360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -656.686360 (E_RNA)
where:
Base-Base interactions energy: -398.939
where: short stacking energy: -182.787
Base-Backbone interact. energy: 6.810
local terms energy: -264.557752
where:
bonds (distance) C4'-P energy: -66.434
bonds (distance) P-C4' energy: -66.013
flat angles C4'-P-C4' energy: -56.363
flat angles P-C4'-P energy: -48.530
tors. eta vs tors. theta energy: -27.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 382
Temperature: 1.350000
Total energy: -541.735028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.735028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.735028 (E_RNA)
where:
Base-Base interactions energy: -287.054
where: short stacking energy: -131.806
Base-Backbone interact. energy: -2.009
local terms energy: -252.672685
where:
bonds (distance) C4'-P energy: -64.273
bonds (distance) P-C4' energy: -71.540
flat angles C4'-P-C4' energy: -64.485
flat angles P-C4'-P energy: -38.162
tors. eta vs tors. theta energy: -14.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 383
Temperature: 0.900000
Total energy: -1378.414901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1378.414901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1378.414901 (E_RNA)
where:
Base-Base interactions energy: -953.948
where: short stacking energy: -405.231
Base-Backbone interact. energy: -1.641
local terms energy: -422.825992
where:
bonds (distance) C4'-P energy: -72.379
bonds (distance) P-C4' energy: -82.431
flat angles C4'-P-C4' energy: -84.908
flat angles P-C4'-P energy: -64.044
tors. eta vs tors. theta energy: -119.065
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: 5
=====================================
Write number: 383
Temperature: 0.950000
Total energy: -1357.117154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1357.117154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1357.117154 (E_RNA)
where:
Base-Base interactions energy: -943.337
where: short stacking energy: -391.654
Base-Backbone interact. energy: -2.226
local terms energy: -411.554193
where:
bonds (distance) C4'-P energy: -68.985
bonds (distance) P-C4' energy: -82.952
flat angles C4'-P-C4' energy: -88.873
flat angles P-C4'-P energy: -58.704
tors. eta vs tors. theta energy: -112.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 383
Temperature: 1.000000
Total energy: -1281.161443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1281.161443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1281.161443 (E_RNA)
where:
Base-Base interactions energy: -903.116
where: short stacking energy: -380.487
Base-Backbone interact. energy: -0.164
local terms energy: -377.881292
where:
bonds (distance) C4'-P energy: -74.133
bonds (distance) P-C4' energy: -69.026
flat angles C4'-P-C4' energy: -83.104
flat angles P-C4'-P energy: -47.096
tors. eta vs tors. theta energy: -104.522
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: 3
=====================================
Write number: 383
Temperature: 1.050000
Total energy: -1223.681098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1223.681098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1223.681098 (E_RNA)
where:
Base-Base interactions energy: -840.976
where: short stacking energy: -376.025
Base-Backbone interact. energy: -1.183
local terms energy: -381.522488
where:
bonds (distance) C4'-P energy: -68.643
bonds (distance) P-C4' energy: -67.890
flat angles C4'-P-C4' energy: -87.950
flat angles P-C4'-P energy: -44.863
tors. eta vs tors. theta energy: -112.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 383
Temperature: 1.100000
Total energy: -1128.289281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1128.289281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1128.289281 (E_RNA)
where:
Base-Base interactions energy: -780.659
where: short stacking energy: -324.107
Base-Backbone interact. energy: 4.986
local terms energy: -352.616978
where:
bonds (distance) C4'-P energy: -68.321
bonds (distance) P-C4' energy: -69.377
flat angles C4'-P-C4' energy: -74.678
flat angles P-C4'-P energy: -55.954
tors. eta vs tors. theta energy: -84.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 383
Temperature: 1.150000
Total energy: -1062.716914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1062.716914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1062.716914 (E_RNA)
where:
Base-Base interactions energy: -722.780
where: short stacking energy: -300.943
Base-Backbone interact. energy: -1.070
local terms energy: -338.867005
where:
bonds (distance) C4'-P energy: -73.131
bonds (distance) P-C4' energy: -63.119
flat angles C4'-P-C4' energy: -78.599
flat angles P-C4'-P energy: -47.825
tors. eta vs tors. theta energy: -76.192
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: 7, replica: 1
=====================================
Write number: 383
Temperature: 1.200000
Total energy: -1008.966128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1008.966128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1008.966128 (E_RNA)
where:
Base-Base interactions energy: -686.537
where: short stacking energy: -303.805
Base-Backbone interact. energy: -1.259
local terms energy: -321.170561
where:
bonds (distance) C4'-P energy: -51.343
bonds (distance) P-C4' energy: -65.322
flat angles C4'-P-C4' energy: -79.756
flat angles P-C4'-P energy: -43.379
tors. eta vs tors. theta energy: -81.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 383
Temperature: 1.250000
Total energy: -782.445404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -782.445404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -782.445404 (E_RNA)
where:
Base-Base interactions energy: -513.800
where: short stacking energy: -234.832
Base-Backbone interact. energy: -0.673
local terms energy: -267.972346
where:
bonds (distance) C4'-P energy: -69.385
bonds (distance) P-C4' energy: -62.696
flat angles C4'-P-C4' energy: -56.808
flat angles P-C4'-P energy: -30.114
tors. eta vs tors. theta energy: -48.969
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: 2
=====================================
Write number: 383
Temperature: 1.300000
Total energy: -686.237344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -686.237344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -686.237344 (E_RNA)
where:
Base-Base interactions energy: -417.077
where: short stacking energy: -196.299
Base-Backbone interact. energy: 3.140
local terms energy: -272.299606
where:
bonds (distance) C4'-P energy: -59.239
bonds (distance) P-C4' energy: -61.731
flat angles C4'-P-C4' energy: -66.508
flat angles P-C4'-P energy: -38.213
tors. eta vs tors. theta energy: -46.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 383
Temperature: 1.350000
Total energy: -595.606303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -595.606303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -595.606303 (E_RNA)
where:
Base-Base interactions energy: -362.414
where: short stacking energy: -174.950
Base-Backbone interact. energy: 1.196
local terms energy: -234.387768
where:
bonds (distance) C4'-P energy: -61.743
bonds (distance) P-C4' energy: -53.958
flat angles C4'-P-C4' energy: -59.989
flat angles P-C4'-P energy: -30.983
tors. eta vs tors. theta energy: -27.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 384
Temperature: 0.900000
Total energy: -1377.781021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1377.781021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1377.781021 (E_RNA)
where:
Base-Base interactions energy: -957.756
where: short stacking energy: -413.939
Base-Backbone interact. energy: -1.743
local terms energy: -418.282415
where:
bonds (distance) C4'-P energy: -83.664
bonds (distance) P-C4' energy: -74.136
flat angles C4'-P-C4' energy: -89.205
flat angles P-C4'-P energy: -55.065
tors. eta vs tors. theta energy: -116.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 384
Temperature: 0.950000
Total energy: -1356.833726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1356.833726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1356.833726 (E_RNA)
where:
Base-Base interactions energy: -947.425
where: short stacking energy: -383.081
Base-Backbone interact. energy: -1.919
local terms energy: -407.490478
where:
bonds (distance) C4'-P energy: -68.489
bonds (distance) P-C4' energy: -75.643
flat angles C4'-P-C4' energy: -91.411
flat angles P-C4'-P energy: -63.324
tors. eta vs tors. theta energy: -108.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 384
Temperature: 1.000000
Total energy: -1269.082096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1269.082096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1269.082096 (E_RNA)
where:
Base-Base interactions energy: -875.065
where: short stacking energy: -390.708
Base-Backbone interact. energy: 0.155
local terms energy: -394.171649
where:
bonds (distance) C4'-P energy: -78.864
bonds (distance) P-C4' energy: -70.059
flat angles C4'-P-C4' energy: -84.289
flat angles P-C4'-P energy: -51.505
tors. eta vs tors. theta energy: -109.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 384
Temperature: 1.050000
Total energy: -1238.512944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1238.512944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1238.512944 (E_RNA)
where:
Base-Base interactions energy: -863.597
where: short stacking energy: -355.583
Base-Backbone interact. energy: -1.613
local terms energy: -373.303097
where:
bonds (distance) C4'-P energy: -72.943
bonds (distance) P-C4' energy: -79.386
flat angles C4'-P-C4' energy: -82.234
flat angles P-C4'-P energy: -52.978
tors. eta vs tors. theta energy: -85.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 384
Temperature: 1.100000
Total energy: -1090.573513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1090.573513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1090.573513 (E_RNA)
where:
Base-Base interactions energy: -752.566
where: short stacking energy: -311.543
Base-Backbone interact. energy: 0.603
local terms energy: -338.609602
where:
bonds (distance) C4'-P energy: -65.948
bonds (distance) P-C4' energy: -76.602
flat angles C4'-P-C4' energy: -77.679
flat angles P-C4'-P energy: -40.563
tors. eta vs tors. theta energy: -77.817
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: 6, replica: 10
=====================================
Write number: 384
Temperature: 1.150000
Total energy: -1072.066678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1072.066678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1072.066678 (E_RNA)
where:
Base-Base interactions energy: -721.395
where: short stacking energy: -299.602
Base-Backbone interact. energy: -0.822
local terms energy: -349.849809
where:
bonds (distance) C4'-P energy: -73.410
bonds (distance) P-C4' energy: -65.341
flat angles C4'-P-C4' energy: -80.326
flat angles P-C4'-P energy: -44.312
tors. eta vs tors. theta energy: -86.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 384
Temperature: 1.200000
Total energy: -980.931783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -980.931783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -980.931783 (E_RNA)
where:
Base-Base interactions energy: -655.678
where: short stacking energy: -301.545
Base-Backbone interact. energy: -1.310
local terms energy: -323.944137
where:
bonds (distance) C4'-P energy: -61.503
bonds (distance) P-C4' energy: -78.124
flat angles C4'-P-C4' energy: -76.277
flat angles P-C4'-P energy: -35.733
tors. eta vs tors. theta energy: -72.308
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: 8, replica: 8
=====================================
Write number: 384
Temperature: 1.250000
Total energy: -810.328709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -810.328709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -810.328709 (E_RNA)
where:
Base-Base interactions energy: -527.522
where: short stacking energy: -232.591
Base-Backbone interact. energy: -0.703
local terms energy: -282.104079
where:
bonds (distance) C4'-P energy: -64.422
bonds (distance) P-C4' energy: -67.478
flat angles C4'-P-C4' energy: -64.333
flat angles P-C4'-P energy: -38.040
tors. eta vs tors. theta energy: -47.831
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: 2
=====================================
Write number: 384
Temperature: 1.300000
Total energy: -644.689620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -644.689620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -644.689620 (E_RNA)
where:
Base-Base interactions energy: -414.538
where: short stacking energy: -194.056
Base-Backbone interact. energy: -1.862
local terms energy: -228.288844
where:
bonds (distance) C4'-P energy: -50.199
bonds (distance) P-C4' energy: -58.257
flat angles C4'-P-C4' energy: -63.393
flat angles P-C4'-P energy: -38.774
tors. eta vs tors. theta energy: -17.666
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: 6
=====================================
Write number: 384
Temperature: 1.350000
Total energy: -584.818609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -584.818609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -584.818609 (E_RNA)
where:
Base-Base interactions energy: -347.727
where: short stacking energy: -150.101
Base-Backbone interact. energy: -1.962
local terms energy: -235.128923
where:
bonds (distance) C4'-P energy: -71.940
bonds (distance) P-C4' energy: -56.156
flat angles C4'-P-C4' energy: -54.597
flat angles P-C4'-P energy: -47.679
tors. eta vs tors. theta energy: -4.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 385
Temperature: 0.900000
Total energy: -1394.691795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1394.691795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1394.691795 (E_RNA)
where:
Base-Base interactions energy: -980.669
where: short stacking energy: -410.549
Base-Backbone interact. energy: -1.326
local terms energy: -412.697477
where:
bonds (distance) C4'-P energy: -74.180
bonds (distance) P-C4' energy: -72.705
flat angles C4'-P-C4' energy: -78.136
flat angles P-C4'-P energy: -66.824
tors. eta vs tors. theta energy: -120.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 385
Temperature: 0.950000
Total energy: -1337.431253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1337.431253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1337.431253 (E_RNA)
where:
Base-Base interactions energy: -950.702
where: short stacking energy: -402.419
Base-Backbone interact. energy: -3.071
local terms energy: -383.658587
where:
bonds (distance) C4'-P energy: -65.048
bonds (distance) P-C4' energy: -70.517
flat angles C4'-P-C4' energy: -83.334
flat angles P-C4'-P energy: -50.657
tors. eta vs tors. theta energy: -114.102
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: 3, replica: 3
=====================================
Write number: 385
Temperature: 1.000000
Total energy: -1238.621273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1238.621273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1238.621273 (E_RNA)
where:
Base-Base interactions energy: -835.237
where: short stacking energy: -384.082
Base-Backbone interact. energy: -2.950
local terms energy: -400.434406
where:
bonds (distance) C4'-P energy: -81.498
bonds (distance) P-C4' energy: -72.708
flat angles C4'-P-C4' energy: -87.781
flat angles P-C4'-P energy: -49.806
tors. eta vs tors. theta energy: -108.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 385
Temperature: 1.050000
Total energy: -1277.655922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1277.655922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1277.655922 (E_RNA)
where:
Base-Base interactions energy: -895.200
where: short stacking energy: -357.399
Base-Backbone interact. energy: 1.881
local terms energy: -384.337371
where:
bonds (distance) C4'-P energy: -75.908
bonds (distance) P-C4' energy: -62.988
flat angles C4'-P-C4' energy: -80.389
flat angles P-C4'-P energy: -58.074
tors. eta vs tors. theta energy: -106.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 385
Temperature: 1.100000
Total energy: -1108.845772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1108.845772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1108.845772 (E_RNA)
where:
Base-Base interactions energy: -758.382
where: short stacking energy: -316.846
Base-Backbone interact. energy: -1.226
local terms energy: -349.237563
where:
bonds (distance) C4'-P energy: -56.988
bonds (distance) P-C4' energy: -72.596
flat angles C4'-P-C4' energy: -75.403
flat angles P-C4'-P energy: -54.696
tors. eta vs tors. theta energy: -89.555
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: 10
=====================================
Write number: 385
Temperature: 1.150000
Total energy: -1106.726504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1106.726504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1106.726504 (E_RNA)
where:
Base-Base interactions energy: -762.184
where: short stacking energy: -325.938
Base-Backbone interact. energy: -1.278
local terms energy: -343.264407
where:
bonds (distance) C4'-P energy: -69.437
bonds (distance) P-C4' energy: -68.621
flat angles C4'-P-C4' energy: -72.213
flat angles P-C4'-P energy: -45.649
tors. eta vs tors. theta energy: -87.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 385
Temperature: 1.200000
Total energy: -1012.873191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1012.873191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1012.873191 (E_RNA)
where:
Base-Base interactions energy: -659.409
where: short stacking energy: -309.058
Base-Backbone interact. energy: -1.072
local terms energy: -352.392456
where:
bonds (distance) C4'-P energy: -63.956
bonds (distance) P-C4' energy: -73.369
flat angles C4'-P-C4' energy: -74.484
flat angles P-C4'-P energy: -51.429
tors. eta vs tors. theta energy: -89.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 385
Temperature: 1.250000
Total energy: -798.359077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -798.359077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -798.359077 (E_RNA)
where:
Base-Base interactions energy: -515.150
where: short stacking energy: -243.622
Base-Backbone interact. energy: -2.153
local terms energy: -281.056115
where:
bonds (distance) C4'-P energy: -51.153
bonds (distance) P-C4' energy: -77.919
flat angles C4'-P-C4' energy: -54.373
flat angles P-C4'-P energy: -52.539
tors. eta vs tors. theta energy: -45.072
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: 9, replica: 2
=====================================
Write number: 385
Temperature: 1.300000
Total energy: -640.941401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -640.941401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -640.941401 (E_RNA)
where:
Base-Base interactions energy: -384.258
where: short stacking energy: -190.086
Base-Backbone interact. energy: -1.969
local terms energy: -254.714418
where:
bonds (distance) C4'-P energy: -58.833
bonds (distance) P-C4' energy: -62.733
flat angles C4'-P-C4' energy: -69.686
flat angles P-C4'-P energy: -35.944
tors. eta vs tors. theta energy: -27.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 385
Temperature: 1.350000
Total energy: -562.362176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -562.362176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -562.362176 (E_RNA)
where:
Base-Base interactions energy: -339.829
where: short stacking energy: -171.427
Base-Backbone interact. energy: 2.832
local terms energy: -225.365394
where:
bonds (distance) C4'-P energy: -44.805
bonds (distance) P-C4' energy: -69.766
flat angles C4'-P-C4' energy: -55.896
flat angles P-C4'-P energy: -36.181
tors. eta vs tors. theta energy: -18.717
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: 7
=====================================
Write number: 386
Temperature: 0.900000
Total energy: -1378.302526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1378.302526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1378.302526 (E_RNA)
where:
Base-Base interactions energy: -962.949
where: short stacking energy: -405.376
Base-Backbone interact. energy: -2.094
local terms energy: -413.259947
where:
bonds (distance) C4'-P energy: -76.673
bonds (distance) P-C4' energy: -79.337
flat angles C4'-P-C4' energy: -89.529
flat angles P-C4'-P energy: -57.239
tors. eta vs tors. theta energy: -110.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 386
Temperature: 0.950000
Total energy: -1332.760391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1332.760391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1332.760391 (E_RNA)
where:
Base-Base interactions energy: -948.739
where: short stacking energy: -388.421
Base-Backbone interact. energy: 2.839
local terms energy: -386.860652
where:
bonds (distance) C4'-P energy: -73.489
bonds (distance) P-C4' energy: -74.309
flat angles C4'-P-C4' energy: -78.066
flat angles P-C4'-P energy: -51.921
tors. eta vs tors. theta energy: -109.076
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: 3, replica: 9
=====================================
Write number: 386
Temperature: 1.000000
Total energy: -1290.879837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1290.879837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1290.879837 (E_RNA)
where:
Base-Base interactions energy: -889.617
where: short stacking energy: -377.760
Base-Backbone interact. energy: -1.716
local terms energy: -399.546896
where:
bonds (distance) C4'-P energy: -71.723
bonds (distance) P-C4' energy: -87.294
flat angles C4'-P-C4' energy: -81.828
flat angles P-C4'-P energy: -56.412
tors. eta vs tors. theta energy: -102.289
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: 3
=====================================
Write number: 386
Temperature: 1.050000
Total energy: -1220.787401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1220.787401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1220.787401 (E_RNA)
where:
Base-Base interactions energy: -836.754
where: short stacking energy: -353.119
Base-Backbone interact. energy: -0.495
local terms energy: -383.538335
where:
bonds (distance) C4'-P energy: -68.888
bonds (distance) P-C4' energy: -73.583
flat angles C4'-P-C4' energy: -87.192
flat angles P-C4'-P energy: -52.619
tors. eta vs tors. theta energy: -101.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 386
Temperature: 1.100000
Total energy: -1153.922379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1153.922379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1153.922379 (E_RNA)
where:
Base-Base interactions energy: -811.702
where: short stacking energy: -322.773
Base-Backbone interact. energy: 0.390
local terms energy: -342.610713
where:
bonds (distance) C4'-P energy: -65.337
bonds (distance) P-C4' energy: -74.176
flat angles C4'-P-C4' energy: -65.938
flat angles P-C4'-P energy: -53.598
tors. eta vs tors. theta energy: -83.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 386
Temperature: 1.150000
Total energy: -1092.967621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1092.967621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1092.967621 (E_RNA)
where:
Base-Base interactions energy: -759.953
where: short stacking energy: -328.468
Base-Backbone interact. energy: 4.243
local terms energy: -337.257164
where:
bonds (distance) C4'-P energy: -60.846
bonds (distance) P-C4' energy: -74.754
flat angles C4'-P-C4' energy: -74.531
flat angles P-C4'-P energy: -42.215
tors. eta vs tors. theta energy: -84.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 386
Temperature: 1.200000
Total energy: -986.510512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -986.510512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -986.510512 (E_RNA)
where:
Base-Base interactions energy: -642.332
where: short stacking energy: -290.921
Base-Backbone interact. energy: -2.311
local terms energy: -341.867095
where:
bonds (distance) C4'-P energy: -80.177
bonds (distance) P-C4' energy: -57.699
flat angles C4'-P-C4' energy: -83.954
flat angles P-C4'-P energy: -38.264
tors. eta vs tors. theta energy: -81.773
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: 8, replica: 8
=====================================
Write number: 386
Temperature: 1.250000
Total energy: -787.808814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -787.808814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -787.808814 (E_RNA)
where:
Base-Base interactions energy: -500.606
where: short stacking energy: -233.058
Base-Backbone interact. energy: 0.617
local terms energy: -287.820043
where:
bonds (distance) C4'-P energy: -66.196
bonds (distance) P-C4' energy: -62.262
flat angles C4'-P-C4' energy: -71.987
flat angles P-C4'-P energy: -38.646
tors. eta vs tors. theta energy: -48.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 386
Temperature: 1.300000
Total energy: -610.867399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -610.867399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -610.867399 (E_RNA)
where:
Base-Base interactions energy: -358.268
where: short stacking energy: -192.478
Base-Backbone interact. energy: -0.740
local terms energy: -251.859179
where:
bonds (distance) C4'-P energy: -62.180
bonds (distance) P-C4' energy: -66.103
flat angles C4'-P-C4' energy: -60.136
flat angles P-C4'-P energy: -36.579
tors. eta vs tors. theta energy: -26.861
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: 6
=====================================
Write number: 386
Temperature: 1.350000
Total energy: -534.539771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.539771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.539771 (E_RNA)
where:
Base-Base interactions energy: -307.771
where: short stacking energy: -149.723
Base-Backbone interact. energy: 4.267
local terms energy: -231.035795
where:
bonds (distance) C4'-P energy: -75.832
bonds (distance) P-C4' energy: -75.069
flat angles C4'-P-C4' energy: -52.286
flat angles P-C4'-P energy: -24.684
tors. eta vs tors. theta energy: -3.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 387
Temperature: 0.900000
Total energy: -1382.105861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1382.105861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1382.105861 (E_RNA)
where:
Base-Base interactions energy: -970.809
where: short stacking energy: -408.285
Base-Backbone interact. energy: -1.454
local terms energy: -409.842978
where:
bonds (distance) C4'-P energy: -67.193
bonds (distance) P-C4' energy: -84.727
flat angles C4'-P-C4' energy: -80.561
flat angles P-C4'-P energy: -64.298
tors. eta vs tors. theta energy: -113.065
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: 5
=====================================
Write number: 387
Temperature: 0.950000
Total energy: -1362.668156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1362.668156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1362.668156 (E_RNA)
where:
Base-Base interactions energy: -945.949
where: short stacking energy: -401.240
Base-Backbone interact. energy: -2.538
local terms energy: -414.180996
where:
bonds (distance) C4'-P energy: -71.006
bonds (distance) P-C4' energy: -77.088
flat angles C4'-P-C4' energy: -87.460
flat angles P-C4'-P energy: -56.652
tors. eta vs tors. theta energy: -121.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 387
Temperature: 1.000000
Total energy: -1300.996034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1300.996034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1300.996034 (E_RNA)
where:
Base-Base interactions energy: -901.298
where: short stacking energy: -369.231
Base-Backbone interact. energy: -0.660
local terms energy: -399.038450
where:
bonds (distance) C4'-P energy: -83.887
bonds (distance) P-C4' energy: -66.880
flat angles C4'-P-C4' energy: -85.814
flat angles P-C4'-P energy: -55.592
tors. eta vs tors. theta energy: -106.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 387
Temperature: 1.050000
Total energy: -1230.908161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1230.908161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1230.908161 (E_RNA)
where:
Base-Base interactions energy: -827.514
where: short stacking energy: -362.121
Base-Backbone interact. energy: -1.841
local terms energy: -401.552369
where:
bonds (distance) C4'-P energy: -82.500
bonds (distance) P-C4' energy: -77.757
flat angles C4'-P-C4' energy: -84.958
flat angles P-C4'-P energy: -46.244
tors. eta vs tors. theta energy: -110.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 387
Temperature: 1.100000
Total energy: -1176.484323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1176.484323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1176.484323 (E_RNA)
where:
Base-Base interactions energy: -802.992
where: short stacking energy: -341.898
Base-Backbone interact. energy: -2.216
local terms energy: -371.276367
where:
bonds (distance) C4'-P energy: -68.989
bonds (distance) P-C4' energy: -69.469
flat angles C4'-P-C4' energy: -83.147
flat angles P-C4'-P energy: -49.670
tors. eta vs tors. theta energy: -100.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 387
Temperature: 1.150000
Total energy: -1122.140838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1122.140838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1122.140838 (E_RNA)
where:
Base-Base interactions energy: -785.167
where: short stacking energy: -335.513
Base-Backbone interact. energy: 1.482
local terms energy: -338.456369
where:
bonds (distance) C4'-P energy: -63.925
bonds (distance) P-C4' energy: -65.080
flat angles C4'-P-C4' energy: -68.079
flat angles P-C4'-P energy: -53.090
tors. eta vs tors. theta energy: -88.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 387
Temperature: 1.200000
Total energy: -974.822420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -974.822420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -974.822420 (E_RNA)
where:
Base-Base interactions energy: -660.077
where: short stacking energy: -296.466
Base-Backbone interact. energy: 2.163
local terms energy: -316.992072
where:
bonds (distance) C4'-P energy: -62.573
bonds (distance) P-C4' energy: -78.507
flat angles C4'-P-C4' energy: -54.808
flat angles P-C4'-P energy: -41.136
tors. eta vs tors. theta energy: -79.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.083 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 387
Temperature: 1.250000
Total energy: -796.106295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -796.106295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -796.106295 (E_RNA)
where:
Base-Base interactions energy: -493.902
where: short stacking energy: -249.410
Base-Backbone interact. energy: -0.448
local terms energy: -301.756591
where:
bonds (distance) C4'-P energy: -60.419
bonds (distance) P-C4' energy: -62.458
flat angles C4'-P-C4' energy: -66.581
flat angles P-C4'-P energy: -57.203
tors. eta vs tors. theta energy: -55.096
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: 2
=====================================
Write number: 387
Temperature: 1.300000
Total energy: -586.672366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -586.672366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -586.672366 (E_RNA)
where:
Base-Base interactions energy: -331.061
where: short stacking energy: -175.539
Base-Backbone interact. energy: -1.751
local terms energy: -253.860457
where:
bonds (distance) C4'-P energy: -76.898
bonds (distance) P-C4' energy: -53.367
flat angles C4'-P-C4' energy: -58.388
flat angles P-C4'-P energy: -43.175
tors. eta vs tors. theta energy: -22.033
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: 6
=====================================
Write number: 387
Temperature: 1.350000
Total energy: -544.475052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.475052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.475052 (E_RNA)
where:
Base-Base interactions energy: -332.718
where: short stacking energy: -163.133
Base-Backbone interact. energy: -1.739
local terms energy: -210.018409
where:
bonds (distance) C4'-P energy: -52.741
bonds (distance) P-C4' energy: -55.365
flat angles C4'-P-C4' energy: -56.801
flat angles P-C4'-P energy: -33.202
tors. eta vs tors. theta energy: -11.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 388
Temperature: 0.900000
Total energy: -1401.879037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1401.879037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1401.879037 (E_RNA)
where:
Base-Base interactions energy: -980.540
where: short stacking energy: -407.901
Base-Backbone interact. energy: -1.104
local terms energy: -420.235128
where:
bonds (distance) C4'-P energy: -80.764
bonds (distance) P-C4' energy: -71.478
flat angles C4'-P-C4' energy: -90.462
flat angles P-C4'-P energy: -64.706
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: 2, replica: 5
=====================================
Write number: 388
Temperature: 0.950000
Total energy: -1358.632161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1358.632161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1358.632161 (E_RNA)
where:
Base-Base interactions energy: -958.063
where: short stacking energy: -398.346
Base-Backbone interact. energy: -2.077
local terms energy: -398.491738
where:
bonds (distance) C4'-P energy: -71.164
bonds (distance) P-C4' energy: -63.809
flat angles C4'-P-C4' energy: -86.645
flat angles P-C4'-P energy: -59.571
tors. eta vs tors. theta energy: -117.304
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: 9
=====================================
Write number: 388
Temperature: 1.000000
Total energy: -1296.260099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1296.260099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1296.260099 (E_RNA)
where:
Base-Base interactions energy: -918.577
where: short stacking energy: -370.719
Base-Backbone interact. energy: 1.628
local terms energy: -379.311542
where:
bonds (distance) C4'-P energy: -83.714
bonds (distance) P-C4' energy: -66.037
flat angles C4'-P-C4' energy: -72.007
flat angles P-C4'-P energy: -55.436
tors. eta vs tors. theta energy: -102.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 388
Temperature: 1.050000
Total energy: -1209.742679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1209.742679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1209.742679 (E_RNA)
where:
Base-Base interactions energy: -827.915
where: short stacking energy: -355.385
Base-Backbone interact. energy: 1.951
local terms energy: -383.779195
where:
bonds (distance) C4'-P energy: -69.190
bonds (distance) P-C4' energy: -73.714
flat angles C4'-P-C4' energy: -73.395
flat angles P-C4'-P energy: -56.226
tors. eta vs tors. theta energy: -111.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 388
Temperature: 1.100000
Total energy: -1175.798596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1175.798596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1175.798596 (E_RNA)
where:
Base-Base interactions energy: -821.865
where: short stacking energy: -343.127
Base-Backbone interact. energy: -4.867
local terms energy: -349.066342
where:
bonds (distance) C4'-P energy: -53.002
bonds (distance) P-C4' energy: -72.725
flat angles C4'-P-C4' energy: -77.594
flat angles P-C4'-P energy: -56.646
tors. eta vs tors. theta energy: -89.099
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: 10
=====================================
Write number: 388
Temperature: 1.150000
Total energy: -1124.104001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1124.104001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1124.104001 (E_RNA)
where:
Base-Base interactions energy: -769.069
where: short stacking energy: -331.200
Base-Backbone interact. energy: -0.256
local terms energy: -354.778559
where:
bonds (distance) C4'-P energy: -69.597
bonds (distance) P-C4' energy: -79.189
flat angles C4'-P-C4' energy: -81.976
flat angles P-C4'-P energy: -36.896
tors. eta vs tors. theta energy: -87.121
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: 7, replica: 1
=====================================
Write number: 388
Temperature: 1.200000
Total energy: -1014.453976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1014.453976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1014.453976 (E_RNA)
where:
Base-Base interactions energy: -663.935
where: short stacking energy: -297.348
Base-Backbone interact. energy: 0.233
local terms energy: -350.890315
where:
bonds (distance) C4'-P energy: -78.314
bonds (distance) P-C4' energy: -75.612
flat angles C4'-P-C4' energy: -79.919
flat angles P-C4'-P energy: -38.465
tors. eta vs tors. theta energy: -78.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.139 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 388
Temperature: 1.250000
Total energy: -824.645272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -824.645272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -824.645272 (E_RNA)
where:
Base-Base interactions energy: -518.924
where: short stacking energy: -232.755
Base-Backbone interact. energy: 0.424
local terms energy: -306.144923
where:
bonds (distance) C4'-P energy: -66.840
bonds (distance) P-C4' energy: -79.504
flat angles C4'-P-C4' energy: -67.633
flat angles P-C4'-P energy: -39.609
tors. eta vs tors. theta energy: -52.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 388
Temperature: 1.300000
Total energy: -595.771375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -595.771375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -595.771375 (E_RNA)
where:
Base-Base interactions energy: -359.930
where: short stacking energy: -186.528
Base-Backbone interact. energy: -3.283
local terms energy: -232.557929
where:
bonds (distance) C4'-P energy: -49.543
bonds (distance) P-C4' energy: -67.475
flat angles C4'-P-C4' energy: -76.209
flat angles P-C4'-P energy: -27.738
tors. eta vs tors. theta energy: -11.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 388
Temperature: 1.350000
Total energy: -550.655242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.655242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.655242 (E_RNA)
where:
Base-Base interactions energy: -320.819
where: short stacking energy: -165.717
Base-Backbone interact. energy: -1.711
local terms energy: -228.124748
where:
bonds (distance) C4'-P energy: -57.607
bonds (distance) P-C4' energy: -62.441
flat angles C4'-P-C4' energy: -67.498
flat angles P-C4'-P energy: -30.314
tors. eta vs tors. theta energy: -10.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 389
Temperature: 0.900000
Total energy: -1393.428041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1393.428041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1393.428041 (E_RNA)
where:
Base-Base interactions energy: -987.550
where: short stacking energy: -401.081
Base-Backbone interact. energy: -0.454
local terms energy: -405.423786
where:
bonds (distance) C4'-P energy: -71.926
bonds (distance) P-C4' energy: -87.816
flat angles C4'-P-C4' energy: -85.894
flat angles P-C4'-P energy: -50.264
tors. eta vs tors. theta energy: -109.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 389
Temperature: 0.950000
Total energy: -1363.739457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1363.739457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1363.739457 (E_RNA)
where:
Base-Base interactions energy: -949.234
where: short stacking energy: -407.401
Base-Backbone interact. energy: -1.132
local terms energy: -413.373963
where:
bonds (distance) C4'-P energy: -74.612
bonds (distance) P-C4' energy: -68.412
flat angles C4'-P-C4' energy: -87.644
flat angles P-C4'-P energy: -60.422
tors. eta vs tors. theta energy: -122.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 389
Temperature: 1.000000
Total energy: -1299.338436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1299.338436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1299.338436 (E_RNA)
where:
Base-Base interactions energy: -918.179
where: short stacking energy: -375.185
Base-Backbone interact. energy: 0.384
local terms energy: -381.543060
where:
bonds (distance) C4'-P energy: -58.472
bonds (distance) P-C4' energy: -74.741
flat angles C4'-P-C4' energy: -93.387
flat angles P-C4'-P energy: -51.958
tors. eta vs tors. theta energy: -102.984
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: 4, replica: 3
=====================================
Write number: 389
Temperature: 1.050000
Total energy: -1220.354860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1220.354860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1220.354860 (E_RNA)
where:
Base-Base interactions energy: -832.738
where: short stacking energy: -349.060
Base-Backbone interact. energy: -1.232
local terms energy: -386.385118
where:
bonds (distance) C4'-P energy: -66.116
bonds (distance) P-C4' energy: -63.836
flat angles C4'-P-C4' energy: -87.909
flat angles P-C4'-P energy: -58.204
tors. eta vs tors. theta energy: -110.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 389
Temperature: 1.100000
Total energy: -1169.948694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1169.948694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1169.948694 (E_RNA)
where:
Base-Base interactions energy: -814.759
where: short stacking energy: -332.674
Base-Backbone interact. energy: -0.529
local terms energy: -354.661190
where:
bonds (distance) C4'-P energy: -67.938
bonds (distance) P-C4' energy: -76.976
flat angles C4'-P-C4' energy: -83.219
flat angles P-C4'-P energy: -47.532
tors. eta vs tors. theta energy: -78.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 389
Temperature: 1.150000
Total energy: -1066.601396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1066.601396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1066.601396 (E_RNA)
where:
Base-Base interactions energy: -743.173
where: short stacking energy: -299.049
Base-Backbone interact. energy: -2.018
local terms energy: -321.410871
where:
bonds (distance) C4'-P energy: -64.652
bonds (distance) P-C4' energy: -59.250
flat angles C4'-P-C4' energy: -73.423
flat angles P-C4'-P energy: -49.579
tors. eta vs tors. theta energy: -74.506
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: 389
Temperature: 1.200000
Total energy: -951.177041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -951.177041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -951.177041 (E_RNA)
where:
Base-Base interactions energy: -638.372
where: short stacking energy: -283.584
Base-Backbone interact. energy: -0.918
local terms energy: -311.887479
where:
bonds (distance) C4'-P energy: -65.142
bonds (distance) P-C4' energy: -67.629
flat angles C4'-P-C4' energy: -69.430
flat angles P-C4'-P energy: -34.786
tors. eta vs tors. theta energy: -74.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 389
Temperature: 1.250000
Total energy: -826.404374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -826.404374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -826.404374 (E_RNA)
where:
Base-Base interactions energy: -542.796
where: short stacking energy: -242.906
Base-Backbone interact. energy: -1.286
local terms energy: -282.322193
where:
bonds (distance) C4'-P energy: -64.223
bonds (distance) P-C4' energy: -65.081
flat angles C4'-P-C4' energy: -67.260
flat angles P-C4'-P energy: -38.064
tors. eta vs tors. theta energy: -47.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 389
Temperature: 1.300000
Total energy: -627.249375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -627.249375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -627.249375 (E_RNA)
where:
Base-Base interactions energy: -375.232
where: short stacking energy: -172.273
Base-Backbone interact. energy: 1.600
local terms energy: -253.617748
where:
bonds (distance) C4'-P energy: -51.660
bonds (distance) P-C4' energy: -78.731
flat angles C4'-P-C4' energy: -64.735
flat angles P-C4'-P energy: -39.367
tors. eta vs tors. theta energy: -19.124
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: 389
Temperature: 1.350000
Total energy: -618.164167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -618.164167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -618.164167 (E_RNA)
where:
Base-Base interactions energy: -375.297
where: short stacking energy: -181.215
Base-Backbone interact. energy: -0.694
local terms energy: -242.173521
where:
bonds (distance) C4'-P energy: -71.029
bonds (distance) P-C4' energy: -75.213
flat angles C4'-P-C4' energy: -46.134
flat angles P-C4'-P energy: -23.139
tors. eta vs tors. theta energy: -26.658
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: 390
Temperature: 0.900000
Total energy: -1399.257478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1399.257478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1399.257478 (E_RNA)
where:
Base-Base interactions energy: -970.702
where: short stacking energy: -413.658
Base-Backbone interact. energy: -0.696
local terms energy: -427.860237
where:
bonds (distance) C4'-P energy: -79.658
bonds (distance) P-C4' energy: -85.088
flat angles C4'-P-C4' energy: -85.806
flat angles P-C4'-P energy: -62.723
tors. eta vs tors. theta energy: -114.585
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: 390
Temperature: 0.950000
Total energy: -1343.777489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1343.777489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1343.777489 (E_RNA)
where:
Base-Base interactions energy: -923.037
where: short stacking energy: -406.714
Base-Backbone interact. energy: -1.360
local terms energy: -419.381206
where:
bonds (distance) C4'-P energy: -74.359
bonds (distance) P-C4' energy: -85.487
flat angles C4'-P-C4' energy: -79.304
flat angles P-C4'-P energy: -57.615
tors. eta vs tors. theta energy: -122.616
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: 9
=====================================
Write number: 390
Temperature: 1.000000
Total energy: -1282.352257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1282.352257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1282.352257 (E_RNA)
where:
Base-Base interactions energy: -893.392
where: short stacking energy: -366.161
Base-Backbone interact. energy: 0.114
local terms energy: -389.073835
where:
bonds (distance) C4'-P energy: -78.347
bonds (distance) P-C4' energy: -80.855
flat angles C4'-P-C4' energy: -82.086
flat angles P-C4'-P energy: -46.692
tors. eta vs tors. theta energy: -101.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 390
Temperature: 1.050000
Total energy: -1215.843976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1215.843976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1215.843976 (E_RNA)
where:
Base-Base interactions energy: -823.132
where: short stacking energy: -360.260
Base-Backbone interact. energy: 0.342
local terms energy: -393.053003
where:
bonds (distance) C4'-P energy: -79.503
bonds (distance) P-C4' energy: -74.979
flat angles C4'-P-C4' energy: -81.952
flat angles P-C4'-P energy: -51.355
tors. eta vs tors. theta energy: -105.264
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: 4
=====================================
Write number: 390
Temperature: 1.100000
Total energy: -1158.570525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1158.570525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1158.570525 (E_RNA)
where:
Base-Base interactions energy: -820.733
where: short stacking energy: -349.175
Base-Backbone interact. energy: -0.548
local terms energy: -337.289843
where:
bonds (distance) C4'-P energy: -62.682
bonds (distance) P-C4' energy: -69.255
flat angles C4'-P-C4' energy: -84.572
flat angles P-C4'-P energy: -40.088
tors. eta vs tors. theta energy: -80.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 390
Temperature: 1.150000
Total energy: -1059.445616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1059.445616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1059.445616 (E_RNA)
where:
Base-Base interactions energy: -741.113
where: short stacking energy: -315.999
Base-Backbone interact. energy: 3.897
local terms energy: -322.229700
where:
bonds (distance) C4'-P energy: -64.329
bonds (distance) P-C4' energy: -66.377
flat angles C4'-P-C4' energy: -71.076
flat angles P-C4'-P energy: -49.248
tors. eta vs tors. theta energy: -71.200
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: 390
Temperature: 1.200000
Total energy: -983.503268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -983.503268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -983.503268 (E_RNA)
where:
Base-Base interactions energy: -651.898
where: short stacking energy: -301.753
Base-Backbone interact. energy: 3.366
local terms energy: -334.971705
where:
bonds (distance) C4'-P energy: -64.457
bonds (distance) P-C4' energy: -72.729
flat angles C4'-P-C4' energy: -78.070
flat angles P-C4'-P energy: -46.921
tors. eta vs tors. theta energy: -72.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 390
Temperature: 1.250000
Total energy: -842.151563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -842.151563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -842.151563 (E_RNA)
where:
Base-Base interactions energy: -533.490
where: short stacking energy: -254.356
Base-Backbone interact. energy: -0.502
local terms energy: -308.159522
where:
bonds (distance) C4'-P energy: -56.795
bonds (distance) P-C4' energy: -79.137
flat angles C4'-P-C4' energy: -67.798
flat angles P-C4'-P energy: -39.029
tors. eta vs tors. theta energy: -65.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 390
Temperature: 1.300000
Total energy: -683.606359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -683.606359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -683.606359 (E_RNA)
where:
Base-Base interactions energy: -401.955
where: short stacking energy: -187.862
Base-Backbone interact. energy: 0.074
local terms energy: -281.725070
where:
bonds (distance) C4'-P energy: -72.836
bonds (distance) P-C4' energy: -68.018
flat angles C4'-P-C4' energy: -69.258
flat angles P-C4'-P energy: -52.609
tors. eta vs tors. theta energy: -19.004
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: 10, replica: 2
=====================================
Write number: 390
Temperature: 1.350000
Total energy: -580.667801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -580.667801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -580.667801 (E_RNA)
where:
Base-Base interactions energy: -353.138
where: short stacking energy: -160.801
Base-Backbone interact. energy: 0.336
local terms energy: -227.865840
where:
bonds (distance) C4'-P energy: -60.028
bonds (distance) P-C4' energy: -64.181
flat angles C4'-P-C4' energy: -49.639
flat angles P-C4'-P energy: -34.124
tors. eta vs tors. theta energy: -19.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 391
Temperature: 0.900000
Total energy: -1401.576600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1401.576600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1401.576600 (E_RNA)
where:
Base-Base interactions energy: -982.797
where: short stacking energy: -399.748
Base-Backbone interact. energy: -1.444
local terms energy: -417.335463
where:
bonds (distance) C4'-P energy: -77.199
bonds (distance) P-C4' energy: -85.533
flat angles C4'-P-C4' energy: -81.179
flat angles P-C4'-P energy: -66.157
tors. eta vs tors. theta energy: -107.267
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: 5
=====================================
Write number: 391
Temperature: 0.950000
Total energy: -1346.595831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1346.595831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1346.595831 (E_RNA)
where:
Base-Base interactions energy: -933.898
where: short stacking energy: -407.576
Base-Backbone interact. energy: -3.238
local terms energy: -409.460413
where:
bonds (distance) C4'-P energy: -70.336
bonds (distance) P-C4' energy: -80.613
flat angles C4'-P-C4' energy: -87.403
flat angles P-C4'-P energy: -53.590
tors. eta vs tors. theta energy: -117.519
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: 9
=====================================
Write number: 391
Temperature: 1.000000
Total energy: -1295.283913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1295.283913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1295.283913 (E_RNA)
where:
Base-Base interactions energy: -916.961
where: short stacking energy: -370.650
Base-Backbone interact. energy: -0.468
local terms energy: -377.855522
where:
bonds (distance) C4'-P energy: -70.168
bonds (distance) P-C4' energy: -72.154
flat angles C4'-P-C4' energy: -83.736
flat angles P-C4'-P energy: -51.289
tors. eta vs tors. theta energy: -100.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 391
Temperature: 1.050000
Total energy: -1203.050685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1203.050685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1203.050685 (E_RNA)
where:
Base-Base interactions energy: -823.693
where: short stacking energy: -347.689
Base-Backbone interact. energy: 0.128
local terms energy: -379.485772
where:
bonds (distance) C4'-P energy: -69.557
bonds (distance) P-C4' energy: -76.775
flat angles C4'-P-C4' energy: -85.660
flat angles P-C4'-P energy: -47.944
tors. eta vs tors. theta energy: -99.550
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: 3
=====================================
Write number: 391
Temperature: 1.100000
Total energy: -1158.316968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1158.316968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1158.316968 (E_RNA)
where:
Base-Base interactions energy: -779.632
where: short stacking energy: -352.458
Base-Backbone interact. energy: -0.494
local terms energy: -378.190506
where:
bonds (distance) C4'-P energy: -77.522
bonds (distance) P-C4' energy: -74.973
flat angles C4'-P-C4' energy: -75.441
flat angles P-C4'-P energy: -49.431
tors. eta vs tors. theta energy: -100.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 391
Temperature: 1.150000
Total energy: -1052.122973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1052.122973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1052.122973 (E_RNA)
where:
Base-Base interactions energy: -708.292
where: short stacking energy: -332.999
Base-Backbone interact. energy: -0.994
local terms energy: -342.837051
where:
bonds (distance) C4'-P energy: -67.143
bonds (distance) P-C4' energy: -63.028
flat angles C4'-P-C4' energy: -74.253
flat angles P-C4'-P energy: -53.776
tors. eta vs tors. theta energy: -84.637
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: 10
=====================================
Write number: 391
Temperature: 1.200000
Total energy: -994.789988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -994.789988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -994.789988 (E_RNA)
where:
Base-Base interactions energy: -675.155
where: short stacking energy: -276.091
Base-Backbone interact. energy: 4.870
local terms energy: -324.505291
where:
bonds (distance) C4'-P energy: -64.091
bonds (distance) P-C4' energy: -70.856
flat angles C4'-P-C4' energy: -69.174
flat angles P-C4'-P energy: -43.127
tors. eta vs tors. theta energy: -77.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 391
Temperature: 1.250000
Total energy: -869.135693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -869.135693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -869.135693 (E_RNA)
where:
Base-Base interactions energy: -577.116
where: short stacking energy: -233.211
Base-Backbone interact. energy: 0.469
local terms energy: -292.488832
where:
bonds (distance) C4'-P energy: -68.116
bonds (distance) P-C4' energy: -71.775
flat angles C4'-P-C4' energy: -68.587
flat angles P-C4'-P energy: -43.314
tors. eta vs tors. theta energy: -40.698
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: 9, replica: 6
=====================================
Write number: 391
Temperature: 1.300000
Total energy: -669.659462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -669.659462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -669.659462 (E_RNA)
where:
Base-Base interactions energy: -412.930
where: short stacking energy: -188.045
Base-Backbone interact. energy: 0.669
local terms energy: -257.398405
where:
bonds (distance) C4'-P energy: -64.733
bonds (distance) P-C4' energy: -55.767
flat angles C4'-P-C4' energy: -65.159
flat angles P-C4'-P energy: -43.811
tors. eta vs tors. theta energy: -27.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 391
Temperature: 1.350000
Total energy: -626.356551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -626.356551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -626.356551 (E_RNA)
where:
Base-Base interactions energy: -358.259
where: short stacking energy: -177.500
Base-Backbone interact. energy: -1.298
local terms energy: -266.799869
where:
bonds (distance) C4'-P energy: -70.946
bonds (distance) P-C4' energy: -61.602
flat angles C4'-P-C4' energy: -65.570
flat angles P-C4'-P energy: -39.072
tors. eta vs tors. theta energy: -29.609
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: 1, replica: 5
=====================================
Write number: 392
Temperature: 0.900000
Total energy: -1394.742783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1394.742783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1394.742783 (E_RNA)
where:
Base-Base interactions energy: -971.523
where: short stacking energy: -423.066
Base-Backbone interact. energy: -4.376
local terms energy: -418.842859
where:
bonds (distance) C4'-P energy: -67.993
bonds (distance) P-C4' energy: -77.507
flat angles C4'-P-C4' energy: -94.589
flat angles P-C4'-P energy: -58.370
tors. eta vs tors. theta energy: -120.384
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: 7
=====================================
Write number: 392
Temperature: 0.950000
Total energy: -1354.475880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1354.475880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1354.475880 (E_RNA)
where:
Base-Base interactions energy: -955.185
where: short stacking energy: -392.441
Base-Backbone interact. energy: -3.677
local terms energy: -395.613700
where:
bonds (distance) C4'-P energy: -81.931
bonds (distance) P-C4' energy: -69.191
flat angles C4'-P-C4' energy: -78.143
flat angles P-C4'-P energy: -55.306
tors. eta vs tors. theta energy: -111.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 392
Temperature: 1.000000
Total energy: -1290.880094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1290.880094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1290.880094 (E_RNA)
where:
Base-Base interactions energy: -915.740
where: short stacking energy: -392.007
Base-Backbone interact. energy: 0.717
local terms energy: -375.856655
where:
bonds (distance) C4'-P energy: -76.965
bonds (distance) P-C4' energy: -64.422
flat angles C4'-P-C4' energy: -76.959
flat angles P-C4'-P energy: -56.338
tors. eta vs tors. theta energy: -101.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 392
Temperature: 1.050000
Total energy: -1188.327397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1188.327397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1188.327397 (E_RNA)
where:
Base-Base interactions energy: -825.700
where: short stacking energy: -359.056
Base-Backbone interact. energy: -1.119
local terms energy: -361.508944
where:
bonds (distance) C4'-P energy: -64.868
bonds (distance) P-C4' energy: -77.643
flat angles C4'-P-C4' energy: -77.263
flat angles P-C4'-P energy: -48.019
tors. eta vs tors. theta energy: -93.716
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: 3
=====================================
Write number: 392
Temperature: 1.100000
Total energy: -1164.483435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1164.483435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1164.483435 (E_RNA)
where:
Base-Base interactions energy: -769.388
where: short stacking energy: -336.805
Base-Backbone interact. energy: 0.775
local terms energy: -395.869504
where:
bonds (distance) C4'-P energy: -71.850
bonds (distance) P-C4' energy: -76.942
flat angles C4'-P-C4' energy: -79.741
flat angles P-C4'-P energy: -56.644
tors. eta vs tors. theta energy: -110.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 392
Temperature: 1.150000
Total energy: -1041.971450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1041.971450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1041.971450 (E_RNA)
where:
Base-Base interactions energy: -697.967
where: short stacking energy: -340.118
Base-Backbone interact. energy: 0.690
local terms energy: -344.694827
where:
bonds (distance) C4'-P energy: -61.172
bonds (distance) P-C4' energy: -57.963
flat angles C4'-P-C4' energy: -79.081
flat angles P-C4'-P energy: -58.498
tors. eta vs tors. theta energy: -87.980
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: 7, replica: 10
=====================================
Write number: 392
Temperature: 1.200000
Total energy: -1012.620069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1012.620069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1012.620069 (E_RNA)
where:
Base-Base interactions energy: -692.094
where: short stacking energy: -275.500
Base-Backbone interact. energy: -3.113
local terms energy: -317.413340
where:
bonds (distance) C4'-P energy: -74.520
bonds (distance) P-C4' energy: -63.934
flat angles C4'-P-C4' energy: -71.199
flat angles P-C4'-P energy: -44.391
tors. eta vs tors. theta energy: -63.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 392
Temperature: 1.250000
Total energy: -888.982375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -888.982375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -888.982375 (E_RNA)
where:
Base-Base interactions energy: -578.510
where: short stacking energy: -261.527
Base-Backbone interact. energy: -0.561
local terms energy: -309.911299
where:
bonds (distance) C4'-P energy: -55.450
bonds (distance) P-C4' energy: -63.427
flat angles C4'-P-C4' energy: -74.406
flat angles P-C4'-P energy: -44.214
tors. eta vs tors. theta energy: -72.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 392
Temperature: 1.300000
Total energy: -642.863417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -642.863417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -642.863417 (E_RNA)
where:
Base-Base interactions energy: -395.626
where: short stacking energy: -181.930
Base-Backbone interact. energy: -0.798
local terms energy: -246.439039
where:
bonds (distance) C4'-P energy: -62.814
bonds (distance) P-C4' energy: -69.216
flat angles C4'-P-C4' energy: -63.119
flat angles P-C4'-P energy: -34.066
tors. eta vs tors. theta energy: -17.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 392
Temperature: 1.350000
Total energy: -653.094653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -653.094653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -653.094653 (E_RNA)
where:
Base-Base interactions energy: -406.432
where: short stacking energy: -192.426
Base-Backbone interact. energy: -2.254
local terms energy: -244.409559
where:
bonds (distance) C4'-P energy: -69.116
bonds (distance) P-C4' energy: -48.260
flat angles C4'-P-C4' energy: -59.026
flat angles P-C4'-P energy: -41.062
tors. eta vs tors. theta energy: -26.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 393
Temperature: 0.900000
Total energy: -1378.727585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1378.727585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1378.727585 (E_RNA)
where:
Base-Base interactions energy: -967.792
where: short stacking energy: -417.636
Base-Backbone interact. energy: -0.174
local terms energy: -410.761726
where:
bonds (distance) C4'-P energy: -70.563
bonds (distance) P-C4' energy: -76.960
flat angles C4'-P-C4' energy: -80.490
flat angles P-C4'-P energy: -63.075
tors. eta vs tors. theta energy: -119.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 393
Temperature: 0.950000
Total energy: -1386.048475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1386.048475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1386.048475 (E_RNA)
where:
Base-Base interactions energy: -988.814
where: short stacking energy: -405.733
Base-Backbone interact. energy: 1.195
local terms energy: -398.429654
where:
bonds (distance) C4'-P energy: -64.705
bonds (distance) P-C4' energy: -81.018
flat angles C4'-P-C4' energy: -86.515
flat angles P-C4'-P energy: -55.220
tors. eta vs tors. theta energy: -110.971
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: 9
=====================================
Write number: 393
Temperature: 1.000000
Total energy: -1287.943532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1287.943532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1287.943532 (E_RNA)
where:
Base-Base interactions energy: -899.300
where: short stacking energy: -364.512
Base-Backbone interact. energy: -2.280
local terms energy: -386.362620
where:
bonds (distance) C4'-P energy: -78.693
bonds (distance) P-C4' energy: -77.337
flat angles C4'-P-C4' energy: -81.751
flat angles P-C4'-P energy: -55.706
tors. eta vs tors. theta energy: -92.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 393
Temperature: 1.050000
Total energy: -1254.391186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1254.391186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1254.391186 (E_RNA)
where:
Base-Base interactions energy: -871.328
where: short stacking energy: -358.782
Base-Backbone interact. energy: -1.840
local terms energy: -381.222962
where:
bonds (distance) C4'-P energy: -76.518
bonds (distance) P-C4' energy: -66.392
flat angles C4'-P-C4' energy: -82.724
flat angles P-C4'-P energy: -54.773
tors. eta vs tors. theta energy: -100.816
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: 3
=====================================
Write number: 393
Temperature: 1.100000
Total energy: -1165.961012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1165.961012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1165.961012 (E_RNA)
where:
Base-Base interactions energy: -797.681
where: short stacking energy: -366.776
Base-Backbone interact. energy: -1.760
local terms energy: -366.519739
where:
bonds (distance) C4'-P energy: -61.707
bonds (distance) P-C4' energy: -70.081
flat angles C4'-P-C4' energy: -77.191
flat angles P-C4'-P energy: -51.212
tors. eta vs tors. theta energy: -106.329
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: 1
=====================================
Write number: 393
Temperature: 1.150000
Total energy: -1069.088196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1069.088196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1069.088196 (E_RNA)
where:
Base-Base interactions energy: -713.105
where: short stacking energy: -322.878
Base-Backbone interact. energy: -0.693
local terms energy: -355.290511
where:
bonds (distance) C4'-P energy: -70.729
bonds (distance) P-C4' energy: -66.153
flat angles C4'-P-C4' energy: -73.200
flat angles P-C4'-P energy: -52.349
tors. eta vs tors. theta energy: -92.859
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: 7, replica: 10
=====================================
Write number: 393
Temperature: 1.200000
Total energy: -1016.369518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1016.369518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1016.369518 (E_RNA)
where:
Base-Base interactions energy: -671.294
where: short stacking energy: -285.242
Base-Backbone interact. energy: 0.428
local terms energy: -345.504098
where:
bonds (distance) C4'-P energy: -73.769
bonds (distance) P-C4' energy: -78.825
flat angles C4'-P-C4' energy: -75.431
flat angles P-C4'-P energy: -41.953
tors. eta vs tors. theta energy: -75.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 393
Temperature: 1.250000
Total energy: -861.809888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -861.809888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -861.809888 (E_RNA)
where:
Base-Base interactions energy: -575.298
where: short stacking energy: -254.887
Base-Backbone interact. energy: -2.248
local terms energy: -284.263523
where:
bonds (distance) C4'-P energy: -59.079
bonds (distance) P-C4' energy: -68.694
flat angles C4'-P-C4' energy: -74.785
flat angles P-C4'-P energy: -31.393
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: 6
=====================================
Write number: 393
Temperature: 1.300000
Total energy: -652.131175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -652.131175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -652.131175 (E_RNA)
where:
Base-Base interactions energy: -380.640
where: short stacking energy: -194.482
Base-Backbone interact. energy: -0.711
local terms energy: -270.780145
where:
bonds (distance) C4'-P energy: -61.679
bonds (distance) P-C4' energy: -71.528
flat angles C4'-P-C4' energy: -68.456
flat angles P-C4'-P energy: -42.845
tors. eta vs tors. theta energy: -26.271
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: 2
=====================================
Write number: 393
Temperature: 1.350000
Total energy: -620.223400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -620.223400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -620.223400 (E_RNA)
where:
Base-Base interactions energy: -370.589
where: short stacking energy: -179.514
Base-Backbone interact. energy: -0.301
local terms energy: -249.333408
where:
bonds (distance) C4'-P energy: -61.986
bonds (distance) P-C4' energy: -58.943
flat angles C4'-P-C4' energy: -57.909
flat angles P-C4'-P energy: -47.222
tors. eta vs tors. theta energy: -23.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 394
Temperature: 0.900000
Total energy: -1408.052017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1408.052017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1408.052017 (E_RNA)
where:
Base-Base interactions energy: -974.788
where: short stacking energy: -407.454
Base-Backbone interact. energy: -1.562
local terms energy: -431.702415
where:
bonds (distance) C4'-P energy: -79.846
bonds (distance) P-C4' energy: -80.728
flat angles C4'-P-C4' energy: -93.400
flat angles P-C4'-P energy: -60.413
tors. eta vs tors. theta energy: -117.316
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: 5
=====================================
Write number: 394
Temperature: 0.950000
Total energy: -1332.238254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1332.238254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1332.238254 (E_RNA)
where:
Base-Base interactions energy: -931.794
where: short stacking energy: -395.410
Base-Backbone interact. energy: 0.080
local terms energy: -400.524117
where:
bonds (distance) C4'-P energy: -74.091
bonds (distance) P-C4' energy: -75.946
flat angles C4'-P-C4' energy: -83.118
flat angles P-C4'-P energy: -53.399
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: 3, replica: 9
=====================================
Write number: 394
Temperature: 1.000000
Total energy: -1275.220341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1275.220341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1275.220341 (E_RNA)
where:
Base-Base interactions energy: -879.085
where: short stacking energy: -350.523
Base-Backbone interact. energy: 1.398
local terms energy: -397.533039
where:
bonds (distance) C4'-P energy: -75.460
bonds (distance) P-C4' energy: -76.718
flat angles C4'-P-C4' energy: -93.780
flat angles P-C4'-P energy: -42.761
tors. eta vs tors. theta energy: -108.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 394
Temperature: 1.050000
Total energy: -1237.045061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1237.045061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1237.045061 (E_RNA)
where:
Base-Base interactions energy: -844.427
where: short stacking energy: -366.876
Base-Backbone interact. energy: -2.442
local terms energy: -390.176067
where:
bonds (distance) C4'-P energy: -83.341
bonds (distance) P-C4' energy: -83.120
flat angles C4'-P-C4' energy: -69.989
flat angles P-C4'-P energy: -53.221
tors. eta vs tors. theta energy: -100.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 394
Temperature: 1.100000
Total energy: -1151.869677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1151.869677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1151.869677 (E_RNA)
where:
Base-Base interactions energy: -777.579
where: short stacking energy: -354.354
Base-Backbone interact. energy: 0.261
local terms energy: -374.552225
where:
bonds (distance) C4'-P energy: -76.531
bonds (distance) P-C4' energy: -54.335
flat angles C4'-P-C4' energy: -80.897
flat angles P-C4'-P energy: -52.402
tors. eta vs tors. theta energy: -110.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 394
Temperature: 1.150000
Total energy: -1036.963690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1036.963690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1036.963690 (E_RNA)
where:
Base-Base interactions energy: -683.462
where: short stacking energy: -315.892
Base-Backbone interact. energy: 0.117
local terms energy: -353.618491
where:
bonds (distance) C4'-P energy: -69.469
bonds (distance) P-C4' energy: -69.339
flat angles C4'-P-C4' energy: -72.603
flat angles P-C4'-P energy: -61.962
tors. eta vs tors. theta energy: -80.246
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: 394
Temperature: 1.200000
Total energy: -988.726214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -988.726214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -988.726214 (E_RNA)
where:
Base-Base interactions energy: -671.573
where: short stacking energy: -273.667
Base-Backbone interact. energy: -1.776
local terms energy: -315.377973
where:
bonds (distance) C4'-P energy: -68.582
bonds (distance) P-C4' energy: -69.711
flat angles C4'-P-C4' energy: -63.870
flat angles P-C4'-P energy: -45.723
tors. eta vs tors. theta energy: -67.491
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: 8
=====================================
Write number: 394
Temperature: 1.250000
Total energy: -821.878475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -821.878475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -821.878475 (E_RNA)
where:
Base-Base interactions energy: -547.050
where: short stacking energy: -234.328
Base-Backbone interact. energy: 0.312
local terms energy: -275.140292
where:
bonds (distance) C4'-P energy: -50.797
bonds (distance) P-C4' energy: -61.769
flat angles C4'-P-C4' energy: -62.832
flat angles P-C4'-P energy: -47.964
tors. eta vs tors. theta energy: -51.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 394
Temperature: 1.300000
Total energy: -682.798494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -682.798494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -682.798494 (E_RNA)
where:
Base-Base interactions energy: -426.154
where: short stacking energy: -186.297
Base-Backbone interact. energy: -1.074
local terms energy: -255.569947
where:
bonds (distance) C4'-P energy: -63.628
bonds (distance) P-C4' energy: -67.900
flat angles C4'-P-C4' energy: -45.950
flat angles P-C4'-P energy: -50.241
tors. eta vs tors. theta energy: -27.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 394
Temperature: 1.350000
Total energy: -626.705794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -626.705794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -626.705794 (E_RNA)
where:
Base-Base interactions energy: -374.328
where: short stacking energy: -185.605
Base-Backbone interact. energy: -1.136
local terms energy: -251.241961
where:
bonds (distance) C4'-P energy: -63.824
bonds (distance) P-C4' energy: -70.844
flat angles C4'-P-C4' energy: -64.086
flat angles P-C4'-P energy: -31.419
tors. eta vs tors. theta energy: -21.069
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: 7
=====================================
Write number: 395
Temperature: 0.900000
Total energy: -1396.460056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1396.460056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1396.460056 (E_RNA)
where:
Base-Base interactions energy: -970.662
where: short stacking energy: -384.393
Base-Backbone interact. energy: -0.838
local terms energy: -424.960490
where:
bonds (distance) C4'-P energy: -69.976
bonds (distance) P-C4' energy: -85.095
flat angles C4'-P-C4' energy: -88.574
flat angles P-C4'-P energy: -63.044
tors. eta vs tors. theta energy: -118.271
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: 5
=====================================
Write number: 395
Temperature: 0.950000
Total energy: -1341.152795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1341.152795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1341.152795 (E_RNA)
where:
Base-Base interactions energy: -914.311
where: short stacking energy: -377.388
Base-Backbone interact. energy: -5.400
local terms energy: -421.441666
where:
bonds (distance) C4'-P energy: -71.421
bonds (distance) P-C4' energy: -83.147
flat angles C4'-P-C4' energy: -88.106
flat angles P-C4'-P energy: -65.607
tors. eta vs tors. theta energy: -113.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 395
Temperature: 1.000000
Total energy: -1272.078853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1272.078853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1272.078853 (E_RNA)
where:
Base-Base interactions energy: -895.045
where: short stacking energy: -360.839
Base-Backbone interact. energy: 0.018
local terms energy: -377.051953
where:
bonds (distance) C4'-P energy: -82.315
bonds (distance) P-C4' energy: -71.718
flat angles C4'-P-C4' energy: -76.629
flat angles P-C4'-P energy: -47.224
tors. eta vs tors. theta energy: -99.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 395
Temperature: 1.050000
Total energy: -1220.848545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1220.848545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1220.848545 (E_RNA)
where:
Base-Base interactions energy: -853.274
where: short stacking energy: -343.566
Base-Backbone interact. energy: -0.557
local terms energy: -367.017159
where:
bonds (distance) C4'-P energy: -68.943
bonds (distance) P-C4' energy: -70.645
flat angles C4'-P-C4' energy: -79.648
flat angles P-C4'-P energy: -56.189
tors. eta vs tors. theta energy: -91.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 395
Temperature: 1.100000
Total energy: -1173.182496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1173.182496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1173.182496 (E_RNA)
where:
Base-Base interactions energy: -796.728
where: short stacking energy: -364.700
Base-Backbone interact. energy: 0.268
local terms energy: -376.722494
where:
bonds (distance) C4'-P energy: -74.666
bonds (distance) P-C4' energy: -74.160
flat angles C4'-P-C4' energy: -78.776
flat angles P-C4'-P energy: -50.296
tors. eta vs tors. theta energy: -98.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 395
Temperature: 1.150000
Total energy: -1021.387224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1021.387224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1021.387224 (E_RNA)
where:
Base-Base interactions energy: -671.933
where: short stacking energy: -312.270
Base-Backbone interact. energy: -0.485
local terms energy: -348.968588
where:
bonds (distance) C4'-P energy: -71.737
bonds (distance) P-C4' energy: -65.356
flat angles C4'-P-C4' energy: -73.249
flat angles P-C4'-P energy: -54.101
tors. eta vs tors. theta energy: -84.525
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: 7, replica: 10
=====================================
Write number: 395
Temperature: 1.200000
Total energy: -967.221657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -967.221657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -967.221657 (E_RNA)
where:
Base-Base interactions energy: -671.752
where: short stacking energy: -277.052
Base-Backbone interact. energy: 1.826
local terms energy: -297.295068
where:
bonds (distance) C4'-P energy: -60.955
bonds (distance) P-C4' energy: -71.312
flat angles C4'-P-C4' energy: -64.581
flat angles P-C4'-P energy: -39.177
tors. eta vs tors. theta energy: -61.269
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: 8
=====================================
Write number: 395
Temperature: 1.250000
Total energy: -806.374787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -806.374787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -806.374787 (E_RNA)
where:
Base-Base interactions energy: -547.737
where: short stacking energy: -247.909
Base-Backbone interact. energy: 1.932
local terms energy: -261.264175
where:
bonds (distance) C4'-P energy: -63.553
bonds (distance) P-C4' energy: -54.234
flat angles C4'-P-C4' energy: -70.744
flat angles P-C4'-P energy: -38.813
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: 0.694 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 395
Temperature: 1.300000
Total energy: -670.711944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -670.711944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -670.711944 (E_RNA)
where:
Base-Base interactions energy: -437.518
where: short stacking energy: -186.831
Base-Backbone interact. energy: -0.566
local terms energy: -232.627439
where:
bonds (distance) C4'-P energy: -56.172
bonds (distance) P-C4' energy: -61.668
flat angles C4'-P-C4' energy: -59.751
flat angles P-C4'-P energy: -30.264
tors. eta vs tors. theta energy: -24.772
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: 2
=====================================
Write number: 395
Temperature: 1.350000
Total energy: -684.808496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -684.808496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -684.808496 (E_RNA)
where:
Base-Base interactions energy: -439.226
where: short stacking energy: -210.734
Base-Backbone interact. energy: -0.515
local terms energy: -245.067752
where:
bonds (distance) C4'-P energy: -57.471
bonds (distance) P-C4' energy: -48.656
flat angles C4'-P-C4' energy: -70.548
flat angles P-C4'-P energy: -33.613
tors. eta vs tors. theta energy: -34.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 396
Temperature: 0.900000
Total energy: -1362.914867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1362.914867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1362.914867 (E_RNA)
where:
Base-Base interactions energy: -948.167
where: short stacking energy: -388.824
Base-Backbone interact. energy: -3.333
local terms energy: -411.415117
where:
bonds (distance) C4'-P energy: -75.170
bonds (distance) P-C4' energy: -81.548
flat angles C4'-P-C4' energy: -87.338
flat angles P-C4'-P energy: -55.734
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: 2, replica: 7
=====================================
Write number: 396
Temperature: 0.950000
Total energy: -1369.404575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1369.404575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1369.404575 (E_RNA)
where:
Base-Base interactions energy: -953.136
where: short stacking energy: -391.410
Base-Backbone interact. energy: -1.339
local terms energy: -414.929657
where:
bonds (distance) C4'-P energy: -69.989
bonds (distance) P-C4' energy: -80.623
flat angles C4'-P-C4' energy: -93.526
flat angles P-C4'-P energy: -65.939
tors. eta vs tors. theta energy: -104.852
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: 4
=====================================
Write number: 396
Temperature: 1.000000
Total energy: -1238.985174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1238.985174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1238.985174 (E_RNA)
where:
Base-Base interactions energy: -868.250
where: short stacking energy: -374.572
Base-Backbone interact. energy: -5.663
local terms energy: -365.072764
where:
bonds (distance) C4'-P energy: -66.300
bonds (distance) P-C4' energy: -71.120
flat angles C4'-P-C4' energy: -79.133
flat angles P-C4'-P energy: -55.314
tors. eta vs tors. theta energy: -93.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 396
Temperature: 1.050000
Total energy: -1250.934340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1250.934340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1250.934340 (E_RNA)
where:
Base-Base interactions energy: -859.913
where: short stacking energy: -353.967
Base-Backbone interact. energy: -1.565
local terms energy: -389.456298
where:
bonds (distance) C4'-P energy: -74.768
bonds (distance) P-C4' energy: -81.157
flat angles C4'-P-C4' energy: -78.837
flat angles P-C4'-P energy: -49.569
tors. eta vs tors. theta energy: -105.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 396
Temperature: 1.100000
Total energy: -1167.170942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1167.170942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1167.170942 (E_RNA)
where:
Base-Base interactions energy: -793.789
where: short stacking energy: -362.983
Base-Backbone interact. energy: -0.538
local terms energy: -372.843567
where:
bonds (distance) C4'-P energy: -70.167
bonds (distance) P-C4' energy: -70.225
flat angles C4'-P-C4' energy: -77.262
flat angles P-C4'-P energy: -41.035
tors. eta vs tors. theta energy: -114.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 396
Temperature: 1.150000
Total energy: -996.243398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -996.243398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -996.243398 (E_RNA)
where:
Base-Base interactions energy: -649.304
where: short stacking energy: -304.627
Base-Backbone interact. energy: -0.806
local terms energy: -346.133459
where:
bonds (distance) C4'-P energy: -63.603
bonds (distance) P-C4' energy: -68.150
flat angles C4'-P-C4' energy: -77.287
flat angles P-C4'-P energy: -59.526
tors. eta vs tors. theta energy: -77.567
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: 10
=====================================
Write number: 396
Temperature: 1.200000
Total energy: -1002.266261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1002.266261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1002.266261 (E_RNA)
where:
Base-Base interactions energy: -671.129
where: short stacking energy: -270.129
Base-Backbone interact. energy: -0.421
local terms energy: -330.716497
where:
bonds (distance) C4'-P energy: -65.617
bonds (distance) P-C4' energy: -78.487
flat angles C4'-P-C4' energy: -72.760
flat angles P-C4'-P energy: -57.331
tors. eta vs tors. theta energy: -56.521
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: 8
=====================================
Write number: 396
Temperature: 1.250000
Total energy: -774.483544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -774.483544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -774.483544 (E_RNA)
where:
Base-Base interactions energy: -503.029
where: short stacking energy: -221.451
Base-Backbone interact. energy: -3.406
local terms energy: -268.048338
where:
bonds (distance) C4'-P energy: -53.757
bonds (distance) P-C4' energy: -63.278
flat angles C4'-P-C4' energy: -55.219
flat angles P-C4'-P energy: -53.481
tors. eta vs tors. theta energy: -42.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 396
Temperature: 1.300000
Total energy: -785.729733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -785.729733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -785.729733 (E_RNA)
where:
Base-Base interactions energy: -527.029
where: short stacking energy: -224.868
Base-Backbone interact. energy: -1.465
local terms energy: -257.235708
where:
bonds (distance) C4'-P energy: -38.504
bonds (distance) P-C4' energy: -59.536
flat angles C4'-P-C4' energy: -69.015
flat angles P-C4'-P energy: -49.108
tors. eta vs tors. theta energy: -41.073
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: 6
=====================================
Write number: 396
Temperature: 1.350000
Total energy: -582.540353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -582.540353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -582.540353 (E_RNA)
where:
Base-Base interactions energy: -352.973
where: short stacking energy: -158.310
Base-Backbone interact. energy: 5.012
local terms energy: -234.578998
where:
bonds (distance) C4'-P energy: -68.030
bonds (distance) P-C4' energy: -57.028
flat angles C4'-P-C4' energy: -61.721
flat angles P-C4'-P energy: -39.899
tors. eta vs tors. theta energy: -7.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 397
Temperature: 0.900000
Total energy: -1360.682635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1360.682635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1360.682635 (E_RNA)
where:
Base-Base interactions energy: -948.605
where: short stacking energy: -393.894
Base-Backbone interact. energy: 0.145
local terms energy: -412.223175
where:
bonds (distance) C4'-P energy: -75.653
bonds (distance) P-C4' energy: -76.657
flat angles C4'-P-C4' energy: -84.905
flat angles P-C4'-P energy: -63.132
tors. eta vs tors. theta energy: -111.876
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 397
Temperature: 0.950000
Total energy: -1371.256854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1371.256854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1371.256854 (E_RNA)
where:
Base-Base interactions energy: -950.308
where: short stacking energy: -400.154
Base-Backbone interact. energy: -0.750
local terms energy: -420.198463
where:
bonds (distance) C4'-P energy: -68.735
bonds (distance) P-C4' energy: -82.059
flat angles C4'-P-C4' energy: -87.658
flat angles P-C4'-P energy: -60.835
tors. eta vs tors. theta energy: -120.912
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: 4
=====================================
Write number: 397
Temperature: 1.000000
Total energy: -1242.462038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1242.462038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1242.462038 (E_RNA)
where:
Base-Base interactions energy: -867.964
where: short stacking energy: -363.375
Base-Backbone interact. energy: -1.855
local terms energy: -372.642740
where:
bonds (distance) C4'-P energy: -54.949
bonds (distance) P-C4' energy: -85.245
flat angles C4'-P-C4' energy: -82.446
flat angles P-C4'-P energy: -58.676
tors. eta vs tors. theta energy: -91.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 397
Temperature: 1.050000
Total energy: -1228.056261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1228.056261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1228.056261 (E_RNA)
where:
Base-Base interactions energy: -863.304
where: short stacking energy: -343.150
Base-Backbone interact. energy: 2.117
local terms energy: -366.868715
where:
bonds (distance) C4'-P energy: -74.310
bonds (distance) P-C4' energy: -76.605
flat angles C4'-P-C4' energy: -74.358
flat angles P-C4'-P energy: -45.730
tors. eta vs tors. theta energy: -95.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 397
Temperature: 1.100000
Total energy: -1203.130328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1203.130328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1203.130328 (E_RNA)
where:
Base-Base interactions energy: -825.135
where: short stacking energy: -357.564
Base-Backbone interact. energy: -0.131
local terms energy: -377.864369
where:
bonds (distance) C4'-P energy: -73.803
bonds (distance) P-C4' energy: -64.146
flat angles C4'-P-C4' energy: -71.281
flat angles P-C4'-P energy: -59.055
tors. eta vs tors. theta energy: -109.580
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: 10
=====================================
Write number: 397
Temperature: 1.150000
Total energy: -1045.891943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1045.891943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1045.891943 (E_RNA)
where:
Base-Base interactions energy: -732.755
where: short stacking energy: -302.524
Base-Backbone interact. energy: 0.364
local terms energy: -313.500597
where:
bonds (distance) C4'-P energy: -69.967
bonds (distance) P-C4' energy: -69.667
flat angles C4'-P-C4' energy: -79.989
flat angles P-C4'-P energy: -41.169
tors. eta vs tors. theta energy: -52.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 397
Temperature: 1.200000
Total energy: -998.840350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -998.840350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -998.840350 (E_RNA)
where:
Base-Base interactions energy: -678.972
where: short stacking energy: -292.293
Base-Backbone interact. energy: 0.721
local terms energy: -320.589630
where:
bonds (distance) C4'-P energy: -64.887
bonds (distance) P-C4' energy: -62.838
flat angles C4'-P-C4' energy: -77.284
flat angles P-C4'-P energy: -41.175
tors. eta vs tors. theta energy: -74.405
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: 8, replica: 8
=====================================
Write number: 397
Temperature: 1.250000
Total energy: -791.642197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -791.642197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -791.642197 (E_RNA)
where:
Base-Base interactions energy: -513.391
where: short stacking energy: -232.338
Base-Backbone interact. energy: 0.972
local terms energy: -279.223784
where:
bonds (distance) C4'-P energy: -61.955
bonds (distance) P-C4' energy: -55.917
flat angles C4'-P-C4' energy: -68.875
flat angles P-C4'-P energy: -43.763
tors. eta vs tors. theta energy: -48.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 397
Temperature: 1.300000
Total energy: -746.955233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -746.955233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -746.955233 (E_RNA)
where:
Base-Base interactions energy: -466.206
where: short stacking energy: -211.196
Base-Backbone interact. energy: -1.402
local terms energy: -279.347028
where:
bonds (distance) C4'-P energy: -58.686
bonds (distance) P-C4' energy: -60.767
flat angles C4'-P-C4' energy: -77.277
flat angles P-C4'-P energy: -43.980
tors. eta vs tors. theta energy: -38.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 397
Temperature: 1.350000
Total energy: -588.439324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -588.439324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -588.439324 (E_RNA)
where:
Base-Base interactions energy: -344.270
where: short stacking energy: -181.567
Base-Backbone interact. energy: -0.754
local terms energy: -243.415654
where:
bonds (distance) C4'-P energy: -64.459
bonds (distance) P-C4' energy: -58.424
flat angles C4'-P-C4' energy: -53.110
flat angles P-C4'-P energy: -32.775
tors. eta vs tors. theta energy: -34.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 398
Temperature: 0.900000
Total energy: -1419.344773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1419.344773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1419.344773 (E_RNA)
where:
Base-Base interactions energy: -973.901
where: short stacking energy: -408.720
Base-Backbone interact. energy: -3.253
local terms energy: -442.191225
where:
bonds (distance) C4'-P energy: -82.642
bonds (distance) P-C4' energy: -84.716
flat angles C4'-P-C4' energy: -91.694
flat angles P-C4'-P energy: -62.941
tors. eta vs tors. theta energy: -120.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 398
Temperature: 0.950000
Total energy: -1369.044509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1369.044509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1369.044509 (E_RNA)
where:
Base-Base interactions energy: -940.386
where: short stacking energy: -404.999
Base-Backbone interact. energy: -0.997
local terms energy: -427.661075
where:
bonds (distance) C4'-P energy: -80.408
bonds (distance) P-C4' energy: -72.335
flat angles C4'-P-C4' energy: -92.489
flat angles P-C4'-P energy: -60.256
tors. eta vs tors. theta energy: -122.172
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: 4
=====================================
Write number: 398
Temperature: 1.000000
Total energy: -1263.570973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1263.570973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1263.570973 (E_RNA)
where:
Base-Base interactions energy: -882.287
where: short stacking energy: -371.666
Base-Backbone interact. energy: -3.150
local terms energy: -378.133903
where:
bonds (distance) C4'-P energy: -70.956
bonds (distance) P-C4' energy: -74.307
flat angles C4'-P-C4' energy: -82.146
flat angles P-C4'-P energy: -47.924
tors. eta vs tors. theta energy: -102.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 398
Temperature: 1.050000
Total energy: -1252.873734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1252.873734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1252.873734 (E_RNA)
where:
Base-Base interactions energy: -872.482
where: short stacking energy: -377.858
Base-Backbone interact. energy: 0.927
local terms energy: -381.319381
where:
bonds (distance) C4'-P energy: -82.486
bonds (distance) P-C4' energy: -63.768
flat angles C4'-P-C4' energy: -79.531
flat angles P-C4'-P energy: -50.181
tors. eta vs tors. theta energy: -105.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 398
Temperature: 1.100000
Total energy: -1175.941843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1175.941843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1175.941843 (E_RNA)
where:
Base-Base interactions energy: -815.394
where: short stacking energy: -354.174
Base-Backbone interact. energy: 2.023
local terms energy: -362.570176
where:
bonds (distance) C4'-P energy: -70.119
bonds (distance) P-C4' energy: -74.002
flat angles C4'-P-C4' energy: -70.623
flat angles P-C4'-P energy: -46.967
tors. eta vs tors. theta energy: -100.859
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: 10
=====================================
Write number: 398
Temperature: 1.150000
Total energy: -1022.125175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1022.125175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1022.125175 (E_RNA)
where:
Base-Base interactions energy: -716.691
where: short stacking energy: -290.894
Base-Backbone interact. energy: 0.610
local terms energy: -306.044229
where:
bonds (distance) C4'-P energy: -70.339
bonds (distance) P-C4' energy: -63.291
flat angles C4'-P-C4' energy: -66.504
flat angles P-C4'-P energy: -43.909
tors. eta vs tors. theta energy: -62.000
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: 1
=====================================
Write number: 398
Temperature: 1.200000
Total energy: -1016.204235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1016.204235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1016.204235 (E_RNA)
where:
Base-Base interactions energy: -694.746
where: short stacking energy: -295.581
Base-Backbone interact. energy: 1.816
local terms energy: -323.728918
where:
bonds (distance) C4'-P energy: -63.171
bonds (distance) P-C4' energy: -70.045
flat angles C4'-P-C4' energy: -62.121
flat angles P-C4'-P energy: -49.184
tors. eta vs tors. theta energy: -79.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.455 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 398
Temperature: 1.250000
Total energy: -785.383303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -785.383303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -785.383303 (E_RNA)
where:
Base-Base interactions energy: -493.121
where: short stacking energy: -233.679
Base-Backbone interact. energy: -1.923
local terms energy: -290.482882
where:
bonds (distance) C4'-P energy: -66.478
bonds (distance) P-C4' energy: -62.472
flat angles C4'-P-C4' energy: -72.816
flat angles P-C4'-P energy: -40.214
tors. eta vs tors. theta energy: -48.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.144 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 398
Temperature: 1.300000
Total energy: -778.618492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -778.618492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -778.618492 (E_RNA)
where:
Base-Base interactions energy: -539.795
where: short stacking energy: -228.317
Base-Backbone interact. energy: -1.749
local terms energy: -237.074444
where:
bonds (distance) C4'-P energy: -59.379
bonds (distance) P-C4' energy: -53.965
flat angles C4'-P-C4' energy: -54.561
flat angles P-C4'-P energy: -35.716
tors. eta vs tors. theta energy: -33.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 398
Temperature: 1.350000
Total energy: -547.634615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.634615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.634615 (E_RNA)
where:
Base-Base interactions energy: -313.305
where: short stacking energy: -155.073
Base-Backbone interact. energy: 2.123
local terms energy: -236.452657
where:
bonds (distance) C4'-P energy: -59.803
bonds (distance) P-C4' energy: -66.679
flat angles C4'-P-C4' energy: -58.181
flat angles P-C4'-P energy: -31.836
tors. eta vs tors. theta energy: -19.954
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: 7
=====================================
Write number: 399
Temperature: 0.900000
Total energy: -1408.798512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1408.798512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1408.798512 (E_RNA)
where:
Base-Base interactions energy: -989.198
where: short stacking energy: -414.247
Base-Backbone interact. energy: -2.754
local terms energy: -416.846446
where:
bonds (distance) C4'-P energy: -70.071
bonds (distance) P-C4' energy: -71.030
flat angles C4'-P-C4' energy: -90.907
flat angles P-C4'-P energy: -60.108
tors. eta vs tors. theta energy: -124.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 399
Temperature: 0.950000
Total energy: -1352.533244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1352.533244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1352.533244 (E_RNA)
where:
Base-Base interactions energy: -942.975
where: short stacking energy: -399.210
Base-Backbone interact. energy: -1.829
local terms energy: -407.728493
where:
bonds (distance) C4'-P energy: -77.863
bonds (distance) P-C4' energy: -81.385
flat angles C4'-P-C4' energy: -82.901
flat angles P-C4'-P energy: -51.024
tors. eta vs tors. theta energy: -114.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 399
Temperature: 1.000000
Total energy: -1241.365860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1241.365860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1241.365860 (E_RNA)
where:
Base-Base interactions energy: -854.173
where: short stacking energy: -371.416
Base-Backbone interact. energy: -0.935
local terms energy: -386.257037
where:
bonds (distance) C4'-P energy: -76.599
bonds (distance) P-C4' energy: -68.477
flat angles C4'-P-C4' energy: -81.822
flat angles P-C4'-P energy: -52.031
tors. eta vs tors. theta energy: -107.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 399
Temperature: 1.050000
Total energy: -1225.247217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1225.247217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1225.247217 (E_RNA)
where:
Base-Base interactions energy: -878.193
where: short stacking energy: -346.158
Base-Backbone interact. energy: -0.752
local terms energy: -346.302017
where:
bonds (distance) C4'-P energy: -62.366
bonds (distance) P-C4' energy: -76.847
flat angles C4'-P-C4' energy: -80.417
flat angles P-C4'-P energy: -48.318
tors. eta vs tors. theta energy: -78.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 399
Temperature: 1.100000
Total energy: -1183.109894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1183.109894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1183.109894 (E_RNA)
where:
Base-Base interactions energy: -817.148
where: short stacking energy: -352.263
Base-Backbone interact. energy: 3.342
local terms energy: -369.303946
where:
bonds (distance) C4'-P energy: -83.072
bonds (distance) P-C4' energy: -59.856
flat angles C4'-P-C4' energy: -79.530
flat angles P-C4'-P energy: -43.696
tors. eta vs tors. theta energy: -103.150
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: 6, replica: 10
=====================================
Write number: 399
Temperature: 1.150000
Total energy: -1023.582352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1023.582352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1023.582352 (E_RNA)
where:
Base-Base interactions energy: -709.328
where: short stacking energy: -287.532
Base-Backbone interact. energy: -3.620
local terms energy: -310.634741
where:
bonds (distance) C4'-P energy: -69.627
bonds (distance) P-C4' energy: -60.561
flat angles C4'-P-C4' energy: -76.467
flat angles P-C4'-P energy: -46.302
tors. eta vs tors. theta energy: -57.677
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: 399
Temperature: 1.200000
Total energy: -1026.922314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1026.922314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1026.922314 (E_RNA)
where:
Base-Base interactions energy: -700.634
where: short stacking energy: -321.689
Base-Backbone interact. energy: -0.867
local terms energy: -325.421714
where:
bonds (distance) C4'-P energy: -50.724
bonds (distance) P-C4' energy: -56.458
flat angles C4'-P-C4' energy: -76.438
flat angles P-C4'-P energy: -50.376
tors. eta vs tors. theta energy: -91.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 399
Temperature: 1.250000
Total energy: -758.126142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -758.126142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -758.126142 (E_RNA)
where:
Base-Base interactions energy: -492.423
where: short stacking energy: -208.898
Base-Backbone interact. energy: -0.705
local terms energy: -264.998015
where:
bonds (distance) C4'-P energy: -74.288
bonds (distance) P-C4' energy: -69.158
flat angles C4'-P-C4' energy: -57.026
flat angles P-C4'-P energy: -39.969
tors. eta vs tors. theta energy: -24.557
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: 9, replica: 2
=====================================
Write number: 399
Temperature: 1.300000
Total energy: -793.891054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -793.891054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -793.891054 (E_RNA)
where:
Base-Base interactions energy: -520.650
where: short stacking energy: -214.783
Base-Backbone interact. energy: -2.754
local terms energy: -270.487162
where:
bonds (distance) C4'-P energy: -62.938
bonds (distance) P-C4' energy: -67.082
flat angles C4'-P-C4' energy: -60.773
flat angles P-C4'-P energy: -32.864
tors. eta vs tors. theta energy: -46.830
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: 6
=====================================
Write number: 399
Temperature: 1.350000
Total energy: -548.865236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.865236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.865236 (E_RNA)
where:
Base-Base interactions energy: -334.856
where: short stacking energy: -157.853
Base-Backbone interact. energy: 0.938
local terms energy: -214.947387
where:
bonds (distance) C4'-P energy: -56.783
bonds (distance) P-C4' energy: -69.454
flat angles C4'-P-C4' energy: -52.382
flat angles P-C4'-P energy: -25.839
tors. eta vs tors. theta energy: -10.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 400
Temperature: 0.900000
Total energy: -1408.647792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1408.647792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1408.647792 (E_RNA)
where:
Base-Base interactions energy: -978.923
where: short stacking energy: -414.526
Base-Backbone interact. energy: -2.123
local terms energy: -427.601724
where:
bonds (distance) C4'-P energy: -80.978
bonds (distance) P-C4' energy: -79.005
flat angles C4'-P-C4' energy: -78.721
flat angles P-C4'-P energy: -66.271
tors. eta vs tors. theta energy: -122.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 400
Temperature: 0.950000
Total energy: -1354.648235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1354.648235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1354.648235 (E_RNA)
where:
Base-Base interactions energy: -951.171
where: short stacking energy: -394.175
Base-Backbone interact. energy: -4.913
local terms energy: -398.564204
where:
bonds (distance) C4'-P energy: -70.545
bonds (distance) P-C4' energy: -79.685
flat angles C4'-P-C4' energy: -73.621
flat angles P-C4'-P energy: -58.655
tors. eta vs tors. theta energy: -116.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 400
Temperature: 1.000000
Total energy: -1267.799171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1267.799171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1267.799171 (E_RNA)
where:
Base-Base interactions energy: -902.649
where: short stacking energy: -350.834
Base-Backbone interact. energy: 1.383
local terms energy: -366.656778
where:
bonds (distance) C4'-P energy: -65.763
bonds (distance) P-C4' energy: -70.095
flat angles C4'-P-C4' energy: -89.871
flat angles P-C4'-P energy: -49.989
tors. eta vs tors. theta energy: -90.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.124 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 400
Temperature: 1.050000
Total energy: -1199.616047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1199.616047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1199.616047 (E_RNA)
where:
Base-Base interactions energy: -832.756
where: short stacking energy: -349.279
Base-Backbone interact. energy: -1.643
local terms energy: -365.216421
where:
bonds (distance) C4'-P energy: -71.096
bonds (distance) P-C4' energy: -61.615
flat angles C4'-P-C4' energy: -88.842
flat angles P-C4'-P energy: -56.221
tors. eta vs tors. theta energy: -87.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 400
Temperature: 1.100000
Total energy: -1202.725088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1202.725088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1202.725088 (E_RNA)
where:
Base-Base interactions energy: -824.699
where: short stacking energy: -340.670
Base-Backbone interact. energy: -1.830
local terms energy: -376.195882
where:
bonds (distance) C4'-P energy: -73.758
bonds (distance) P-C4' energy: -66.424
flat angles C4'-P-C4' energy: -84.672
flat angles P-C4'-P energy: -44.442
tors. eta vs tors. theta energy: -106.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 400
Temperature: 1.150000
Total energy: -1012.303992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1012.303992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1012.303992 (E_RNA)
where:
Base-Base interactions energy: -690.001
where: short stacking energy: -284.652
Base-Backbone interact. energy: -1.175
local terms energy: -321.128171
where:
bonds (distance) C4'-P energy: -71.061
bonds (distance) P-C4' energy: -71.667
flat angles C4'-P-C4' energy: -71.519
flat angles P-C4'-P energy: -48.519
tors. eta vs tors. theta energy: -58.362
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: 1
=====================================
Write number: 400
Temperature: 1.200000
Total energy: -1025.663238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1025.663238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1025.663238 (E_RNA)
where:
Base-Base interactions energy: -705.968
where: short stacking energy: -292.331
Base-Backbone interact. energy: 0.524
local terms energy: -320.218386
where:
bonds (distance) C4'-P energy: -63.168
bonds (distance) P-C4' energy: -57.566
flat angles C4'-P-C4' energy: -71.001
flat angles P-C4'-P energy: -52.568
tors. eta vs tors. theta energy: -75.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 400
Temperature: 1.250000
Total energy: -798.988804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -798.988804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -798.988804 (E_RNA)
where:
Base-Base interactions energy: -520.431
where: short stacking energy: -225.361
Base-Backbone interact. energy: -1.211
local terms energy: -277.346635
where:
bonds (distance) C4'-P energy: -67.487
bonds (distance) P-C4' energy: -67.543
flat angles C4'-P-C4' energy: -61.310
flat angles P-C4'-P energy: -38.309
tors. eta vs tors. theta energy: -42.698
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: 9, replica: 2
=====================================
Write number: 400
Temperature: 1.300000
Total energy: -792.371642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -792.371642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -792.371642 (E_RNA)
where:
Base-Base interactions energy: -516.808
where: short stacking energy: -234.563
Base-Backbone interact. energy: 0.651
local terms energy: -276.214864
where:
bonds (distance) C4'-P energy: -59.696
bonds (distance) P-C4' energy: -61.805
flat angles C4'-P-C4' energy: -66.397
flat angles P-C4'-P energy: -40.082
tors. eta vs tors. theta energy: -48.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 400
Temperature: 1.350000
Total energy: -575.891105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -575.891105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -575.891105 (E_RNA)
where:
Base-Base interactions energy: -340.368
where: short stacking energy: -171.972
Base-Backbone interact. energy: -0.310
local terms energy: -235.212921
where:
bonds (distance) C4'-P energy: -50.707
bonds (distance) P-C4' energy: -76.077
flat angles C4'-P-C4' energy: -46.291
flat angles P-C4'-P energy: -40.626
tors. eta vs tors. theta energy: -21.512
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: 401
Temperature: 0.900000
Total energy: -1405.596830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1405.596830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1405.596830 (E_RNA)
where:
Base-Base interactions energy: -986.720
where: short stacking energy: -418.265
Base-Backbone interact. energy: -0.359
local terms energy: -418.517662
where:
bonds (distance) C4'-P energy: -75.832
bonds (distance) P-C4' energy: -82.601
flat angles C4'-P-C4' energy: -92.350
flat angles P-C4'-P energy: -57.666
tors. eta vs tors. theta energy: -110.069
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: 5
=====================================
Write number: 401
Temperature: 0.950000
Total energy: -1345.610452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1345.610452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1345.610452 (E_RNA)
where:
Base-Base interactions energy: -945.172
where: short stacking energy: -385.553
Base-Backbone interact. energy: -0.928
local terms energy: -399.510572
where:
bonds (distance) C4'-P energy: -62.834
bonds (distance) P-C4' energy: -83.446
flat angles C4'-P-C4' energy: -91.121
flat angles P-C4'-P energy: -52.636
tors. eta vs tors. theta energy: -109.473
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: 3, replica: 9
=====================================
Write number: 401
Temperature: 1.000000
Total energy: -1274.766760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1274.766760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1274.766760 (E_RNA)
where:
Base-Base interactions energy: -896.953
where: short stacking energy: -375.785
Base-Backbone interact. energy: -1.498
local terms energy: -376.315848
where:
bonds (distance) C4'-P energy: -68.887
bonds (distance) P-C4' energy: -81.883
flat angles C4'-P-C4' energy: -82.588
flat angles P-C4'-P energy: -49.129
tors. eta vs tors. theta energy: -93.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 401
Temperature: 1.050000
Total energy: -1250.126457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1250.126457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1250.126457 (E_RNA)
where:
Base-Base interactions energy: -863.197
where: short stacking energy: -365.441
Base-Backbone interact. energy: -1.620
local terms energy: -385.309353
where:
bonds (distance) C4'-P energy: -68.032
bonds (distance) P-C4' energy: -81.517
flat angles C4'-P-C4' energy: -80.520
flat angles P-C4'-P energy: -49.575
tors. eta vs tors. theta energy: -105.665
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: 3
=====================================
Write number: 401
Temperature: 1.100000
Total energy: -1175.865582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1175.865582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1175.865582 (E_RNA)
where:
Base-Base interactions energy: -798.423
where: short stacking energy: -338.978
Base-Backbone interact. energy: -2.665
local terms energy: -374.777762
where:
bonds (distance) C4'-P energy: -75.131
bonds (distance) P-C4' energy: -79.257
flat angles C4'-P-C4' energy: -77.622
flat angles P-C4'-P energy: -42.264
tors. eta vs tors. theta energy: -100.503
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: 6, replica: 1
=====================================
Write number: 401
Temperature: 1.150000
Total energy: -1058.775317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1058.775317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1058.775317 (E_RNA)
where:
Base-Base interactions energy: -722.330
where: short stacking energy: -305.028
Base-Backbone interact. energy: -1.242
local terms energy: -335.203754
where:
bonds (distance) C4'-P energy: -68.974
bonds (distance) P-C4' energy: -62.214
flat angles C4'-P-C4' energy: -87.323
flat angles P-C4'-P energy: -42.251
tors. eta vs tors. theta energy: -74.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 401
Temperature: 1.200000
Total energy: -965.842994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -965.842994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -965.842994 (E_RNA)
where:
Base-Base interactions energy: -661.165
where: short stacking energy: -272.581
Base-Backbone interact. energy: -2.335
local terms energy: -302.342277
where:
bonds (distance) C4'-P energy: -60.906
bonds (distance) P-C4' energy: -72.002
flat angles C4'-P-C4' energy: -63.203
flat angles P-C4'-P energy: -42.929
tors. eta vs tors. theta energy: -63.302
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: 2
=====================================
Write number: 401
Temperature: 1.250000
Total energy: -850.902632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -850.902632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -850.902632 (E_RNA)
where:
Base-Base interactions energy: -544.562
where: short stacking energy: -251.503
Base-Backbone interact. energy: -0.877
local terms energy: -305.463775
where:
bonds (distance) C4'-P energy: -59.320
bonds (distance) P-C4' energy: -65.834
flat angles C4'-P-C4' energy: -73.678
flat angles P-C4'-P energy: -43.933
tors. eta vs tors. theta energy: -62.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 401
Temperature: 1.300000
Total energy: -787.859878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -787.859878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -787.859878 (E_RNA)
where:
Base-Base interactions energy: -525.515
where: short stacking energy: -219.912
Base-Backbone interact. energy: -1.650
local terms energy: -260.694771
where:
bonds (distance) C4'-P energy: -61.176
bonds (distance) P-C4' energy: -73.683
flat angles C4'-P-C4' energy: -63.125
flat angles P-C4'-P energy: -35.013
tors. eta vs tors. theta energy: -27.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 401
Temperature: 1.350000
Total energy: -548.736713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.736713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.736713 (E_RNA)
where:
Base-Base interactions energy: -300.184
where: short stacking energy: -147.818
Base-Backbone interact. energy: -0.648
local terms energy: -247.904308
where:
bonds (distance) C4'-P energy: -56.493
bonds (distance) P-C4' energy: -62.325
flat angles C4'-P-C4' energy: -70.438
flat angles P-C4'-P energy: -40.239
tors. eta vs tors. theta energy: -18.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 402
Temperature: 0.900000
Total energy: -1395.801015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1395.801015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1395.801015 (E_RNA)
where:
Base-Base interactions energy: -976.861
where: short stacking energy: -410.134
Base-Backbone interact. energy: -5.265
local terms energy: -413.674475
where:
bonds (distance) C4'-P energy: -76.929
bonds (distance) P-C4' energy: -77.884
flat angles C4'-P-C4' energy: -85.666
flat angles P-C4'-P energy: -47.905
tors. eta vs tors. theta energy: -125.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 402
Temperature: 0.950000
Total energy: -1352.637737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1352.637737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1352.637737 (E_RNA)
where:
Base-Base interactions energy: -935.612
where: short stacking energy: -384.540
Base-Backbone interact. energy: -3.862
local terms energy: -413.163041
where:
bonds (distance) C4'-P energy: -79.448
bonds (distance) P-C4' energy: -77.116
flat angles C4'-P-C4' energy: -86.901
flat angles P-C4'-P energy: -57.770
tors. eta vs tors. theta energy: -111.928
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: 9
=====================================
Write number: 402
Temperature: 1.000000
Total energy: -1276.228046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1276.228046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1276.228046 (E_RNA)
where:
Base-Base interactions energy: -886.628
where: short stacking energy: -373.586
Base-Backbone interact. energy: -1.278
local terms energy: -388.322079
where:
bonds (distance) C4'-P energy: -80.773
bonds (distance) P-C4' energy: -67.854
flat angles C4'-P-C4' energy: -80.689
flat angles P-C4'-P energy: -53.152
tors. eta vs tors. theta energy: -105.854
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: 4, replica: 4
=====================================
Write number: 402
Temperature: 1.050000
Total energy: -1177.111387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1177.111387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1177.111387 (E_RNA)
where:
Base-Base interactions energy: -820.924
where: short stacking energy: -334.522
Base-Backbone interact. energy: 4.567
local terms energy: -360.754462
where:
bonds (distance) C4'-P energy: -63.875
bonds (distance) P-C4' energy: -72.320
flat angles C4'-P-C4' energy: -83.678
flat angles P-C4'-P energy: -45.938
tors. eta vs tors. theta energy: -94.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 402
Temperature: 1.100000
Total energy: -1167.705773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1167.705773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1167.705773 (E_RNA)
where:
Base-Base interactions energy: -797.414
where: short stacking energy: -354.053
Base-Backbone interact. energy: -0.708
local terms energy: -369.583699
where:
bonds (distance) C4'-P energy: -67.454
bonds (distance) P-C4' energy: -75.199
flat angles C4'-P-C4' energy: -78.743
flat angles P-C4'-P energy: -44.122
tors. eta vs tors. theta energy: -104.065
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: 1
=====================================
Write number: 402
Temperature: 1.150000
Total energy: -1059.688321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1059.688321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1059.688321 (E_RNA)
where:
Base-Base interactions energy: -735.889
where: short stacking energy: -332.879
Base-Backbone interact. energy: -3.526
local terms energy: -320.273594
where:
bonds (distance) C4'-P energy: -55.037
bonds (distance) P-C4' energy: -70.591
flat angles C4'-P-C4' energy: -75.341
flat angles P-C4'-P energy: -38.041
tors. eta vs tors. theta energy: -81.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 402
Temperature: 1.200000
Total energy: -926.838002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -926.838002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -926.838002 (E_RNA)
where:
Base-Base interactions energy: -597.021
where: short stacking energy: -237.884
Base-Backbone interact. energy: -0.750
local terms energy: -329.066341
where:
bonds (distance) C4'-P energy: -65.210
bonds (distance) P-C4' energy: -71.984
flat angles C4'-P-C4' energy: -74.691
flat angles P-C4'-P energy: -60.210
tors. eta vs tors. theta energy: -56.972
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: 402
Temperature: 1.250000
Total energy: -843.967433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -843.967433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -843.967433 (E_RNA)
where:
Base-Base interactions energy: -558.479
where: short stacking energy: -258.032
Base-Backbone interact. energy: -0.977
local terms energy: -284.511177
where:
bonds (distance) C4'-P energy: -60.793
bonds (distance) P-C4' energy: -64.119
flat angles C4'-P-C4' energy: -65.697
flat angles P-C4'-P energy: -45.981
tors. eta vs tors. theta energy: -47.920
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: 8
=====================================
Write number: 402
Temperature: 1.300000
Total energy: -807.731180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -807.731180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -807.731180 (E_RNA)
where:
Base-Base interactions energy: -529.341
where: short stacking energy: -248.345
Base-Backbone interact. energy: -2.527
local terms energy: -275.863418
where:
bonds (distance) C4'-P energy: -51.010
bonds (distance) P-C4' energy: -52.083
flat angles C4'-P-C4' energy: -59.011
flat angles P-C4'-P energy: -51.847
tors. eta vs tors. theta energy: -61.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 402
Temperature: 1.350000
Total energy: -599.625558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -599.625558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -599.625558 (E_RNA)
where:
Base-Base interactions energy: -378.196
where: short stacking energy: -170.836
Base-Backbone interact. energy: -2.031
local terms energy: -219.398514
where:
bonds (distance) C4'-P energy: -62.480
bonds (distance) P-C4' energy: -44.116
flat angles C4'-P-C4' energy: -65.837
flat angles P-C4'-P energy: -34.746
tors. eta vs tors. theta energy: -12.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 403
Temperature: 0.900000
Total energy: -1399.057310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1399.057310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1399.057310 (E_RNA)
where:
Base-Base interactions energy: -990.850
where: short stacking energy: -413.078
Base-Backbone interact. energy: -2.750
local terms energy: -405.456696
where:
bonds (distance) C4'-P energy: -73.306
bonds (distance) P-C4' energy: -81.346
flat angles C4'-P-C4' energy: -74.412
flat angles P-C4'-P energy: -56.426
tors. eta vs tors. theta energy: -119.966
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: 7
=====================================
Write number: 403
Temperature: 0.950000
Total energy: -1375.555574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1375.555574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1375.555574 (E_RNA)
where:
Base-Base interactions energy: -963.064
where: short stacking energy: -416.292
Base-Backbone interact. energy: -2.566
local terms energy: -409.924782
where:
bonds (distance) C4'-P energy: -72.569
bonds (distance) P-C4' energy: -76.866
flat angles C4'-P-C4' energy: -82.456
flat angles P-C4'-P energy: -59.778
tors. eta vs tors. theta energy: -118.255
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: 9
=====================================
Write number: 403
Temperature: 1.000000
Total energy: -1294.641375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1294.641375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1294.641375 (E_RNA)
where:
Base-Base interactions energy: -897.704
where: short stacking energy: -386.338
Base-Backbone interact. energy: -0.333
local terms energy: -396.605027
where:
bonds (distance) C4'-P energy: -70.968
bonds (distance) P-C4' energy: -78.237
flat angles C4'-P-C4' energy: -84.698
flat angles P-C4'-P energy: -58.228
tors. eta vs tors. theta energy: -104.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 403
Temperature: 1.050000
Total energy: -1212.935403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1212.935403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1212.935403 (E_RNA)
where:
Base-Base interactions energy: -836.274
where: short stacking energy: -345.446
Base-Backbone interact. energy: 0.446
local terms energy: -377.107750
where:
bonds (distance) C4'-P energy: -75.145
bonds (distance) P-C4' energy: -76.819
flat angles C4'-P-C4' energy: -90.012
flat angles P-C4'-P energy: -48.881
tors. eta vs tors. theta energy: -86.250
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: 3
=====================================
Write number: 403
Temperature: 1.100000
Total energy: -1103.157620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1103.157620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1103.157620 (E_RNA)
where:
Base-Base interactions energy: -749.426
where: short stacking energy: -328.857
Base-Backbone interact. energy: -0.114
local terms energy: -353.617888
where:
bonds (distance) C4'-P energy: -70.962
bonds (distance) P-C4' energy: -66.769
flat angles C4'-P-C4' energy: -81.378
flat angles P-C4'-P energy: -46.836
tors. eta vs tors. theta energy: -87.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 403
Temperature: 1.150000
Total energy: -1068.824454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1068.824454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1068.824454 (E_RNA)
where:
Base-Base interactions energy: -739.178
where: short stacking energy: -326.883
Base-Backbone interact. energy: -2.348
local terms energy: -327.298491
where:
bonds (distance) C4'-P energy: -56.589
bonds (distance) P-C4' energy: -73.987
flat angles C4'-P-C4' energy: -77.622
flat angles P-C4'-P energy: -42.598
tors. eta vs tors. theta energy: -76.503
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: 10
=====================================
Write number: 403
Temperature: 1.200000
Total energy: -968.984965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -968.984965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -968.984965 (E_RNA)
where:
Base-Base interactions energy: -652.399
where: short stacking energy: -272.966
Base-Backbone interact. energy: -6.513
local terms energy: -310.073057
where:
bonds (distance) C4'-P energy: -61.073
bonds (distance) P-C4' energy: -77.027
flat angles C4'-P-C4' energy: -75.915
flat angles P-C4'-P energy: -29.214
tors. eta vs tors. theta energy: -66.845
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: 8, replica: 8
=====================================
Write number: 403
Temperature: 1.250000
Total energy: -842.589089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -842.589089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -842.589089 (E_RNA)
where:
Base-Base interactions energy: -533.107
where: short stacking energy: -242.267
Base-Backbone interact. energy: -1.093
local terms energy: -308.389570
where:
bonds (distance) C4'-P energy: -62.901
bonds (distance) P-C4' energy: -66.637
flat angles C4'-P-C4' energy: -72.925
flat angles P-C4'-P energy: -48.983
tors. eta vs tors. theta energy: -56.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 403
Temperature: 1.300000
Total energy: -795.612398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -795.612398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -795.612398 (E_RNA)
where:
Base-Base interactions energy: -502.352
where: short stacking energy: -237.119
Base-Backbone interact. energy: -0.537
local terms energy: -292.723084
where:
bonds (distance) C4'-P energy: -52.597
bonds (distance) P-C4' energy: -73.001
flat angles C4'-P-C4' energy: -74.608
flat angles P-C4'-P energy: -48.271
tors. eta vs tors. theta energy: -44.247
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: 10, replica: 6
=====================================
Write number: 403
Temperature: 1.350000
Total energy: -575.320014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -575.320014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -575.320014 (E_RNA)
where:
Base-Base interactions energy: -321.210
where: short stacking energy: -176.917
Base-Backbone interact. energy: -1.835
local terms energy: -252.274548
where:
bonds (distance) C4'-P energy: -68.489
bonds (distance) P-C4' energy: -72.219
flat angles C4'-P-C4' energy: -57.883
flat angles P-C4'-P energy: -27.635
tors. eta vs tors. theta energy: -26.048
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: 7
=====================================
Write number: 404
Temperature: 0.900000
Total energy: -1399.530296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1399.530296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1399.530296 (E_RNA)
where:
Base-Base interactions energy: -973.610
where: short stacking energy: -388.182
Base-Backbone interact. energy: 1.628
local terms energy: -427.548531
where:
bonds (distance) C4'-P energy: -79.678
bonds (distance) P-C4' energy: -82.399
flat angles C4'-P-C4' energy: -88.522
flat angles P-C4'-P energy: -65.474
tors. eta vs tors. theta energy: -111.476
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: 2, replica: 5
=====================================
Write number: 404
Temperature: 0.950000
Total energy: -1357.862027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1357.862027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1357.862027 (E_RNA)
where:
Base-Base interactions energy: -919.867
where: short stacking energy: -377.091
Base-Backbone interact. energy: -2.067
local terms energy: -435.928119
where:
bonds (distance) C4'-P energy: -83.877
bonds (distance) P-C4' energy: -84.344
flat angles C4'-P-C4' energy: -81.123
flat angles P-C4'-P energy: -66.341
tors. eta vs tors. theta energy: -120.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 404
Temperature: 1.000000
Total energy: -1283.623524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1283.623524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1283.623524 (E_RNA)
where:
Base-Base interactions energy: -881.916
where: short stacking energy: -370.235
Base-Backbone interact. energy: -1.675
local terms energy: -400.094290
where:
bonds (distance) C4'-P energy: -73.132
bonds (distance) P-C4' energy: -80.728
flat angles C4'-P-C4' energy: -82.138
flat angles P-C4'-P energy: -63.160
tors. eta vs tors. theta energy: -100.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.062 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 404
Temperature: 1.050000
Total energy: -1233.101610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1233.101610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1233.101610 (E_RNA)
where:
Base-Base interactions energy: -882.431
where: short stacking energy: -343.887
Base-Backbone interact. energy: -2.406
local terms energy: -348.264922
where:
bonds (distance) C4'-P energy: -73.850
bonds (distance) P-C4' energy: -67.789
flat angles C4'-P-C4' energy: -76.595
flat angles P-C4'-P energy: -36.803
tors. eta vs tors. theta energy: -93.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 404
Temperature: 1.100000
Total energy: -1192.818753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1192.818753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1192.818753 (E_RNA)
where:
Base-Base interactions energy: -797.597
where: short stacking energy: -348.448
Base-Backbone interact. energy: 3.742
local terms energy: -398.963063
where:
bonds (distance) C4'-P energy: -80.244
bonds (distance) P-C4' energy: -73.157
flat angles C4'-P-C4' energy: -88.120
flat angles P-C4'-P energy: -54.542
tors. eta vs tors. theta energy: -102.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 404
Temperature: 1.150000
Total energy: -1054.337908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1054.337908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1054.337908 (E_RNA)
where:
Base-Base interactions energy: -700.359
where: short stacking energy: -324.393
Base-Backbone interact. energy: -1.042
local terms energy: -353.214343
where:
bonds (distance) C4'-P energy: -77.818
bonds (distance) P-C4' energy: -64.870
flat angles C4'-P-C4' energy: -80.296
flat angles P-C4'-P energy: -46.395
tors. eta vs tors. theta energy: -83.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.277 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 404
Temperature: 1.200000
Total energy: -980.289642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -980.289642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -980.289642 (E_RNA)
where:
Base-Base interactions energy: -661.672
where: short stacking energy: -291.597
Base-Backbone interact. energy: -0.385
local terms energy: -318.231954
where:
bonds (distance) C4'-P energy: -70.001
bonds (distance) P-C4' energy: -54.940
flat angles C4'-P-C4' energy: -82.761
flat angles P-C4'-P energy: -39.828
tors. eta vs tors. theta energy: -70.701
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: 8
=====================================
Write number: 404
Temperature: 1.250000
Total energy: -850.687919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -850.687919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -850.687919 (E_RNA)
where:
Base-Base interactions energy: -559.532
where: short stacking energy: -258.314
Base-Backbone interact. energy: -1.191
local terms energy: -289.965226
where:
bonds (distance) C4'-P energy: -53.587
bonds (distance) P-C4' energy: -64.795
flat angles C4'-P-C4' energy: -61.639
flat angles P-C4'-P energy: -53.454
tors. eta vs tors. theta energy: -56.491
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: 404
Temperature: 1.300000
Total energy: -786.818983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -786.818983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -786.818983 (E_RNA)
where:
Base-Base interactions energy: -499.935
where: short stacking energy: -221.942
Base-Backbone interact. energy: -2.709
local terms energy: -284.517536
where:
bonds (distance) C4'-P energy: -72.071
bonds (distance) P-C4' energy: -65.540
flat angles C4'-P-C4' energy: -61.857
flat angles P-C4'-P energy: -34.473
tors. eta vs tors. theta energy: -50.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.343 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 404
Temperature: 1.350000
Total energy: -545.557247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.557247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.557247 (E_RNA)
where:
Base-Base interactions energy: -338.438
where: short stacking energy: -170.341
Base-Backbone interact. energy: -1.636
local terms energy: -205.483340
where:
bonds (distance) C4'-P energy: -54.654
bonds (distance) P-C4' energy: -60.161
flat angles C4'-P-C4' energy: -39.539
flat angles P-C4'-P energy: -36.231
tors. eta vs tors. theta energy: -14.899
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 405
Temperature: 0.900000
Total energy: -1406.567870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1406.567870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1406.567870 (E_RNA)
where:
Base-Base interactions energy: -985.793
where: short stacking energy: -404.750
Base-Backbone interact. energy: -0.696
local terms energy: -420.078861
where:
bonds (distance) C4'-P energy: -81.378
bonds (distance) P-C4' energy: -70.941
flat angles C4'-P-C4' energy: -83.570
flat angles P-C4'-P energy: -66.354
tors. eta vs tors. theta energy: -117.837
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: 2, replica: 5
=====================================
Write number: 405
Temperature: 0.950000
Total energy: -1339.957192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1339.957192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1339.957192 (E_RNA)
where:
Base-Base interactions energy: -938.697
where: short stacking energy: -397.289
Base-Backbone interact. energy: 0.273
local terms energy: -401.533511
where:
bonds (distance) C4'-P energy: -76.655
bonds (distance) P-C4' energy: -65.298
flat angles C4'-P-C4' energy: -85.928
flat angles P-C4'-P energy: -56.217
tors. eta vs tors. theta energy: -117.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 405
Temperature: 1.000000
Total energy: -1279.026105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1279.026105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1279.026105 (E_RNA)
where:
Base-Base interactions energy: -897.658
where: short stacking energy: -385.800
Base-Backbone interact. energy: 1.126
local terms energy: -382.494319
where:
bonds (distance) C4'-P energy: -63.255
bonds (distance) P-C4' energy: -65.063
flat angles C4'-P-C4' energy: -94.022
flat angles P-C4'-P energy: -54.765
tors. eta vs tors. theta energy: -105.389
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: 4, replica: 3
=====================================
Write number: 405
Temperature: 1.050000
Total energy: -1239.644287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1239.644287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1239.644287 (E_RNA)
where:
Base-Base interactions energy: -852.075
where: short stacking energy: -373.607
Base-Backbone interact. energy: -2.214
local terms energy: -385.356138
where:
bonds (distance) C4'-P energy: -67.337
bonds (distance) P-C4' energy: -81.862
flat angles C4'-P-C4' energy: -86.397
flat angles P-C4'-P energy: -45.126
tors. eta vs tors. theta energy: -104.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 405
Temperature: 1.100000
Total energy: -1219.181781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1219.181781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1219.181781 (E_RNA)
where:
Base-Base interactions energy: -839.586
where: short stacking energy: -348.215
Base-Backbone interact. energy: -0.553
local terms energy: -379.042162
where:
bonds (distance) C4'-P energy: -60.352
bonds (distance) P-C4' energy: -81.674
flat angles C4'-P-C4' energy: -77.554
flat angles P-C4'-P energy: -54.775
tors. eta vs tors. theta energy: -104.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 405
Temperature: 1.150000
Total energy: -1048.758907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1048.758907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1048.758907 (E_RNA)
where:
Base-Base interactions energy: -687.070
where: short stacking energy: -316.953
Base-Backbone interact. energy: -0.839
local terms energy: -360.849695
where:
bonds (distance) C4'-P energy: -76.743
bonds (distance) P-C4' energy: -75.727
flat angles C4'-P-C4' energy: -70.569
flat angles P-C4'-P energy: -52.544
tors. eta vs tors. theta energy: -85.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 405
Temperature: 1.200000
Total energy: -947.616580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -947.616580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -947.616580 (E_RNA)
where:
Base-Base interactions energy: -633.381
where: short stacking energy: -255.066
Base-Backbone interact. energy: -2.129
local terms energy: -312.106579
where:
bonds (distance) C4'-P energy: -71.369
bonds (distance) P-C4' energy: -67.347
flat angles C4'-P-C4' energy: -70.517
flat angles P-C4'-P energy: -46.084
tors. eta vs tors. theta energy: -56.789
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: 2
=====================================
Write number: 405
Temperature: 1.250000
Total energy: -846.071624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -846.071624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -846.071624 (E_RNA)
where:
Base-Base interactions energy: -541.803
where: short stacking energy: -250.142
Base-Backbone interact. energy: -0.151
local terms energy: -304.118430
where:
bonds (distance) C4'-P energy: -63.077
bonds (distance) P-C4' energy: -76.862
flat angles C4'-P-C4' energy: -74.029
flat angles P-C4'-P energy: -38.552
tors. eta vs tors. theta energy: -51.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 405
Temperature: 1.300000
Total energy: -808.521528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -808.521528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -808.521528 (E_RNA)
where:
Base-Base interactions energy: -540.109
where: short stacking energy: -231.461
Base-Backbone interact. energy: 0.485
local terms energy: -268.897777
where:
bonds (distance) C4'-P energy: -54.449
bonds (distance) P-C4' energy: -63.781
flat angles C4'-P-C4' energy: -67.657
flat angles P-C4'-P energy: -52.096
tors. eta vs tors. theta energy: -30.915
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: 6
=====================================
Write number: 405
Temperature: 1.350000
Total energy: -578.274976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -578.274976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -578.274976 (E_RNA)
where:
Base-Base interactions energy: -327.408
where: short stacking energy: -151.554
Base-Backbone interact. energy: -0.190
local terms energy: -250.676858
where:
bonds (distance) C4'-P energy: -68.951
bonds (distance) P-C4' energy: -51.912
flat angles C4'-P-C4' energy: -74.818
flat angles P-C4'-P energy: -37.793
tors. eta vs tors. theta energy: -17.203
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: 7
=====================================
Write number: 406
Temperature: 0.900000
Total energy: -1392.058584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1392.058584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1392.058584 (E_RNA)
where:
Base-Base interactions energy: -969.415
where: short stacking energy: -396.785
Base-Backbone interact. energy: -1.795
local terms energy: -420.848339
where:
bonds (distance) C4'-P energy: -81.550
bonds (distance) P-C4' energy: -71.471
flat angles C4'-P-C4' energy: -78.941
flat angles P-C4'-P energy: -73.447
tors. eta vs tors. theta energy: -115.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 406
Temperature: 0.950000
Total energy: -1374.532288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1374.532288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1374.532288 (E_RNA)
where:
Base-Base interactions energy: -962.044
where: short stacking energy: -397.607
Base-Backbone interact. energy: -1.663
local terms energy: -410.825008
where:
bonds (distance) C4'-P energy: -72.078
bonds (distance) P-C4' energy: -75.705
flat angles C4'-P-C4' energy: -87.284
flat angles P-C4'-P energy: -56.119
tors. eta vs tors. theta energy: -119.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 406
Temperature: 1.000000
Total energy: -1267.786749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1267.786749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1267.786749 (E_RNA)
where:
Base-Base interactions energy: -861.979
where: short stacking energy: -376.460
Base-Backbone interact. energy: -1.802
local terms energy: -404.005718
where:
bonds (distance) C4'-P energy: -79.297
bonds (distance) P-C4' energy: -68.222
flat angles C4'-P-C4' energy: -80.762
flat angles P-C4'-P energy: -56.489
tors. eta vs tors. theta energy: -119.235
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: 4, replica: 9
=====================================
Write number: 406
Temperature: 1.050000
Total energy: -1208.229634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1208.229634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1208.229634 (E_RNA)
where:
Base-Base interactions energy: -844.738
where: short stacking energy: -347.979
Base-Backbone interact. energy: -1.059
local terms energy: -362.432313
where:
bonds (distance) C4'-P energy: -67.461
bonds (distance) P-C4' energy: -76.930
flat angles C4'-P-C4' energy: -73.796
flat angles P-C4'-P energy: -47.485
tors. eta vs tors. theta energy: -96.760
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: 4
=====================================
Write number: 406
Temperature: 1.100000
Total energy: -1203.743717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1203.743717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1203.743717 (E_RNA)
where:
Base-Base interactions energy: -835.523
where: short stacking energy: -338.139
Base-Backbone interact. energy: -4.704
local terms energy: -363.516991
where:
bonds (distance) C4'-P energy: -65.294
bonds (distance) P-C4' energy: -70.066
flat angles C4'-P-C4' energy: -71.882
flat angles P-C4'-P energy: -51.389
tors. eta vs tors. theta energy: -104.886
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: 1
=====================================
Write number: 406
Temperature: 1.150000
Total energy: -1033.024756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1033.024756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1033.024756 (E_RNA)
where:
Base-Base interactions energy: -693.247
where: short stacking energy: -313.571
Base-Backbone interact. energy: 1.330
local terms energy: -341.108021
where:
bonds (distance) C4'-P energy: -61.362
bonds (distance) P-C4' energy: -64.347
flat angles C4'-P-C4' energy: -78.224
flat angles P-C4'-P energy: -47.325
tors. eta vs tors. theta energy: -89.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 406
Temperature: 1.200000
Total energy: -871.907556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -871.907556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -871.907556 (E_RNA)
where:
Base-Base interactions energy: -575.995
where: short stacking energy: -264.377
Base-Backbone interact. energy: 0.038
local terms energy: -295.951086
where:
bonds (distance) C4'-P energy: -61.448
bonds (distance) P-C4' energy: -66.698
flat angles C4'-P-C4' energy: -70.775
flat angles P-C4'-P energy: -42.141
tors. eta vs tors. theta energy: -54.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 406
Temperature: 1.250000
Total energy: -903.525455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -903.525455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -903.525455 (E_RNA)
where:
Base-Base interactions energy: -600.178
where: short stacking energy: -248.210
Base-Backbone interact. energy: -0.608
local terms energy: -302.739245
where:
bonds (distance) C4'-P energy: -59.417
bonds (distance) P-C4' energy: -70.868
flat angles C4'-P-C4' energy: -73.662
flat angles P-C4'-P energy: -44.311
tors. eta vs tors. theta energy: -54.481
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: 8
=====================================
Write number: 406
Temperature: 1.300000
Total energy: -793.903338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -793.903338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -793.903338 (E_RNA)
where:
Base-Base interactions energy: -519.319
where: short stacking energy: -230.218
Base-Backbone interact. energy: 2.474
local terms energy: -277.058379
where:
bonds (distance) C4'-P energy: -72.212
bonds (distance) P-C4' energy: -57.527
flat angles C4'-P-C4' energy: -68.546
flat angles P-C4'-P energy: -39.615
tors. eta vs tors. theta energy: -39.159
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: 10, replica: 6
=====================================
Write number: 406
Temperature: 1.350000
Total energy: -581.339645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -581.339645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -581.339645 (E_RNA)
where:
Base-Base interactions energy: -322.995
where: short stacking energy: -152.033
Base-Backbone interact. energy: -0.381
local terms energy: -257.962963
where:
bonds (distance) C4'-P energy: -65.118
bonds (distance) P-C4' energy: -70.108
flat angles C4'-P-C4' energy: -65.521
flat angles P-C4'-P energy: -41.220
tors. eta vs tors. theta energy: -15.996
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: 1, replica: 7
=====================================
Write number: 407
Temperature: 0.900000
Total energy: -1386.975773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1386.975773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1386.975773 (E_RNA)
where:
Base-Base interactions energy: -977.441
where: short stacking energy: -391.186
Base-Backbone interact. energy: -1.816
local terms energy: -407.718405
where:
bonds (distance) C4'-P energy: -75.510
bonds (distance) P-C4' energy: -75.402
flat angles C4'-P-C4' energy: -95.039
flat angles P-C4'-P energy: -54.848
tors. eta vs tors. theta energy: -106.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 407
Temperature: 0.950000
Total energy: -1352.105608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1352.105608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1352.105608 (E_RNA)
where:
Base-Base interactions energy: -952.758
where: short stacking energy: -394.410
Base-Backbone interact. energy: -4.282
local terms energy: -395.065595
where:
bonds (distance) C4'-P energy: -68.612
bonds (distance) P-C4' energy: -78.418
flat angles C4'-P-C4' energy: -85.324
flat angles P-C4'-P energy: -55.103
tors. eta vs tors. theta energy: -107.608
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: 3
=====================================
Write number: 407
Temperature: 1.000000
Total energy: -1244.260708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1244.260708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1244.260708 (E_RNA)
where:
Base-Base interactions energy: -857.910
where: short stacking energy: -351.627
Base-Backbone interact. energy: -1.343
local terms energy: -385.007569
where:
bonds (distance) C4'-P energy: -71.841
bonds (distance) P-C4' energy: -71.300
flat angles C4'-P-C4' energy: -82.788
flat angles P-C4'-P energy: -55.425
tors. eta vs tors. theta energy: -103.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 407
Temperature: 1.050000
Total energy: -1259.413220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1259.413220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1259.413220 (E_RNA)
where:
Base-Base interactions energy: -876.196
where: short stacking energy: -368.170
Base-Backbone interact. energy: -0.206
local terms energy: -383.011022
where:
bonds (distance) C4'-P energy: -69.976
bonds (distance) P-C4' energy: -72.430
flat angles C4'-P-C4' energy: -86.352
flat angles P-C4'-P energy: -47.059
tors. eta vs tors. theta energy: -107.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 407
Temperature: 1.100000
Total energy: -1218.073487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1218.073487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1218.073487 (E_RNA)
where:
Base-Base interactions energy: -859.724
where: short stacking energy: -351.150
Base-Backbone interact. energy: -0.907
local terms energy: -357.443021
where:
bonds (distance) C4'-P energy: -66.808
bonds (distance) P-C4' energy: -67.454
flat angles C4'-P-C4' energy: -80.683
flat angles P-C4'-P energy: -44.464
tors. eta vs tors. theta energy: -98.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 407
Temperature: 1.150000
Total energy: -1009.668489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1009.668489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1009.668489 (E_RNA)
where:
Base-Base interactions energy: -670.676
where: short stacking energy: -300.076
Base-Backbone interact. energy: -1.657
local terms energy: -338.023914
where:
bonds (distance) C4'-P energy: -71.104
bonds (distance) P-C4' energy: -71.455
flat angles C4'-P-C4' energy: -73.695
flat angles P-C4'-P energy: -48.441
tors. eta vs tors. theta energy: -73.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.688 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 407
Temperature: 1.200000
Total energy: -898.254260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -898.254260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -898.254260 (E_RNA)
where:
Base-Base interactions energy: -580.739
where: short stacking energy: -268.802
Base-Backbone interact. energy: 0.394
local terms energy: -317.909218
where:
bonds (distance) C4'-P energy: -67.490
bonds (distance) P-C4' energy: -63.791
flat angles C4'-P-C4' energy: -64.595
flat angles P-C4'-P energy: -44.842
tors. eta vs tors. theta energy: -77.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 407
Temperature: 1.250000
Total energy: -918.570373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -918.570373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -918.570373 (E_RNA)
where:
Base-Base interactions energy: -616.254
where: short stacking energy: -250.790
Base-Backbone interact. energy: 4.410
local terms energy: -306.726392
where:
bonds (distance) C4'-P energy: -78.540
bonds (distance) P-C4' energy: -62.142
flat angles C4'-P-C4' energy: -75.228
flat angles P-C4'-P energy: -45.650
tors. eta vs tors. theta energy: -45.167
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: 8
=====================================
Write number: 407
Temperature: 1.300000
Total energy: -785.546412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -785.546412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -785.546412 (E_RNA)
where:
Base-Base interactions energy: -502.975
where: short stacking energy: -225.593
Base-Backbone interact. energy: -2.025
local terms energy: -280.546160
where:
bonds (distance) C4'-P energy: -63.856
bonds (distance) P-C4' energy: -62.539
flat angles C4'-P-C4' energy: -78.344
flat angles P-C4'-P energy: -27.292
tors. eta vs tors. theta energy: -48.514
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: 6
=====================================
Write number: 407
Temperature: 1.350000
Total energy: -556.351221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.351221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.351221 (E_RNA)
where:
Base-Base interactions energy: -333.518
where: short stacking energy: -163.747
Base-Backbone interact. energy: 2.883
local terms energy: -227.307350
where:
bonds (distance) C4'-P energy: -55.427
bonds (distance) P-C4' energy: -67.540
flat angles C4'-P-C4' energy: -53.726
flat angles P-C4'-P energy: -32.562
tors. eta vs tors. theta energy: -18.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.591 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 408
Temperature: 0.900000
Total energy: -1388.043894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1388.043894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1388.043894 (E_RNA)
where:
Base-Base interactions energy: -961.928
where: short stacking energy: -394.414
Base-Backbone interact. energy: -3.008
local terms energy: -423.107946
where:
bonds (distance) C4'-P energy: -73.214
bonds (distance) P-C4' energy: -85.006
flat angles C4'-P-C4' energy: -84.103
flat angles P-C4'-P energy: -63.445
tors. eta vs tors. theta energy: -117.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 408
Temperature: 0.950000
Total energy: -1351.620967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1351.620967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1351.620967 (E_RNA)
where:
Base-Base interactions energy: -954.857
where: short stacking energy: -377.578
Base-Backbone interact. energy: 2.107
local terms energy: -398.870107
where:
bonds (distance) C4'-P energy: -70.100
bonds (distance) P-C4' energy: -81.255
flat angles C4'-P-C4' energy: -84.708
flat angles P-C4'-P energy: -53.222
tors. eta vs tors. theta energy: -109.585
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: 9
=====================================
Write number: 408
Temperature: 1.000000
Total energy: -1262.565748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1262.565748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1262.565748 (E_RNA)
where:
Base-Base interactions energy: -884.025
where: short stacking energy: -355.451
Base-Backbone interact. energy: -0.288
local terms energy: -378.252715
where:
bonds (distance) C4'-P energy: -76.319
bonds (distance) P-C4' energy: -74.803
flat angles C4'-P-C4' energy: -77.025
flat angles P-C4'-P energy: -53.142
tors. eta vs tors. theta energy: -96.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 408
Temperature: 1.050000
Total energy: -1234.040425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1234.040425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1234.040425 (E_RNA)
where:
Base-Base interactions energy: -858.095
where: short stacking energy: -366.892
Base-Backbone interact. energy: 1.371
local terms energy: -377.315961
where:
bonds (distance) C4'-P energy: -67.955
bonds (distance) P-C4' energy: -63.349
flat angles C4'-P-C4' energy: -83.119
flat angles P-C4'-P energy: -54.371
tors. eta vs tors. theta energy: -108.523
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: 5, replica: 4
=====================================
Write number: 408
Temperature: 1.100000
Total energy: -1166.918850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1166.918850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1166.918850 (E_RNA)
where:
Base-Base interactions energy: -811.053
where: short stacking energy: -319.248
Base-Backbone interact. energy: -3.446
local terms energy: -352.419884
where:
bonds (distance) C4'-P energy: -68.385
bonds (distance) P-C4' energy: -72.456
flat angles C4'-P-C4' energy: -70.761
flat angles P-C4'-P energy: -50.224
tors. eta vs tors. theta energy: -90.593
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: 1
=====================================
Write number: 408
Temperature: 1.150000
Total energy: -999.650234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -999.650234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -999.650234 (E_RNA)
where:
Base-Base interactions energy: -682.113
where: short stacking energy: -308.224
Base-Backbone interact. energy: 0.187
local terms energy: -317.724343
where:
bonds (distance) C4'-P energy: -60.836
bonds (distance) P-C4' energy: -64.528
flat angles C4'-P-C4' energy: -81.777
flat angles P-C4'-P energy: -38.284
tors. eta vs tors. theta energy: -72.301
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: 2
=====================================
Write number: 408
Temperature: 1.200000
Total energy: -829.498540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -829.498540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -829.498540 (E_RNA)
where:
Base-Base interactions energy: -538.882
where: short stacking energy: -253.034
Base-Backbone interact. energy: -1.147
local terms energy: -289.469876
where:
bonds (distance) C4'-P energy: -69.931
bonds (distance) P-C4' energy: -56.374
flat angles C4'-P-C4' energy: -73.525
flat angles P-C4'-P energy: -44.244
tors. eta vs tors. theta energy: -45.397
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: 10
=====================================
Write number: 408
Temperature: 1.250000
Total energy: -888.048961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -888.048961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -888.048961 (E_RNA)
where:
Base-Base interactions energy: -616.435
where: short stacking energy: -253.388
Base-Backbone interact. energy: -0.443
local terms energy: -271.170914
where:
bonds (distance) C4'-P energy: -60.331
bonds (distance) P-C4' energy: -54.820
flat angles C4'-P-C4' energy: -70.001
flat angles P-C4'-P energy: -28.838
tors. eta vs tors. theta energy: -57.181
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: 8
=====================================
Write number: 408
Temperature: 1.300000
Total energy: -828.881735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -828.881735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -828.881735 (E_RNA)
where:
Base-Base interactions energy: -552.282
where: short stacking energy: -228.077
Base-Backbone interact. energy: 0.354
local terms energy: -276.953786
where:
bonds (distance) C4'-P energy: -62.635
bonds (distance) P-C4' energy: -71.681
flat angles C4'-P-C4' energy: -58.063
flat angles P-C4'-P energy: -37.238
tors. eta vs tors. theta energy: -47.336
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: 10, replica: 6
=====================================
Write number: 408
Temperature: 1.350000
Total energy: -581.593377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -581.593377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -581.593377 (E_RNA)
where:
Base-Base interactions energy: -321.067
where: short stacking energy: -170.673
Base-Backbone interact. energy: 1.299
local terms energy: -261.825192
where:
bonds (distance) C4'-P energy: -69.954
bonds (distance) P-C4' energy: -65.195
flat angles C4'-P-C4' energy: -42.511
flat angles P-C4'-P energy: -49.754
tors. eta vs tors. theta energy: -34.410
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: 7
=====================================
Write number: 409
Temperature: 0.900000
Total energy: -1392.260049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1392.260049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1392.260049 (E_RNA)
where:
Base-Base interactions energy: -969.149
where: short stacking energy: -397.080
Base-Backbone interact. energy: -1.730
local terms energy: -421.381153
where:
bonds (distance) C4'-P energy: -83.077
bonds (distance) P-C4' energy: -81.586
flat angles C4'-P-C4' energy: -80.516
flat angles P-C4'-P energy: -57.613
tors. eta vs tors. theta energy: -118.589
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: 409
Temperature: 0.950000
Total energy: -1350.341531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1350.341531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1350.341531 (E_RNA)
where:
Base-Base interactions energy: -954.844
where: short stacking energy: -389.969
Base-Backbone interact. energy: -0.153
local terms energy: -395.343750
where:
bonds (distance) C4'-P energy: -65.199
bonds (distance) P-C4' energy: -75.761
flat angles C4'-P-C4' energy: -89.768
flat angles P-C4'-P energy: -54.006
tors. eta vs tors. theta energy: -110.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 409
Temperature: 1.000000
Total energy: -1244.295355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1244.295355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1244.295355 (E_RNA)
where:
Base-Base interactions energy: -861.139
where: short stacking energy: -365.824
Base-Backbone interact. energy: -1.206
local terms energy: -381.950457
where:
bonds (distance) C4'-P energy: -84.577
bonds (distance) P-C4' energy: -75.106
flat angles C4'-P-C4' energy: -76.973
flat angles P-C4'-P energy: -45.702
tors. eta vs tors. theta energy: -99.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 409
Temperature: 1.050000
Total energy: -1232.041438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1232.041438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1232.041438 (E_RNA)
where:
Base-Base interactions energy: -843.195
where: short stacking energy: -364.813
Base-Backbone interact. energy: 0.387
local terms energy: -389.233161
where:
bonds (distance) C4'-P energy: -73.637
bonds (distance) P-C4' energy: -64.336
flat angles C4'-P-C4' energy: -90.704
flat angles P-C4'-P energy: -57.218
tors. eta vs tors. theta energy: -103.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 409
Temperature: 1.100000
Total energy: -1180.032231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1180.032231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1180.032231 (E_RNA)
where:
Base-Base interactions energy: -816.874
where: short stacking energy: -331.843
Base-Backbone interact. energy: -2.761
local terms energy: -360.397492
where:
bonds (distance) C4'-P energy: -67.252
bonds (distance) P-C4' energy: -74.705
flat angles C4'-P-C4' energy: -79.669
flat angles P-C4'-P energy: -50.720
tors. eta vs tors. theta energy: -88.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 409
Temperature: 1.150000
Total energy: -1069.650555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1069.650555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1069.650555 (E_RNA)
where:
Base-Base interactions energy: -722.743
where: short stacking energy: -312.918
Base-Backbone interact. energy: -0.367
local terms energy: -346.539880
where:
bonds (distance) C4'-P energy: -63.537
bonds (distance) P-C4' energy: -67.583
flat angles C4'-P-C4' energy: -79.952
flat angles P-C4'-P energy: -47.019
tors. eta vs tors. theta energy: -88.450
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: 7, replica: 2
=====================================
Write number: 409
Temperature: 1.200000
Total energy: -867.145236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -867.145236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -867.145236 (E_RNA)
where:
Base-Base interactions energy: -559.616
where: short stacking energy: -250.497
Base-Backbone interact. energy: 1.689
local terms energy: -309.217912
where:
bonds (distance) C4'-P energy: -65.658
bonds (distance) P-C4' energy: -71.910
flat angles C4'-P-C4' energy: -73.357
flat angles P-C4'-P energy: -27.080
tors. eta vs tors. theta energy: -71.212
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: 10
=====================================
Write number: 409
Temperature: 1.250000
Total energy: -881.521087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -881.521087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -881.521087 (E_RNA)
where:
Base-Base interactions energy: -598.126
where: short stacking energy: -240.185
Base-Backbone interact. energy: -0.898
local terms energy: -282.497018
where:
bonds (distance) C4'-P energy: -53.399
bonds (distance) P-C4' energy: -66.542
flat angles C4'-P-C4' energy: -67.143
flat angles P-C4'-P energy: -44.994
tors. eta vs tors. theta energy: -50.418
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: 8
=====================================
Write number: 409
Temperature: 1.300000
Total energy: -753.942528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -753.942528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -753.942528 (E_RNA)
where:
Base-Base interactions energy: -494.766
where: short stacking energy: -243.077
Base-Backbone interact. energy: -1.633
local terms energy: -257.543009
where:
bonds (distance) C4'-P energy: -55.803
bonds (distance) P-C4' energy: -61.220
flat angles C4'-P-C4' energy: -68.804
flat angles P-C4'-P energy: -29.120
tors. eta vs tors. theta energy: -42.596
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: 6
=====================================
Write number: 409
Temperature: 1.350000
Total energy: -558.237541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.237541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.237541 (E_RNA)
where:
Base-Base interactions energy: -328.197
where: short stacking energy: -142.459
Base-Backbone interact. energy: 1.974
local terms energy: -232.014871
where:
bonds (distance) C4'-P energy: -57.052
bonds (distance) P-C4' energy: -70.457
flat angles C4'-P-C4' energy: -60.638
flat angles P-C4'-P energy: -28.917
tors. eta vs tors. theta energy: -14.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 410
Temperature: 0.900000
Total energy: -1400.117838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1400.117838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1400.117838 (E_RNA)
where:
Base-Base interactions energy: -976.629
where: short stacking energy: -423.471
Base-Backbone interact. energy: -2.594
local terms energy: -420.894707
where:
bonds (distance) C4'-P energy: -66.277
bonds (distance) P-C4' energy: -77.173
flat angles C4'-P-C4' energy: -87.837
flat angles P-C4'-P energy: -68.949
tors. eta vs tors. theta energy: -120.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 410
Temperature: 0.950000
Total energy: -1352.153067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1352.153067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1352.153067 (E_RNA)
where:
Base-Base interactions energy: -960.447
where: short stacking energy: -393.780
Base-Backbone interact. energy: -0.336
local terms energy: -391.370131
where:
bonds (distance) C4'-P energy: -74.302
bonds (distance) P-C4' energy: -76.295
flat angles C4'-P-C4' energy: -75.223
flat angles P-C4'-P energy: -47.962
tors. eta vs tors. theta energy: -117.589
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: 3, replica: 3
=====================================
Write number: 410
Temperature: 1.000000
Total energy: -1254.052618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1254.052618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1254.052618 (E_RNA)
where:
Base-Base interactions energy: -844.451
where: short stacking energy: -379.231
Base-Backbone interact. energy: 0.395
local terms energy: -409.996152
where:
bonds (distance) C4'-P energy: -73.718
bonds (distance) P-C4' energy: -72.370
flat angles C4'-P-C4' energy: -89.611
flat angles P-C4'-P energy: -53.997
tors. eta vs tors. theta energy: -120.301
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: 4, replica: 9
=====================================
Write number: 410
Temperature: 1.050000
Total energy: -1200.741349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1200.741349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1200.741349 (E_RNA)
where:
Base-Base interactions energy: -838.060
where: short stacking energy: -346.552
Base-Backbone interact. energy: -0.202
local terms energy: -362.479135
where:
bonds (distance) C4'-P energy: -65.622
bonds (distance) P-C4' energy: -71.446
flat angles C4'-P-C4' energy: -81.118
flat angles P-C4'-P energy: -47.085
tors. eta vs tors. theta energy: -97.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 410
Temperature: 1.100000
Total energy: -1201.634671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1201.634671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1201.634671 (E_RNA)
where:
Base-Base interactions energy: -825.498
where: short stacking energy: -321.999
Base-Backbone interact. energy: -1.511
local terms energy: -374.625112
where:
bonds (distance) C4'-P energy: -82.289
bonds (distance) P-C4' energy: -67.246
flat angles C4'-P-C4' energy: -84.904
flat angles P-C4'-P energy: -49.442
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: 6, replica: 1
=====================================
Write number: 410
Temperature: 1.150000
Total energy: -1077.482009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1077.482009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1077.482009 (E_RNA)
where:
Base-Base interactions energy: -718.185
where: short stacking energy: -304.937
Base-Backbone interact. energy: -0.792
local terms energy: -358.505144
where:
bonds (distance) C4'-P energy: -65.882
bonds (distance) P-C4' energy: -74.417
flat angles C4'-P-C4' energy: -83.218
flat angles P-C4'-P energy: -50.544
tors. eta vs tors. theta energy: -84.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 410
Temperature: 1.200000
Total energy: -992.356834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -992.356834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -992.356834 (E_RNA)
where:
Base-Base interactions energy: -666.371
where: short stacking energy: -277.151
Base-Backbone interact. energy: -1.428
local terms energy: -324.558133
where:
bonds (distance) C4'-P energy: -66.745
bonds (distance) P-C4' energy: -78.133
flat angles C4'-P-C4' energy: -61.248
flat angles P-C4'-P energy: -46.181
tors. eta vs tors. theta energy: -72.252
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: 2
=====================================
Write number: 410
Temperature: 1.250000
Total energy: -845.395762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -845.395762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -845.395762 (E_RNA)
where:
Base-Base interactions energy: -552.142
where: short stacking energy: -249.758
Base-Backbone interact. energy: -3.285
local terms energy: -289.968818
where:
bonds (distance) C4'-P energy: -54.981
bonds (distance) P-C4' energy: -63.489
flat angles C4'-P-C4' energy: -77.242
flat angles P-C4'-P energy: -35.008
tors. eta vs tors. theta energy: -59.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 410
Temperature: 1.300000
Total energy: -728.984408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -728.984408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -728.984408 (E_RNA)
where:
Base-Base interactions energy: -451.224
where: short stacking energy: -213.282
Base-Backbone interact. energy: -1.452
local terms energy: -276.308209
where:
bonds (distance) C4'-P energy: -64.496
bonds (distance) P-C4' energy: -71.175
flat angles C4'-P-C4' energy: -57.721
flat angles P-C4'-P energy: -46.262
tors. eta vs tors. theta energy: -36.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 410
Temperature: 1.350000
Total energy: -557.114432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.114432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.114432 (E_RNA)
where:
Base-Base interactions energy: -335.700
where: short stacking energy: -166.948
Base-Backbone interact. energy: -1.133
local terms energy: -220.282151
where:
bonds (distance) C4'-P energy: -53.815
bonds (distance) P-C4' energy: -62.643
flat angles C4'-P-C4' energy: -59.100
flat angles P-C4'-P energy: -33.038
tors. eta vs tors. theta energy: -11.686
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: 1, replica: 7
=====================================
Write number: 411
Temperature: 0.900000
Total energy: -1396.053115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1396.053115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1396.053115 (E_RNA)
where:
Base-Base interactions energy: -966.851
where: short stacking energy: -402.143
Base-Backbone interact. energy: -1.490
local terms energy: -427.712399
where:
bonds (distance) C4'-P energy: -86.165
bonds (distance) P-C4' energy: -73.587
flat angles C4'-P-C4' energy: -92.253
flat angles P-C4'-P energy: -63.354
tors. eta vs tors. theta energy: -112.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 411
Temperature: 0.950000
Total energy: -1366.063041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1366.063041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1366.063041 (E_RNA)
where:
Base-Base interactions energy: -965.512
where: short stacking energy: -393.057
Base-Backbone interact. energy: 0.206
local terms energy: -400.757720
where:
bonds (distance) C4'-P energy: -73.038
bonds (distance) P-C4' energy: -71.844
flat angles C4'-P-C4' energy: -83.559
flat angles P-C4'-P energy: -56.967
tors. eta vs tors. theta energy: -115.350
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: 3, replica: 3
=====================================
Write number: 411
Temperature: 1.000000
Total energy: -1269.979768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1269.979768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1269.979768 (E_RNA)
where:
Base-Base interactions energy: -886.804
where: short stacking energy: -407.833
Base-Backbone interact. energy: -0.891
local terms energy: -382.284984
where:
bonds (distance) C4'-P energy: -67.872
bonds (distance) P-C4' energy: -69.290
flat angles C4'-P-C4' energy: -81.619
flat angles P-C4'-P energy: -53.884
tors. eta vs tors. theta energy: -109.620
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: 4, replica: 9
=====================================
Write number: 411
Temperature: 1.050000
Total energy: -1243.348956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1243.348956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1243.348956 (E_RNA)
where:
Base-Base interactions energy: -862.679
where: short stacking energy: -373.570
Base-Backbone interact. energy: -0.237
local terms energy: -380.432832
where:
bonds (distance) C4'-P energy: -66.845
bonds (distance) P-C4' energy: -67.526
flat angles C4'-P-C4' energy: -82.541
flat angles P-C4'-P energy: -57.459
tors. eta vs tors. theta energy: -106.062
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: 4
=====================================
Write number: 411
Temperature: 1.100000
Total energy: -1181.147426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1181.147426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1181.147426 (E_RNA)
where:
Base-Base interactions energy: -787.187
where: short stacking energy: -310.221
Base-Backbone interact. energy: -4.471
local terms energy: -389.489639
where:
bonds (distance) C4'-P energy: -73.739
bonds (distance) P-C4' energy: -82.385
flat angles C4'-P-C4' energy: -75.686
flat angles P-C4'-P energy: -59.668
tors. eta vs tors. theta energy: -98.012
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: 6, replica: 1
=====================================
Write number: 411
Temperature: 1.150000
Total energy: -1104.416184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1104.416184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1104.416184 (E_RNA)
where:
Base-Base interactions energy: -750.928
where: short stacking energy: -323.766
Base-Backbone interact. energy: -1.072
local terms energy: -352.416507
where:
bonds (distance) C4'-P energy: -62.075
bonds (distance) P-C4' energy: -72.421
flat angles C4'-P-C4' energy: -90.887
flat angles P-C4'-P energy: -40.680
tors. eta vs tors. theta energy: -86.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 411
Temperature: 1.200000
Total energy: -995.128920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -995.128920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -995.128920 (E_RNA)
where:
Base-Base interactions energy: -677.695
where: short stacking energy: -287.679
Base-Backbone interact. energy: 0.691
local terms energy: -318.125096
where:
bonds (distance) C4'-P energy: -63.004
bonds (distance) P-C4' energy: -76.958
flat angles C4'-P-C4' energy: -71.108
flat angles P-C4'-P energy: -37.925
tors. eta vs tors. theta energy: -69.130
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: 2
=====================================
Write number: 411
Temperature: 1.250000
Total energy: -850.746215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -850.746215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -850.746215 (E_RNA)
where:
Base-Base interactions energy: -551.332
where: short stacking energy: -255.793
Base-Backbone interact. energy: 2.275
local terms energy: -301.689714
where:
bonds (distance) C4'-P energy: -64.577
bonds (distance) P-C4' energy: -62.107
flat angles C4'-P-C4' energy: -63.972
flat angles P-C4'-P energy: -45.580
tors. eta vs tors. theta energy: -65.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 411
Temperature: 1.300000
Total energy: -643.158824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -643.158824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -643.158824 (E_RNA)
where:
Base-Base interactions energy: -418.438
where: short stacking energy: -194.966
Base-Backbone interact. energy: -1.425
local terms energy: -223.296555
where:
bonds (distance) C4'-P energy: -52.797
bonds (distance) P-C4' energy: -58.480
flat angles C4'-P-C4' energy: -64.129
flat angles P-C4'-P energy: -27.767
tors. eta vs tors. theta energy: -20.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 411
Temperature: 1.350000
Total energy: -540.871174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.871174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.871174 (E_RNA)
where:
Base-Base interactions energy: -299.531
where: short stacking energy: -144.791
Base-Backbone interact. energy: -0.180
local terms energy: -241.160102
where:
bonds (distance) C4'-P energy: -65.859
bonds (distance) P-C4' energy: -70.071
flat angles C4'-P-C4' energy: -55.738
flat angles P-C4'-P energy: -37.776
tors. eta vs tors. theta energy: -11.717
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: 7
=====================================
Write number: 412
Temperature: 0.900000
Total energy: -1404.310507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1404.310507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1404.310507 (E_RNA)
where:
Base-Base interactions energy: -1004.388
where: short stacking energy: -408.135
Base-Backbone interact. energy: -1.343
local terms energy: -398.579570
where:
bonds (distance) C4'-P energy: -77.805
bonds (distance) P-C4' energy: -65.167
flat angles C4'-P-C4' energy: -88.884
flat angles P-C4'-P energy: -53.260
tors. eta vs tors. theta energy: -113.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 412
Temperature: 0.950000
Total energy: -1344.400334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1344.400334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1344.400334 (E_RNA)
where:
Base-Base interactions energy: -953.183
where: short stacking energy: -377.730
Base-Backbone interact. energy: -4.534
local terms energy: -386.682691
where:
bonds (distance) C4'-P energy: -72.642
bonds (distance) P-C4' energy: -69.610
flat angles C4'-P-C4' energy: -79.335
flat angles P-C4'-P energy: -60.556
tors. eta vs tors. theta energy: -104.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 412
Temperature: 1.000000
Total energy: -1247.633079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1247.633079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1247.633079 (E_RNA)
where:
Base-Base interactions energy: -839.575
where: short stacking energy: -363.148
Base-Backbone interact. energy: -1.026
local terms energy: -407.031793
where:
bonds (distance) C4'-P energy: -75.542
bonds (distance) P-C4' energy: -65.490
flat angles C4'-P-C4' energy: -84.480
flat angles P-C4'-P energy: -66.269
tors. eta vs tors. theta energy: -115.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 412
Temperature: 1.050000
Total energy: -1192.612258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1192.612258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1192.612258 (E_RNA)
where:
Base-Base interactions energy: -837.292
where: short stacking energy: -347.548
Base-Backbone interact. energy: 0.555
local terms energy: -355.874648
where:
bonds (distance) C4'-P energy: -61.706
bonds (distance) P-C4' energy: -69.735
flat angles C4'-P-C4' energy: -79.976
flat angles P-C4'-P energy: -46.144
tors. eta vs tors. theta energy: -98.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 412
Temperature: 1.100000
Total energy: -1170.494079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1170.494079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1170.494079 (E_RNA)
where:
Base-Base interactions energy: -796.543
where: short stacking energy: -328.415
Base-Backbone interact. energy: -3.349
local terms energy: -370.601869
where:
bonds (distance) C4'-P energy: -74.305
bonds (distance) P-C4' energy: -72.995
flat angles C4'-P-C4' energy: -85.402
flat angles P-C4'-P energy: -46.012
tors. eta vs tors. theta energy: -91.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 412
Temperature: 1.150000
Total energy: -1081.778574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1081.778574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1081.778574 (E_RNA)
where:
Base-Base interactions energy: -737.666
where: short stacking energy: -304.130
Base-Backbone interact. energy: -1.513
local terms energy: -342.599466
where:
bonds (distance) C4'-P energy: -73.735
bonds (distance) P-C4' energy: -63.447
flat angles C4'-P-C4' energy: -74.770
flat angles P-C4'-P energy: -51.137
tors. eta vs tors. theta energy: -79.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 412
Temperature: 1.200000
Total energy: -1008.475464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1008.475464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1008.475464 (E_RNA)
where:
Base-Base interactions energy: -691.959
where: short stacking energy: -280.519
Base-Backbone interact. energy: -0.738
local terms energy: -315.778028
where:
bonds (distance) C4'-P energy: -64.221
bonds (distance) P-C4' energy: -68.635
flat angles C4'-P-C4' energy: -67.383
flat angles P-C4'-P energy: -55.939
tors. eta vs tors. theta energy: -59.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 412
Temperature: 1.250000
Total energy: -891.303988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -891.303988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -891.303988 (E_RNA)
where:
Base-Base interactions energy: -580.476
where: short stacking energy: -254.962
Base-Backbone interact. energy: -0.446
local terms energy: -310.381958
where:
bonds (distance) C4'-P energy: -65.245
bonds (distance) P-C4' energy: -76.021
flat angles C4'-P-C4' energy: -62.233
flat angles P-C4'-P energy: -46.017
tors. eta vs tors. theta energy: -60.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 412
Temperature: 1.300000
Total energy: -653.387152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -653.387152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -653.387152 (E_RNA)
where:
Base-Base interactions energy: -405.947
where: short stacking energy: -194.648
Base-Backbone interact. energy: -1.008
local terms energy: -246.431872
where:
bonds (distance) C4'-P energy: -67.740
bonds (distance) P-C4' energy: -65.394
flat angles C4'-P-C4' energy: -55.617
flat angles P-C4'-P energy: -33.578
tors. eta vs tors. theta energy: -24.103
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: 6
=====================================
Write number: 412
Temperature: 1.350000
Total energy: -488.124981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.124981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.124981 (E_RNA)
where:
Base-Base interactions energy: -263.073
where: short stacking energy: -122.911
Base-Backbone interact. energy: 3.737
local terms energy: -228.789437
where:
bonds (distance) C4'-P energy: -68.374
bonds (distance) P-C4' energy: -80.698
flat angles C4'-P-C4' energy: -47.208
flat angles P-C4'-P energy: -35.099
tors. eta vs tors. theta energy: 2.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 413
Temperature: 0.900000
Total energy: -1405.094807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1405.094807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1405.094807 (E_RNA)
where:
Base-Base interactions energy: -985.768
where: short stacking energy: -420.298
Base-Backbone interact. energy: -2.917
local terms energy: -416.410036
where:
bonds (distance) C4'-P energy: -61.292
bonds (distance) P-C4' energy: -90.377
flat angles C4'-P-C4' energy: -83.511
flat angles P-C4'-P energy: -61.294
tors. eta vs tors. theta energy: -119.936
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: 5
=====================================
Write number: 413
Temperature: 0.950000
Total energy: -1382.270679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1382.270679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1382.270679 (E_RNA)
where:
Base-Base interactions energy: -966.985
where: short stacking energy: -402.422
Base-Backbone interact. energy: -0.844
local terms energy: -414.441412
where:
bonds (distance) C4'-P energy: -78.892
bonds (distance) P-C4' energy: -86.759
flat angles C4'-P-C4' energy: -77.970
flat angles P-C4'-P energy: -55.630
tors. eta vs tors. theta energy: -115.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 413
Temperature: 1.000000
Total energy: -1238.643717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1238.643717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1238.643717 (E_RNA)
where:
Base-Base interactions energy: -837.354
where: short stacking energy: -363.142
Base-Backbone interact. energy: -0.277
local terms energy: -401.012295
where:
bonds (distance) C4'-P energy: -65.872
bonds (distance) P-C4' energy: -74.732
flat angles C4'-P-C4' energy: -95.496
flat angles P-C4'-P energy: -57.960
tors. eta vs tors. theta energy: -106.953
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: 4, replica: 9
=====================================
Write number: 413
Temperature: 1.050000
Total energy: -1186.309784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1186.309784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1186.309784 (E_RNA)
where:
Base-Base interactions energy: -805.165
where: short stacking energy: -356.474
Base-Backbone interact. energy: -0.760
local terms energy: -380.996933
where:
bonds (distance) C4'-P energy: -64.655
bonds (distance) P-C4' energy: -81.271
flat angles C4'-P-C4' energy: -83.558
flat angles P-C4'-P energy: -54.637
tors. eta vs tors. theta energy: -96.876
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.612 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 413
Temperature: 1.100000
Total energy: -1174.628904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1174.628904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1174.628904 (E_RNA)
where:
Base-Base interactions energy: -813.650
where: short stacking energy: -323.198
Base-Backbone interact. energy: -0.642
local terms energy: -360.336785
where:
bonds (distance) C4'-P energy: -68.066
bonds (distance) P-C4' energy: -69.250
flat angles C4'-P-C4' energy: -86.608
flat angles P-C4'-P energy: -46.320
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: 6, replica: 1
=====================================
Write number: 413
Temperature: 1.150000
Total energy: -1046.005686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1046.005686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1046.005686 (E_RNA)
where:
Base-Base interactions energy: -695.871
where: short stacking energy: -302.644
Base-Backbone interact. energy: -1.830
local terms energy: -348.304462
where:
bonds (distance) C4'-P energy: -73.068
bonds (distance) P-C4' energy: -59.015
flat angles C4'-P-C4' energy: -85.361
flat angles P-C4'-P energy: -45.401
tors. eta vs tors. theta energy: -85.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 413
Temperature: 1.200000
Total energy: -933.336247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -933.336247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -933.336247 (E_RNA)
where:
Base-Base interactions energy: -631.144
where: short stacking energy: -255.409
Base-Backbone interact. energy: -2.201
local terms energy: -299.991687
where:
bonds (distance) C4'-P energy: -62.907
bonds (distance) P-C4' energy: -66.632
flat angles C4'-P-C4' energy: -75.962
flat angles P-C4'-P energy: -45.906
tors. eta vs tors. theta energy: -48.585
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: 2
=====================================
Write number: 413
Temperature: 1.250000
Total energy: -889.510747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -889.510747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -889.510747 (E_RNA)
where:
Base-Base interactions energy: -579.504
where: short stacking energy: -266.595
Base-Backbone interact. energy: -2.225
local terms energy: -307.781216
where:
bonds (distance) C4'-P energy: -63.775
bonds (distance) P-C4' energy: -60.096
flat angles C4'-P-C4' energy: -74.049
flat angles P-C4'-P energy: -45.628
tors. eta vs tors. theta energy: -64.234
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: 8
=====================================
Write number: 413
Temperature: 1.300000
Total energy: -687.846291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -687.846291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -687.846291 (E_RNA)
where:
Base-Base interactions energy: -397.800
where: short stacking energy: -209.896
Base-Backbone interact. energy: -1.031
local terms energy: -289.014943
where:
bonds (distance) C4'-P energy: -62.458
bonds (distance) P-C4' energy: -75.353
flat angles C4'-P-C4' energy: -64.334
flat angles P-C4'-P energy: -45.890
tors. eta vs tors. theta energy: -40.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 413
Temperature: 1.350000
Total energy: -516.303541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.303541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.303541 (E_RNA)
where:
Base-Base interactions energy: -310.503
where: short stacking energy: -146.847
Base-Backbone interact. energy: -1.222
local terms energy: -204.796674
where:
bonds (distance) C4'-P energy: -55.249
bonds (distance) P-C4' energy: -59.950
flat angles C4'-P-C4' energy: -62.120
flat angles P-C4'-P energy: -14.786
tors. eta vs tors. theta energy: -12.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.218 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 414
Temperature: 0.900000
Total energy: -1411.633747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1411.633747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1411.633747 (E_RNA)
where:
Base-Base interactions energy: -988.264
where: short stacking energy: -426.382
Base-Backbone interact. energy: -0.610
local terms energy: -422.759079
where:
bonds (distance) C4'-P energy: -77.937
bonds (distance) P-C4' energy: -77.986
flat angles C4'-P-C4' energy: -82.793
flat angles P-C4'-P energy: -65.229
tors. eta vs tors. theta energy: -118.815
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: 5
=====================================
Write number: 414
Temperature: 0.950000
Total energy: -1366.574188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1366.574188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1366.574188 (E_RNA)
where:
Base-Base interactions energy: -957.263
where: short stacking energy: -395.143
Base-Backbone interact. energy: -1.706
local terms energy: -407.605916
where:
bonds (distance) C4'-P energy: -84.515
bonds (distance) P-C4' energy: -83.219
flat angles C4'-P-C4' energy: -79.082
flat angles P-C4'-P energy: -45.694
tors. eta vs tors. theta energy: -115.095
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: 3, replica: 3
=====================================
Write number: 414
Temperature: 1.000000
Total energy: -1214.510737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1214.510737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1214.510737 (E_RNA)
where:
Base-Base interactions energy: -834.657
where: short stacking energy: -369.124
Base-Backbone interact. energy: -0.276
local terms energy: -379.578527
where:
bonds (distance) C4'-P energy: -54.773
bonds (distance) P-C4' energy: -79.278
flat angles C4'-P-C4' energy: -87.738
flat angles P-C4'-P energy: -57.066
tors. eta vs tors. theta energy: -100.724
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: 4, replica: 9
=====================================
Write number: 414
Temperature: 1.050000
Total energy: -1183.892722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1183.892722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1183.892722 (E_RNA)
where:
Base-Base interactions energy: -807.079
where: short stacking energy: -346.364
Base-Backbone interact. energy: 1.196
local terms energy: -378.009963
where:
bonds (distance) C4'-P energy: -69.142
bonds (distance) P-C4' energy: -70.064
flat angles C4'-P-C4' energy: -83.063
flat angles P-C4'-P energy: -54.722
tors. eta vs tors. theta energy: -101.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 414
Temperature: 1.100000
Total energy: -1189.179150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1189.179150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1189.179150 (E_RNA)
where:
Base-Base interactions energy: -796.457
where: short stacking energy: -327.937
Base-Backbone interact. energy: -1.568
local terms energy: -391.153599
where:
bonds (distance) C4'-P energy: -75.947
bonds (distance) P-C4' energy: -75.289
flat angles C4'-P-C4' energy: -83.707
flat angles P-C4'-P energy: -65.797
tors. eta vs tors. theta energy: -90.413
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: 1
=====================================
Write number: 414
Temperature: 1.150000
Total energy: -1015.583692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1015.583692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1015.583692 (E_RNA)
where:
Base-Base interactions energy: -660.622
where: short stacking energy: -299.862
Base-Backbone interact. energy: -1.380
local terms energy: -353.582180
where:
bonds (distance) C4'-P energy: -73.685
bonds (distance) P-C4' energy: -74.809
flat angles C4'-P-C4' energy: -72.692
flat angles P-C4'-P energy: -48.471
tors. eta vs tors. theta energy: -83.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 414
Temperature: 1.200000
Total energy: -924.980579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -924.980579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -924.980579 (E_RNA)
where:
Base-Base interactions energy: -602.378
where: short stacking energy: -279.232
Base-Backbone interact. energy: -2.021
local terms energy: -320.580871
where:
bonds (distance) C4'-P energy: -66.729
bonds (distance) P-C4' energy: -69.880
flat angles C4'-P-C4' energy: -76.119
flat angles P-C4'-P energy: -45.384
tors. eta vs tors. theta energy: -62.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 414
Temperature: 1.250000
Total energy: -849.314282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -849.314282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -849.314282 (E_RNA)
where:
Base-Base interactions energy: -543.690
where: short stacking energy: -254.649
Base-Backbone interact. energy: 2.147
local terms energy: -307.772111
where:
bonds (distance) C4'-P energy: -74.336
bonds (distance) P-C4' energy: -72.225
flat angles C4'-P-C4' energy: -59.744
flat angles P-C4'-P energy: -44.895
tors. eta vs tors. theta energy: -56.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 414
Temperature: 1.300000
Total energy: -759.111204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -759.111204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -759.111204 (E_RNA)
where:
Base-Base interactions energy: -479.309
where: short stacking energy: -237.202
Base-Backbone interact. energy: 2.020
local terms energy: -281.822079
where:
bonds (distance) C4'-P energy: -57.669
bonds (distance) P-C4' energy: -72.307
flat angles C4'-P-C4' energy: -67.977
flat angles P-C4'-P energy: -38.790
tors. eta vs tors. theta energy: -45.079
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: 6
=====================================
Write number: 414
Temperature: 1.350000
Total energy: -563.174896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -563.174896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -563.174896 (E_RNA)
where:
Base-Base interactions energy: -330.965
where: short stacking energy: -170.814
Base-Backbone interact. energy: 0.720
local terms energy: -232.929546
where:
bonds (distance) C4'-P energy: -61.042
bonds (distance) P-C4' energy: -60.856
flat angles C4'-P-C4' energy: -58.386
flat angles P-C4'-P energy: -31.684
tors. eta vs tors. theta energy: -20.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 415
Temperature: 0.900000
Total energy: -1405.619931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1405.619931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1405.619931 (E_RNA)
where:
Base-Base interactions energy: -976.812
where: short stacking energy: -424.790
Base-Backbone interact. energy: -1.042
local terms energy: -427.766347
where:
bonds (distance) C4'-P energy: -77.607
bonds (distance) P-C4' energy: -81.214
flat angles C4'-P-C4' energy: -89.753
flat angles P-C4'-P energy: -64.478
tors. eta vs tors. theta energy: -114.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 415
Temperature: 0.950000
Total energy: -1362.074640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1362.074640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1362.074640 (E_RNA)
where:
Base-Base interactions energy: -959.796
where: short stacking energy: -389.955
Base-Backbone interact. energy: 3.112
local terms energy: -405.390909
where:
bonds (distance) C4'-P energy: -75.045
bonds (distance) P-C4' energy: -66.214
flat angles C4'-P-C4' energy: -87.240
flat angles P-C4'-P energy: -62.295
tors. eta vs tors. theta energy: -114.598
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: 415
Temperature: 1.000000
Total energy: -1233.758445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1233.758445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1233.758445 (E_RNA)
where:
Base-Base interactions energy: -841.711
where: short stacking energy: -374.077
Base-Backbone interact. energy: -0.313
local terms energy: -391.734674
where:
bonds (distance) C4'-P energy: -70.396
bonds (distance) P-C4' energy: -69.197
flat angles C4'-P-C4' energy: -82.635
flat angles P-C4'-P energy: -58.162
tors. eta vs tors. theta energy: -111.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 415
Temperature: 1.050000
Total energy: -1187.980467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1187.980467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1187.980467 (E_RNA)
where:
Base-Base interactions energy: -827.769
where: short stacking energy: -333.176
Base-Backbone interact. energy: 1.406
local terms energy: -361.616665
where:
bonds (distance) C4'-P energy: -59.104
bonds (distance) P-C4' energy: -80.058
flat angles C4'-P-C4' energy: -84.816
flat angles P-C4'-P energy: -43.991
tors. eta vs tors. theta energy: -93.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 415
Temperature: 1.100000
Total energy: -1132.855505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1132.855505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1132.855505 (E_RNA)
where:
Base-Base interactions energy: -763.572
where: short stacking energy: -322.252
Base-Backbone interact. energy: -0.625
local terms energy: -368.657993
where:
bonds (distance) C4'-P energy: -71.441
bonds (distance) P-C4' energy: -80.557
flat angles C4'-P-C4' energy: -69.128
flat angles P-C4'-P energy: -54.801
tors. eta vs tors. theta energy: -92.731
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: 6, replica: 1
=====================================
Write number: 415
Temperature: 1.150000
Total energy: -1055.097089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1055.097089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1055.097089 (E_RNA)
where:
Base-Base interactions energy: -723.006
where: short stacking energy: -312.678
Base-Backbone interact. energy: 1.818
local terms energy: -333.909218
where:
bonds (distance) C4'-P energy: -48.952
bonds (distance) P-C4' energy: -71.423
flat angles C4'-P-C4' energy: -77.111
flat angles P-C4'-P energy: -49.370
tors. eta vs tors. theta energy: -87.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 415
Temperature: 1.200000
Total energy: -951.567572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -951.567572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -951.567572 (E_RNA)
where:
Base-Base interactions energy: -641.710
where: short stacking energy: -276.174
Base-Backbone interact. energy: 3.032
local terms energy: -312.889082
where:
bonds (distance) C4'-P energy: -65.404
bonds (distance) P-C4' energy: -73.753
flat angles C4'-P-C4' energy: -62.146
flat angles P-C4'-P energy: -52.903
tors. eta vs tors. theta energy: -58.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 415
Temperature: 1.250000
Total energy: -888.317788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -888.317788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -888.317788 (E_RNA)
where:
Base-Base interactions energy: -590.440
where: short stacking energy: -271.182
Base-Backbone interact. energy: 0.553
local terms energy: -298.430984
where:
bonds (distance) C4'-P energy: -67.442
bonds (distance) P-C4' energy: -62.105
flat angles C4'-P-C4' energy: -61.087
flat angles P-C4'-P energy: -40.139
tors. eta vs tors. theta energy: -67.658
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: 9, replica: 8
=====================================
Write number: 415
Temperature: 1.300000
Total energy: -733.442936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -733.442936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -733.442936 (E_RNA)
where:
Base-Base interactions energy: -446.510
where: short stacking energy: -205.643
Base-Backbone interact. energy: -0.464
local terms energy: -286.469476
where:
bonds (distance) C4'-P energy: -73.210
bonds (distance) P-C4' energy: -60.642
flat angles C4'-P-C4' energy: -74.333
flat angles P-C4'-P energy: -40.194
tors. eta vs tors. theta energy: -38.090
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: 6
=====================================
Write number: 415
Temperature: 1.350000
Total energy: -541.200057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.200057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.200057 (E_RNA)
where:
Base-Base interactions energy: -299.065
where: short stacking energy: -137.751
Base-Backbone interact. energy: -0.213
local terms energy: -241.921505
where:
bonds (distance) C4'-P energy: -63.485
bonds (distance) P-C4' energy: -70.575
flat angles C4'-P-C4' energy: -53.226
flat angles P-C4'-P energy: -48.957
tors. eta vs tors. theta energy: -5.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 416
Temperature: 0.900000
Total energy: -1398.805017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1398.805017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1398.805017 (E_RNA)
where:
Base-Base interactions energy: -964.344
where: short stacking energy: -415.015
Base-Backbone interact. energy: -2.174
local terms energy: -432.286973
where:
bonds (distance) C4'-P energy: -78.411
bonds (distance) P-C4' energy: -87.101
flat angles C4'-P-C4' energy: -90.289
flat angles P-C4'-P energy: -61.576
tors. eta vs tors. theta energy: -114.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 416
Temperature: 0.950000
Total energy: -1378.160073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1378.160073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1378.160073 (E_RNA)
where:
Base-Base interactions energy: -961.213
where: short stacking energy: -415.753
Base-Backbone interact. energy: -1.112
local terms energy: -415.834979
where:
bonds (distance) C4'-P energy: -82.996
bonds (distance) P-C4' energy: -71.711
flat angles C4'-P-C4' energy: -87.753
flat angles P-C4'-P energy: -55.992
tors. eta vs tors. theta energy: -117.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 416
Temperature: 1.000000
Total energy: -1254.303434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1254.303434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1254.303434 (E_RNA)
where:
Base-Base interactions energy: -869.324
where: short stacking energy: -369.130
Base-Backbone interact. energy: -3.345
local terms energy: -381.634198
where:
bonds (distance) C4'-P energy: -67.139
bonds (distance) P-C4' energy: -75.029
flat angles C4'-P-C4' energy: -82.146
flat angles P-C4'-P energy: -54.411
tors. eta vs tors. theta energy: -102.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 416
Temperature: 1.050000
Total energy: -1231.130052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1231.130052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1231.130052 (E_RNA)
where:
Base-Base interactions energy: -861.341
where: short stacking energy: -380.509
Base-Backbone interact. energy: -1.329
local terms energy: -368.460099
where:
bonds (distance) C4'-P energy: -67.216
bonds (distance) P-C4' energy: -67.677
flat angles C4'-P-C4' energy: -88.769
flat angles P-C4'-P energy: -45.914
tors. eta vs tors. theta energy: -98.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 416
Temperature: 1.100000
Total energy: -1091.535237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1091.535237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1091.535237 (E_RNA)
where:
Base-Base interactions energy: -730.612
where: short stacking energy: -320.840
Base-Backbone interact. energy: -1.822
local terms energy: -359.101224
where:
bonds (distance) C4'-P energy: -65.011
bonds (distance) P-C4' energy: -70.700
flat angles C4'-P-C4' energy: -86.527
flat angles P-C4'-P energy: -46.680
tors. eta vs tors. theta energy: -90.182
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: 1
=====================================
Write number: 416
Temperature: 1.150000
Total energy: -1074.318064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1074.318064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1074.318064 (E_RNA)
where:
Base-Base interactions energy: -746.778
where: short stacking energy: -340.100
Base-Backbone interact. energy: -0.259
local terms energy: -327.280524
where:
bonds (distance) C4'-P energy: -57.440
bonds (distance) P-C4' energy: -66.912
flat angles C4'-P-C4' energy: -73.072
flat angles P-C4'-P energy: -42.366
tors. eta vs tors. theta energy: -87.490
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: 10
=====================================
Write number: 416
Temperature: 1.200000
Total energy: -975.983248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -975.983248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -975.983248 (E_RNA)
where:
Base-Base interactions energy: -665.290
where: short stacking energy: -295.787
Base-Backbone interact. energy: -1.195
local terms energy: -309.497740
where:
bonds (distance) C4'-P energy: -73.360
bonds (distance) P-C4' energy: -61.477
flat angles C4'-P-C4' energy: -56.601
flat angles P-C4'-P energy: -39.827
tors. eta vs tors. theta energy: -78.233
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: 2
=====================================
Write number: 416
Temperature: 1.250000
Total energy: -805.167129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -805.167129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -805.167129 (E_RNA)
where:
Base-Base interactions energy: -506.042
where: short stacking energy: -239.235
Base-Backbone interact. energy: -1.776
local terms energy: -297.348712
where:
bonds (distance) C4'-P energy: -77.696
bonds (distance) P-C4' energy: -71.043
flat angles C4'-P-C4' energy: -66.493
flat angles P-C4'-P energy: -31.951
tors. eta vs tors. theta energy: -50.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 416
Temperature: 1.300000
Total energy: -749.457007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -749.457007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -749.457007 (E_RNA)
where:
Base-Base interactions energy: -482.410
where: short stacking energy: -216.568
Base-Backbone interact. energy: -2.321
local terms energy: -264.726104
where:
bonds (distance) C4'-P energy: -61.514
bonds (distance) P-C4' energy: -64.760
flat angles C4'-P-C4' energy: -64.588
flat angles P-C4'-P energy: -34.604
tors. eta vs tors. theta energy: -39.260
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: 10, replica: 6
=====================================
Write number: 416
Temperature: 1.350000
Total energy: -498.140935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.140935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.140935 (E_RNA)
where:
Base-Base interactions energy: -275.322
where: short stacking energy: -146.187
Base-Backbone interact. energy: 2.273
local terms energy: -227.630751
where:
bonds (distance) C4'-P energy: -52.944
bonds (distance) P-C4' energy: -66.900
flat angles C4'-P-C4' energy: -65.783
flat angles P-C4'-P energy: -29.273
tors. eta vs tors. theta energy: -12.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 2.539 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 417
Temperature: 0.900000
Total energy: -1386.892487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1386.892487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1386.892487 (E_RNA)
where:
Base-Base interactions energy: -957.867
where: short stacking energy: -386.732
Base-Backbone interact. energy: -2.147
local terms energy: -426.878272
where:
bonds (distance) C4'-P energy: -77.862
bonds (distance) P-C4' energy: -80.769
flat angles C4'-P-C4' energy: -91.481
flat angles P-C4'-P energy: -64.408
tors. eta vs tors. theta energy: -112.358
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: 2, replica: 7
=====================================
Write number: 417
Temperature: 0.950000
Total energy: -1390.675841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1390.675841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1390.675841 (E_RNA)
where:
Base-Base interactions energy: -976.061
where: short stacking energy: -419.230
Base-Backbone interact. energy: -0.955
local terms energy: -413.660521
where:
bonds (distance) C4'-P energy: -67.043
bonds (distance) P-C4' energy: -81.146
flat angles C4'-P-C4' energy: -92.573
flat angles P-C4'-P energy: -61.724
tors. eta vs tors. theta energy: -111.174
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: 3, replica: 4
=====================================
Write number: 417
Temperature: 1.000000
Total energy: -1213.621331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1213.621331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1213.621331 (E_RNA)
where:
Base-Base interactions energy: -846.849
where: short stacking energy: -352.906
Base-Backbone interact. energy: -2.743
local terms energy: -364.029227
where:
bonds (distance) C4'-P energy: -73.452
bonds (distance) P-C4' energy: -74.224
flat angles C4'-P-C4' energy: -83.651
flat angles P-C4'-P energy: -53.482
tors. eta vs tors. theta energy: -79.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 417
Temperature: 1.050000
Total energy: -1220.281638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1220.281638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1220.281638 (E_RNA)
where:
Base-Base interactions energy: -839.601
where: short stacking energy: -369.327
Base-Backbone interact. energy: 1.017
local terms energy: -381.697786
where:
bonds (distance) C4'-P energy: -77.982
bonds (distance) P-C4' energy: -67.928
flat angles C4'-P-C4' energy: -85.986
flat angles P-C4'-P energy: -52.811
tors. eta vs tors. theta energy: -96.991
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: 9
=====================================
Write number: 417
Temperature: 1.100000
Total energy: -1107.290417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1107.290417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1107.290417 (E_RNA)
where:
Base-Base interactions energy: -728.669
where: short stacking energy: -327.608
Base-Backbone interact. energy: -0.304
local terms energy: -378.317937
where:
bonds (distance) C4'-P energy: -75.377
bonds (distance) P-C4' energy: -72.208
flat angles C4'-P-C4' energy: -79.010
flat angles P-C4'-P energy: -56.276
tors. eta vs tors. theta energy: -95.447
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: 1
=====================================
Write number: 417
Temperature: 1.150000
Total energy: -1040.432001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1040.432001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1040.432001 (E_RNA)
where:
Base-Base interactions energy: -699.473
where: short stacking energy: -326.986
Base-Backbone interact. energy: -1.158
local terms energy: -339.800555
where:
bonds (distance) C4'-P energy: -69.899
bonds (distance) P-C4' energy: -69.161
flat angles C4'-P-C4' energy: -76.875
flat angles P-C4'-P energy: -40.958
tors. eta vs tors. theta energy: -82.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 417
Temperature: 1.200000
Total energy: -945.056802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -945.056802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -945.056802 (E_RNA)
where:
Base-Base interactions energy: -642.498
where: short stacking energy: -283.497
Base-Backbone interact. energy: -1.246
local terms energy: -301.311919
where:
bonds (distance) C4'-P energy: -65.446
bonds (distance) P-C4' energy: -58.454
flat angles C4'-P-C4' energy: -71.263
flat angles P-C4'-P energy: -43.335
tors. eta vs tors. theta energy: -62.814
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: 2
=====================================
Write number: 417
Temperature: 1.250000
Total energy: -823.737440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -823.737440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -823.737440 (E_RNA)
where:
Base-Base interactions energy: -520.604
where: short stacking energy: -244.273
Base-Backbone interact. energy: 3.005
local terms energy: -306.138574
where:
bonds (distance) C4'-P energy: -56.959
bonds (distance) P-C4' energy: -71.795
flat angles C4'-P-C4' energy: -74.270
flat angles P-C4'-P energy: -46.880
tors. eta vs tors. theta energy: -56.235
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: 9, replica: 8
=====================================
Write number: 417
Temperature: 1.300000
Total energy: -734.369092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -734.369092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -734.369092 (E_RNA)
where:
Base-Base interactions energy: -442.810
where: short stacking energy: -202.904
Base-Backbone interact. energy: -1.217
local terms energy: -290.342180
where:
bonds (distance) C4'-P energy: -77.255
bonds (distance) P-C4' energy: -69.155
flat angles C4'-P-C4' energy: -66.773
flat angles P-C4'-P energy: -28.987
tors. eta vs tors. theta energy: -48.171
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: 6
=====================================
Write number: 417
Temperature: 1.350000
Total energy: -495.492442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.492442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.492442 (E_RNA)
where:
Base-Base interactions energy: -282.618
where: short stacking energy: -119.944
Base-Backbone interact. energy: -0.715
local terms energy: -212.158828
where:
bonds (distance) C4'-P energy: -50.325
bonds (distance) P-C4' energy: -59.424
flat angles C4'-P-C4' energy: -56.887
flat angles P-C4'-P energy: -43.057
tors. eta vs tors. theta energy: -2.466
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: 7
=====================================
Write number: 418
Temperature: 0.900000
Total energy: -1418.271261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1418.271261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1418.271261 (E_RNA)
where:
Base-Base interactions energy: -991.086
where: short stacking energy: -421.827
Base-Backbone interact. energy: -1.398
local terms energy: -425.787764
where:
bonds (distance) C4'-P energy: -77.486
bonds (distance) P-C4' energy: -77.796
flat angles C4'-P-C4' energy: -87.684
flat angles P-C4'-P energy: -63.361
tors. eta vs tors. theta energy: -119.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 418
Temperature: 0.950000
Total energy: -1353.845551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1353.845551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1353.845551 (E_RNA)
where:
Base-Base interactions energy: -941.631
where: short stacking energy: -389.535
Base-Backbone interact. energy: -1.297
local terms energy: -410.917499
where:
bonds (distance) C4'-P energy: -74.681
bonds (distance) P-C4' energy: -75.442
flat angles C4'-P-C4' energy: -91.888
flat angles P-C4'-P energy: -59.945
tors. eta vs tors. theta energy: -108.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 418
Temperature: 1.000000
Total energy: -1261.112774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1261.112774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1261.112774 (E_RNA)
where:
Base-Base interactions energy: -878.003
where: short stacking energy: -387.433
Base-Backbone interact. energy: -1.152
local terms energy: -381.957494
where:
bonds (distance) C4'-P energy: -59.008
bonds (distance) P-C4' energy: -69.479
flat angles C4'-P-C4' energy: -83.790
flat angles P-C4'-P energy: -55.762
tors. eta vs tors. theta energy: -113.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 418
Temperature: 1.050000
Total energy: -1193.470195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1193.470195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1193.470195 (E_RNA)
where:
Base-Base interactions energy: -812.112
where: short stacking energy: -345.002
Base-Backbone interact. energy: 1.429
local terms energy: -382.787541
where:
bonds (distance) C4'-P energy: -64.747
bonds (distance) P-C4' energy: -81.338
flat angles C4'-P-C4' energy: -86.418
flat angles P-C4'-P energy: -47.554
tors. eta vs tors. theta energy: -102.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 418
Temperature: 1.100000
Total energy: -1114.812757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1114.812757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1114.812757 (E_RNA)
where:
Base-Base interactions energy: -750.145
where: short stacking energy: -346.857
Base-Backbone interact. energy: -0.800
local terms energy: -363.867874
where:
bonds (distance) C4'-P energy: -72.908
bonds (distance) P-C4' energy: -63.214
flat angles C4'-P-C4' energy: -86.224
flat angles P-C4'-P energy: -50.858
tors. eta vs tors. theta energy: -90.664
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: 1
=====================================
Write number: 418
Temperature: 1.150000
Total energy: -1015.763643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1015.763643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1015.763643 (E_RNA)
where:
Base-Base interactions energy: -668.758
where: short stacking energy: -294.307
Base-Backbone interact. energy: 0.959
local terms energy: -348.012547
where:
bonds (distance) C4'-P energy: -69.196
bonds (distance) P-C4' energy: -68.573
flat angles C4'-P-C4' energy: -77.309
flat angles P-C4'-P energy: -51.731
tors. eta vs tors. theta energy: -81.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.047 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 418
Temperature: 1.200000
Total energy: -937.991924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -937.991924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -937.991924 (E_RNA)
where:
Base-Base interactions energy: -640.067
where: short stacking energy: -283.759
Base-Backbone interact. energy: 2.630
local terms energy: -300.555147
where:
bonds (distance) C4'-P energy: -56.294
bonds (distance) P-C4' energy: -57.498
flat angles C4'-P-C4' energy: -75.775
flat angles P-C4'-P energy: -50.113
tors. eta vs tors. theta energy: -60.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 418
Temperature: 1.250000
Total energy: -827.133671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -827.133671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -827.133671 (E_RNA)
where:
Base-Base interactions energy: -544.066
where: short stacking energy: -236.092
Base-Backbone interact. energy: -0.534
local terms energy: -282.533709
where:
bonds (distance) C4'-P energy: -63.484
bonds (distance) P-C4' energy: -61.785
flat angles C4'-P-C4' energy: -75.241
flat angles P-C4'-P energy: -29.739
tors. eta vs tors. theta energy: -52.284
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: 8
=====================================
Write number: 418
Temperature: 1.300000
Total energy: -740.468701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -740.468701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -740.468701 (E_RNA)
where:
Base-Base interactions energy: -451.631
where: short stacking energy: -203.881
Base-Backbone interact. energy: 0.059
local terms energy: -288.896555
where:
bonds (distance) C4'-P energy: -74.433
bonds (distance) P-C4' energy: -68.361
flat angles C4'-P-C4' energy: -65.601
flat angles P-C4'-P energy: -37.028
tors. eta vs tors. theta energy: -43.473
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: 6
=====================================
Write number: 418
Temperature: 1.350000
Total energy: -477.155093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.155093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.155093 (E_RNA)
where:
Base-Base interactions energy: -241.056
where: short stacking energy: -140.012
Base-Backbone interact. energy: 0.245
local terms energy: -236.344372
where:
bonds (distance) C4'-P energy: -67.133
bonds (distance) P-C4' energy: -67.421
flat angles C4'-P-C4' energy: -58.388
flat angles P-C4'-P energy: -30.710
tors. eta vs tors. theta energy: -12.692
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: 1, replica: 7
=====================================
Write number: 419
Temperature: 0.900000
Total energy: -1414.875797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1414.875797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1414.875797 (E_RNA)
where:
Base-Base interactions energy: -972.164
where: short stacking energy: -419.671
Base-Backbone interact. energy: -1.642
local terms energy: -441.069868
where:
bonds (distance) C4'-P energy: -78.587
bonds (distance) P-C4' energy: -80.538
flat angles C4'-P-C4' energy: -97.966
flat angles P-C4'-P energy: -61.711
tors. eta vs tors. theta energy: -122.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 419
Temperature: 0.950000
Total energy: -1351.387616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1351.387616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1351.387616 (E_RNA)
where:
Base-Base interactions energy: -941.540
where: short stacking energy: -381.583
Base-Backbone interact. energy: -0.842
local terms energy: -409.005255
where:
bonds (distance) C4'-P energy: -75.292
bonds (distance) P-C4' energy: -72.589
flat angles C4'-P-C4' energy: -90.123
flat angles P-C4'-P energy: -58.866
tors. eta vs tors. theta energy: -112.134
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: 3
=====================================
Write number: 419
Temperature: 1.000000
Total energy: -1286.511779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1286.511779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1286.511779 (E_RNA)
where:
Base-Base interactions energy: -875.018
where: short stacking energy: -379.361
Base-Backbone interact. energy: 0.926
local terms energy: -412.419812
where:
bonds (distance) C4'-P energy: -74.776
bonds (distance) P-C4' energy: -76.751
flat angles C4'-P-C4' energy: -85.727
flat angles P-C4'-P energy: -61.105
tors. eta vs tors. theta energy: -114.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 419
Temperature: 1.050000
Total energy: -1220.174479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1220.174479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1220.174479 (E_RNA)
where:
Base-Base interactions energy: -827.587
where: short stacking energy: -344.247
Base-Backbone interact. energy: -2.635
local terms energy: -389.952936
where:
bonds (distance) C4'-P energy: -73.801
bonds (distance) P-C4' energy: -70.547
flat angles C4'-P-C4' energy: -87.360
flat angles P-C4'-P energy: -56.035
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: 9
=====================================
Write number: 419
Temperature: 1.100000
Total energy: -1133.622787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1133.622787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1133.622787 (E_RNA)
where:
Base-Base interactions energy: -771.637
where: short stacking energy: -331.391
Base-Backbone interact. energy: -1.343
local terms energy: -361.100430
where:
bonds (distance) C4'-P energy: -80.852
bonds (distance) P-C4' energy: -71.045
flat angles C4'-P-C4' energy: -79.535
flat angles P-C4'-P energy: -46.852
tors. eta vs tors. theta energy: -82.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.457 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 419
Temperature: 1.150000
Total energy: -1022.107595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1022.107595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1022.107595 (E_RNA)
where:
Base-Base interactions energy: -676.218
where: short stacking energy: -304.609
Base-Backbone interact. energy: 1.949
local terms energy: -347.837929
where:
bonds (distance) C4'-P energy: -69.794
bonds (distance) P-C4' energy: -65.070
flat angles C4'-P-C4' energy: -76.853
flat angles P-C4'-P energy: -50.382
tors. eta vs tors. theta energy: -85.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 419
Temperature: 1.200000
Total energy: -939.516658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -939.516658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -939.516658 (E_RNA)
where:
Base-Base interactions energy: -626.651
where: short stacking energy: -270.611
Base-Backbone interact. energy: -4.395
local terms energy: -308.470438
where:
bonds (distance) C4'-P energy: -62.051
bonds (distance) P-C4' energy: -63.898
flat angles C4'-P-C4' energy: -66.493
flat angles P-C4'-P energy: -50.353
tors. eta vs tors. theta energy: -65.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 419
Temperature: 1.250000
Total energy: -795.322222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -795.322222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -795.322222 (E_RNA)
where:
Base-Base interactions energy: -504.415
where: short stacking energy: -237.099
Base-Backbone interact. energy: -0.436
local terms energy: -290.471033
where:
bonds (distance) C4'-P energy: -49.078
bonds (distance) P-C4' energy: -66.667
flat angles C4'-P-C4' energy: -72.463
flat angles P-C4'-P energy: -45.682
tors. eta vs tors. theta energy: -56.580
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: 8
=====================================
Write number: 419
Temperature: 1.300000
Total energy: -718.716855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -718.716855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -718.716855 (E_RNA)
where:
Base-Base interactions energy: -453.690
where: short stacking energy: -207.008
Base-Backbone interact. energy: 0.916
local terms energy: -265.942744
where:
bonds (distance) C4'-P energy: -59.078
bonds (distance) P-C4' energy: -57.267
flat angles C4'-P-C4' energy: -67.130
flat angles P-C4'-P energy: -36.100
tors. eta vs tors. theta energy: -46.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 419
Temperature: 1.350000
Total energy: -486.514294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.514294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.514294 (E_RNA)
where:
Base-Base interactions energy: -269.612
where: short stacking energy: -126.641
Base-Backbone interact. energy: 0.678
local terms energy: -217.579853
where:
bonds (distance) C4'-P energy: -48.184
bonds (distance) P-C4' energy: -77.761
flat angles C4'-P-C4' energy: -47.087
flat angles P-C4'-P energy: -51.432
tors. eta vs tors. theta energy: 6.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 420
Temperature: 0.900000
Total energy: -1410.114134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1410.114134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1410.114134 (E_RNA)
where:
Base-Base interactions energy: -998.388
where: short stacking energy: -426.143
Base-Backbone interact. energy: -0.847
local terms energy: -410.879235
where:
bonds (distance) C4'-P energy: -69.086
bonds (distance) P-C4' energy: -75.668
flat angles C4'-P-C4' energy: -92.005
flat angles P-C4'-P energy: -52.688
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: 2, replica: 5
=====================================
Write number: 420
Temperature: 0.950000
Total energy: -1361.893466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1361.893466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1361.893466 (E_RNA)
where:
Base-Base interactions energy: -956.061
where: short stacking energy: -393.983
Base-Backbone interact. energy: -1.249
local terms energy: -404.582673
where:
bonds (distance) C4'-P energy: -70.771
bonds (distance) P-C4' energy: -83.922
flat angles C4'-P-C4' energy: -81.285
flat angles P-C4'-P energy: -53.330
tors. eta vs tors. theta energy: -115.274
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: 3
=====================================
Write number: 420
Temperature: 1.000000
Total energy: -1267.990793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1267.990793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1267.990793 (E_RNA)
where:
Base-Base interactions energy: -878.069
where: short stacking energy: -361.750
Base-Backbone interact. energy: -2.037
local terms energy: -387.885716
where:
bonds (distance) C4'-P energy: -65.422
bonds (distance) P-C4' energy: -76.853
flat angles C4'-P-C4' energy: -80.539
flat angles P-C4'-P energy: -60.973
tors. eta vs tors. theta energy: -104.100
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: 4
=====================================
Write number: 420
Temperature: 1.050000
Total energy: -1196.493176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1196.493176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1196.493176 (E_RNA)
where:
Base-Base interactions energy: -831.074
where: short stacking energy: -365.738
Base-Backbone interact. energy: -2.140
local terms energy: -363.279184
where:
bonds (distance) C4'-P energy: -74.716
bonds (distance) P-C4' energy: -65.618
flat angles C4'-P-C4' energy: -76.460
flat angles P-C4'-P energy: -55.821
tors. eta vs tors. theta energy: -90.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 420
Temperature: 1.100000
Total energy: -1158.697759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1158.697759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1158.697759 (E_RNA)
where:
Base-Base interactions energy: -808.111
where: short stacking energy: -335.312
Base-Backbone interact. energy: -0.525
local terms energy: -350.805183
where:
bonds (distance) C4'-P energy: -68.017
bonds (distance) P-C4' energy: -74.684
flat angles C4'-P-C4' energy: -75.417
flat angles P-C4'-P energy: -46.344
tors. eta vs tors. theta energy: -86.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.743 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 420
Temperature: 1.150000
Total energy: -1057.168207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1057.168207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1057.168207 (E_RNA)
where:
Base-Base interactions energy: -688.154
where: short stacking energy: -317.767
Base-Backbone interact. energy: -1.356
local terms energy: -367.658194
where:
bonds (distance) C4'-P energy: -65.861
bonds (distance) P-C4' energy: -72.858
flat angles C4'-P-C4' energy: -69.517
flat angles P-C4'-P energy: -64.914
tors. eta vs tors. theta energy: -94.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 420
Temperature: 1.200000
Total energy: -939.795911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -939.795911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -939.795911 (E_RNA)
where:
Base-Base interactions energy: -660.340
where: short stacking energy: -272.473
Base-Backbone interact. energy: -0.950
local terms energy: -278.506086
where:
bonds (distance) C4'-P energy: -59.034
bonds (distance) P-C4' energy: -46.357
flat angles C4'-P-C4' energy: -73.225
flat angles P-C4'-P energy: -47.744
tors. eta vs tors. theta energy: -52.145
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: 420
Temperature: 1.250000
Total energy: -825.994459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -825.994459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -825.994459 (E_RNA)
where:
Base-Base interactions energy: -522.046
where: short stacking energy: -240.992
Base-Backbone interact. energy: -1.582
local terms energy: -302.365799
where:
bonds (distance) C4'-P energy: -72.603
bonds (distance) P-C4' energy: -69.471
flat angles C4'-P-C4' energy: -60.767
flat angles P-C4'-P energy: -46.426
tors. eta vs tors. theta energy: -53.099
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: 8
=====================================
Write number: 420
Temperature: 1.300000
Total energy: -724.500165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -724.500165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -724.500165 (E_RNA)
where:
Base-Base interactions energy: -456.923
where: short stacking energy: -222.414
Base-Backbone interact. energy: -1.802
local terms energy: -265.775940
where:
bonds (distance) C4'-P energy: -49.978
bonds (distance) P-C4' energy: -71.756
flat angles C4'-P-C4' energy: -48.013
flat angles P-C4'-P energy: -45.180
tors. eta vs tors. theta energy: -50.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 420
Temperature: 1.350000
Total energy: -415.953149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.953149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.953149 (E_RNA)
where:
Base-Base interactions energy: -198.080
where: short stacking energy: -106.086
Base-Backbone interact. energy: 5.446
local terms energy: -223.319223
where:
bonds (distance) C4'-P energy: -57.424
bonds (distance) P-C4' energy: -70.191
flat angles C4'-P-C4' energy: -67.895
flat angles P-C4'-P energy: -29.909
tors. eta vs tors. theta energy: 2.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 421
Temperature: 0.900000
Total energy: -1392.977809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1392.977809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1392.977809 (E_RNA)
where:
Base-Base interactions energy: -973.636
where: short stacking energy: -405.178
Base-Backbone interact. energy: -0.614
local terms energy: -418.727429
where:
bonds (distance) C4'-P energy: -80.915
bonds (distance) P-C4' energy: -77.181
flat angles C4'-P-C4' energy: -89.311
flat angles P-C4'-P energy: -59.160
tors. eta vs tors. theta energy: -112.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 421
Temperature: 0.950000
Total energy: -1356.557091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1356.557091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1356.557091 (E_RNA)
where:
Base-Base interactions energy: -955.020
where: short stacking energy: -383.228
Base-Backbone interact. energy: -3.160
local terms energy: -398.377556
where:
bonds (distance) C4'-P energy: -66.658
bonds (distance) P-C4' energy: -75.228
flat angles C4'-P-C4' energy: -82.317
flat angles P-C4'-P energy: -66.848
tors. eta vs tors. theta energy: -107.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 421
Temperature: 1.000000
Total energy: -1280.382009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1280.382009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1280.382009 (E_RNA)
where:
Base-Base interactions energy: -879.140
where: short stacking energy: -377.564
Base-Backbone interact. energy: -2.114
local terms energy: -399.128459
where:
bonds (distance) C4'-P energy: -74.565
bonds (distance) P-C4' energy: -70.987
flat angles C4'-P-C4' energy: -86.634
flat angles P-C4'-P energy: -58.484
tors. eta vs tors. theta energy: -108.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 421
Temperature: 1.050000
Total energy: -1200.010702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1200.010702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1200.010702 (E_RNA)
where:
Base-Base interactions energy: -815.713
where: short stacking energy: -333.424
Base-Backbone interact. energy: -1.962
local terms energy: -382.336342
where:
bonds (distance) C4'-P energy: -74.451
bonds (distance) P-C4' energy: -76.763
flat angles C4'-P-C4' energy: -86.061
flat angles P-C4'-P energy: -52.252
tors. eta vs tors. theta energy: -92.809
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: 9
=====================================
Write number: 421
Temperature: 1.100000
Total energy: -1164.551797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1164.551797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1164.551797 (E_RNA)
where:
Base-Base interactions energy: -785.184
where: short stacking energy: -350.601
Base-Backbone interact. energy: -2.539
local terms energy: -377.047563
where:
bonds (distance) C4'-P energy: -73.635
bonds (distance) P-C4' energy: -65.629
flat angles C4'-P-C4' energy: -91.115
flat angles P-C4'-P energy: -50.988
tors. eta vs tors. theta energy: -95.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.219 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 421
Temperature: 1.150000
Total energy: -1050.225628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1050.225628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1050.225628 (E_RNA)
where:
Base-Base interactions energy: -690.311
where: short stacking energy: -315.255
Base-Backbone interact. energy: -0.823
local terms energy: -359.091335
where:
bonds (distance) C4'-P energy: -60.542
bonds (distance) P-C4' energy: -70.843
flat angles C4'-P-C4' energy: -85.503
flat angles P-C4'-P energy: -55.475
tors. eta vs tors. theta energy: -86.728
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: 10
=====================================
Write number: 421
Temperature: 1.200000
Total energy: -962.745521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -962.745521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -962.745521 (E_RNA)
where:
Base-Base interactions energy: -668.451
where: short stacking energy: -287.448
Base-Backbone interact. energy: 1.630
local terms energy: -295.924643
where:
bonds (distance) C4'-P energy: -59.934
bonds (distance) P-C4' energy: -75.388
flat angles C4'-P-C4' energy: -60.859
flat angles P-C4'-P energy: -38.374
tors. eta vs tors. theta energy: -61.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 421
Temperature: 1.250000
Total energy: -847.654947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -847.654947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -847.654947 (E_RNA)
where:
Base-Base interactions energy: -536.000
where: short stacking energy: -257.338
Base-Backbone interact. energy: -0.895
local terms energy: -310.760183
where:
bonds (distance) C4'-P energy: -71.101
bonds (distance) P-C4' energy: -62.759
flat angles C4'-P-C4' energy: -79.865
flat angles P-C4'-P energy: -45.744
tors. eta vs tors. theta energy: -51.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 421
Temperature: 1.300000
Total energy: -651.666158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -651.666158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -651.666158 (E_RNA)
where:
Base-Base interactions energy: -366.972
where: short stacking energy: -179.846
Base-Backbone interact. energy: -0.648
local terms energy: -284.045964
where:
bonds (distance) C4'-P energy: -63.839
bonds (distance) P-C4' energy: -75.183
flat angles C4'-P-C4' energy: -67.202
flat angles P-C4'-P energy: -38.649
tors. eta vs tors. theta energy: -39.174
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: 6
=====================================
Write number: 421
Temperature: 1.350000
Total energy: -461.161814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.161814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.161814 (E_RNA)
where:
Base-Base interactions energy: -228.550
where: short stacking energy: -115.800
Base-Backbone interact. energy: 1.739
local terms energy: -234.350034
where:
bonds (distance) C4'-P energy: -67.123
bonds (distance) P-C4' energy: -78.878
flat angles C4'-P-C4' energy: -57.557
flat angles P-C4'-P energy: -43.620
tors. eta vs tors. theta energy: 12.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 422
Temperature: 0.900000
Total energy: -1409.299979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1409.299979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1409.299979 (E_RNA)
where:
Base-Base interactions energy: -972.957
where: short stacking energy: -406.609
Base-Backbone interact. energy: -0.684
local terms energy: -435.659208
where:
bonds (distance) C4'-P energy: -82.370
bonds (distance) P-C4' energy: -73.069
flat angles C4'-P-C4' energy: -88.500
flat angles P-C4'-P energy: -69.315
tors. eta vs tors. theta energy: -122.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 422
Temperature: 0.950000
Total energy: -1339.060728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1339.060728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1339.060728 (E_RNA)
where:
Base-Base interactions energy: -934.643
where: short stacking energy: -388.934
Base-Backbone interact. energy: -3.670
local terms energy: -400.747747
where:
bonds (distance) C4'-P energy: -69.394
bonds (distance) P-C4' energy: -81.811
flat angles C4'-P-C4' energy: -80.060
flat angles P-C4'-P energy: -54.043
tors. eta vs tors. theta energy: -115.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 422
Temperature: 1.000000
Total energy: -1281.937711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1281.937711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1281.937711 (E_RNA)
where:
Base-Base interactions energy: -892.093
where: short stacking energy: -383.328
Base-Backbone interact. energy: 0.574
local terms energy: -390.418923
where:
bonds (distance) C4'-P energy: -70.351
bonds (distance) P-C4' energy: -71.601
flat angles C4'-P-C4' energy: -82.974
flat angles P-C4'-P energy: -55.573
tors. eta vs tors. theta energy: -109.920
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: 4
=====================================
Write number: 422
Temperature: 1.050000
Total energy: -1188.277436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1188.277436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1188.277436 (E_RNA)
where:
Base-Base interactions energy: -822.874
where: short stacking energy: -354.500
Base-Backbone interact. energy: -2.447
local terms energy: -362.956735
where:
bonds (distance) C4'-P energy: -64.222
bonds (distance) P-C4' energy: -65.103
flat angles C4'-P-C4' energy: -90.070
flat angles P-C4'-P energy: -43.476
tors. eta vs tors. theta energy: -100.086
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: 9
=====================================
Write number: 422
Temperature: 1.100000
Total energy: -1124.980344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1124.980344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1124.980344 (E_RNA)
where:
Base-Base interactions energy: -801.983
where: short stacking energy: -343.435
Base-Backbone interact. energy: 7.794
local terms energy: -330.790680
where:
bonds (distance) C4'-P energy: -67.289
bonds (distance) P-C4' energy: -64.286
flat angles C4'-P-C4' energy: -68.540
flat angles P-C4'-P energy: -48.783
tors. eta vs tors. theta energy: -81.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 422
Temperature: 1.150000
Total energy: -1034.974236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1034.974236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1034.974236 (E_RNA)
where:
Base-Base interactions energy: -688.997
where: short stacking energy: -303.041
Base-Backbone interact. energy: -1.632
local terms energy: -345.285097
where:
bonds (distance) C4'-P energy: -51.589
bonds (distance) P-C4' energy: -74.759
flat angles C4'-P-C4' energy: -74.780
flat angles P-C4'-P energy: -56.497
tors. eta vs tors. theta energy: -87.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.939 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 422
Temperature: 1.200000
Total energy: -973.654460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -973.654460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -973.654460 (E_RNA)
where:
Base-Base interactions energy: -645.572
where: short stacking energy: -295.647
Base-Backbone interact. energy: -1.339
local terms energy: -326.743559
where:
bonds (distance) C4'-P energy: -58.760
bonds (distance) P-C4' energy: -72.429
flat angles C4'-P-C4' energy: -63.309
flat angles P-C4'-P energy: -56.529
tors. eta vs tors. theta energy: -75.716
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: 422
Temperature: 1.250000
Total energy: -882.212928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -882.212928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -882.212928 (E_RNA)
where:
Base-Base interactions energy: -591.721
where: short stacking energy: -261.321
Base-Backbone interact. energy: 4.031
local terms energy: -294.522844
where:
bonds (distance) C4'-P energy: -64.091
bonds (distance) P-C4' energy: -73.901
flat angles C4'-P-C4' energy: -68.428
flat angles P-C4'-P energy: -40.997
tors. eta vs tors. theta energy: -47.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 422
Temperature: 1.300000
Total energy: -662.854472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -662.854472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -662.854472 (E_RNA)
where:
Base-Base interactions energy: -384.026
where: short stacking energy: -190.210
Base-Backbone interact. energy: -2.761
local terms energy: -276.067749
where:
bonds (distance) C4'-P energy: -67.472
bonds (distance) P-C4' energy: -51.979
flat angles C4'-P-C4' energy: -75.759
flat angles P-C4'-P energy: -43.209
tors. eta vs tors. theta energy: -37.648
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: 10, replica: 6
=====================================
Write number: 422
Temperature: 1.350000
Total energy: -438.502888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.502888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.502888 (E_RNA)
where:
Base-Base interactions energy: -244.627
where: short stacking energy: -113.293
Base-Backbone interact. energy: -0.908
local terms energy: -192.967967
where:
bonds (distance) C4'-P energy: -61.721
bonds (distance) P-C4' energy: -67.659
flat angles C4'-P-C4' energy: -53.188
flat angles P-C4'-P energy: -22.285
tors. eta vs tors. theta energy: 11.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 423
Temperature: 0.900000
Total energy: -1392.686515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1392.686515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1392.686515 (E_RNA)
where:
Base-Base interactions energy: -984.357
where: short stacking energy: -410.486
Base-Backbone interact. energy: -0.519
local terms energy: -407.810042
where:
bonds (distance) C4'-P energy: -76.452
bonds (distance) P-C4' energy: -72.191
flat angles C4'-P-C4' energy: -83.200
flat angles P-C4'-P energy: -59.474
tors. eta vs tors. theta energy: -116.493
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: 5
=====================================
Write number: 423
Temperature: 0.950000
Total energy: -1341.576540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1341.576540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1341.576540 (E_RNA)
where:
Base-Base interactions energy: -946.176
where: short stacking energy: -382.184
Base-Backbone interact. energy: -2.346
local terms energy: -393.054816
where:
bonds (distance) C4'-P energy: -79.016
bonds (distance) P-C4' energy: -62.549
flat angles C4'-P-C4' energy: -84.397
flat angles P-C4'-P energy: -57.824
tors. eta vs tors. theta energy: -109.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 423
Temperature: 1.000000
Total energy: -1282.789411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1282.789411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1282.789411 (E_RNA)
where:
Base-Base interactions energy: -874.974
where: short stacking energy: -369.901
Base-Backbone interact. energy: -2.275
local terms energy: -405.539929
where:
bonds (distance) C4'-P energy: -76.855
bonds (distance) P-C4' energy: -77.580
flat angles C4'-P-C4' energy: -82.216
flat angles P-C4'-P energy: -62.561
tors. eta vs tors. theta energy: -106.328
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: 4, replica: 4
=====================================
Write number: 423
Temperature: 1.050000
Total energy: -1231.079896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1231.079896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1231.079896 (E_RNA)
where:
Base-Base interactions energy: -867.243
where: short stacking energy: -364.273
Base-Backbone interact. energy: -0.939
local terms energy: -362.897718
where:
bonds (distance) C4'-P energy: -65.363
bonds (distance) P-C4' energy: -68.293
flat angles C4'-P-C4' energy: -81.162
flat angles P-C4'-P energy: -53.964
tors. eta vs tors. theta energy: -94.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 423
Temperature: 1.100000
Total energy: -1135.451534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1135.451534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1135.451534 (E_RNA)
where:
Base-Base interactions energy: -770.127
where: short stacking energy: -330.948
Base-Backbone interact. energy: 3.008
local terms energy: -368.332318
where:
bonds (distance) C4'-P energy: -72.597
bonds (distance) P-C4' energy: -74.684
flat angles C4'-P-C4' energy: -86.592
flat angles P-C4'-P energy: -58.494
tors. eta vs tors. theta energy: -75.966
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: 1
=====================================
Write number: 423
Temperature: 1.150000
Total energy: -1065.740991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1065.740991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1065.740991 (E_RNA)
where:
Base-Base interactions energy: -717.995
where: short stacking energy: -315.789
Base-Backbone interact. energy: -0.397
local terms energy: -347.349132
where:
bonds (distance) C4'-P energy: -66.183
bonds (distance) P-C4' energy: -58.889
flat angles C4'-P-C4' energy: -82.810
flat angles P-C4'-P energy: -57.020
tors. eta vs tors. theta energy: -82.447
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: 10
=====================================
Write number: 423
Temperature: 1.200000
Total energy: -944.868988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -944.868988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -944.868988 (E_RNA)
where:
Base-Base interactions energy: -645.615
where: short stacking energy: -281.256
Base-Backbone interact. energy: 4.492
local terms energy: -303.746523
where:
bonds (distance) C4'-P energy: -80.109
bonds (distance) P-C4' energy: -58.257
flat angles C4'-P-C4' energy: -68.848
flat angles P-C4'-P energy: -34.650
tors. eta vs tors. theta energy: -61.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 423
Temperature: 1.250000
Total energy: -880.244724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -880.244724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -880.244724 (E_RNA)
where:
Base-Base interactions energy: -566.272
where: short stacking energy: -255.031
Base-Backbone interact. energy: -0.079
local terms energy: -313.894406
where:
bonds (distance) C4'-P energy: -70.920
bonds (distance) P-C4' energy: -70.500
flat angles C4'-P-C4' energy: -77.825
flat angles P-C4'-P energy: -35.326
tors. eta vs tors. theta energy: -59.323
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: 8
=====================================
Write number: 423
Temperature: 1.300000
Total energy: -672.555825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -672.555825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -672.555825 (E_RNA)
where:
Base-Base interactions energy: -416.469
where: short stacking energy: -208.807
Base-Backbone interact. energy: 1.383
local terms energy: -257.469529
where:
bonds (distance) C4'-P energy: -58.433
bonds (distance) P-C4' energy: -64.169
flat angles C4'-P-C4' energy: -51.929
flat angles P-C4'-P energy: -45.525
tors. eta vs tors. theta energy: -37.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 423
Temperature: 1.350000
Total energy: -453.266061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.266061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.266061 (E_RNA)
where:
Base-Base interactions energy: -220.193
where: short stacking energy: -123.867
Base-Backbone interact. energy: 5.194
local terms energy: -238.266507
where:
bonds (distance) C4'-P energy: -70.071
bonds (distance) P-C4' energy: -62.497
flat angles C4'-P-C4' energy: -63.754
flat angles P-C4'-P energy: -35.422
tors. eta vs tors. theta energy: -6.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 424
Temperature: 0.900000
Total energy: -1366.540235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1366.540235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1366.540235 (E_RNA)
where:
Base-Base interactions energy: -942.478
where: short stacking energy: -394.686
Base-Backbone interact. energy: -2.631
local terms energy: -421.431289
where:
bonds (distance) C4'-P energy: -82.677
bonds (distance) P-C4' energy: -73.926
flat angles C4'-P-C4' energy: -88.006
flat angles P-C4'-P energy: -55.586
tors. eta vs tors. theta energy: -121.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 424
Temperature: 0.950000
Total energy: -1347.511244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1347.511244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1347.511244 (E_RNA)
where:
Base-Base interactions energy: -962.001
where: short stacking energy: -377.627
Base-Backbone interact. energy: -0.041
local terms energy: -385.468532
where:
bonds (distance) C4'-P energy: -80.192
bonds (distance) P-C4' energy: -79.631
flat angles C4'-P-C4' energy: -83.145
flat angles P-C4'-P energy: -42.933
tors. eta vs tors. theta energy: -99.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 424
Temperature: 1.000000
Total energy: -1275.602195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1275.602195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1275.602195 (E_RNA)
where:
Base-Base interactions energy: -884.135
where: short stacking energy: -392.398
Base-Backbone interact. energy: -1.281
local terms energy: -390.186847
where:
bonds (distance) C4'-P energy: -63.518
bonds (distance) P-C4' energy: -73.178
flat angles C4'-P-C4' energy: -87.968
flat angles P-C4'-P energy: -55.359
tors. eta vs tors. theta energy: -110.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 424
Temperature: 1.050000
Total energy: -1235.745194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1235.745194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1235.745194 (E_RNA)
where:
Base-Base interactions energy: -858.205
where: short stacking energy: -352.492
Base-Backbone interact. energy: -0.358
local terms energy: -377.181765
where:
bonds (distance) C4'-P energy: -71.355
bonds (distance) P-C4' energy: -74.360
flat angles C4'-P-C4' energy: -75.176
flat angles P-C4'-P energy: -58.574
tors. eta vs tors. theta energy: -97.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 424
Temperature: 1.100000
Total energy: -1144.580230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1144.580230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1144.580230 (E_RNA)
where:
Base-Base interactions energy: -762.477
where: short stacking energy: -335.367
Base-Backbone interact. energy: -2.206
local terms energy: -379.897287
where:
bonds (distance) C4'-P energy: -63.217
bonds (distance) P-C4' energy: -83.055
flat angles C4'-P-C4' energy: -87.798
flat angles P-C4'-P energy: -58.979
tors. eta vs tors. theta energy: -86.849
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: 1
=====================================
Write number: 424
Temperature: 1.150000
Total energy: -1076.931205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1076.931205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1076.931205 (E_RNA)
where:
Base-Base interactions energy: -712.329
where: short stacking energy: -321.831
Base-Backbone interact. energy: -0.601
local terms energy: -365.184932
where:
bonds (distance) C4'-P energy: -71.922
bonds (distance) P-C4' energy: -60.400
flat angles C4'-P-C4' energy: -89.994
flat angles P-C4'-P energy: -49.079
tors. eta vs tors. theta energy: -93.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.184 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 424
Temperature: 1.200000
Total energy: -938.628570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -938.628570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -938.628570 (E_RNA)
where:
Base-Base interactions energy: -647.399
where: short stacking energy: -273.148
Base-Backbone interact. energy: 3.490
local terms energy: -294.720360
where:
bonds (distance) C4'-P energy: -65.682
bonds (distance) P-C4' energy: -55.980
flat angles C4'-P-C4' energy: -75.504
flat angles P-C4'-P energy: -39.442
tors. eta vs tors. theta energy: -58.113
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: 8, replica: 2
=====================================
Write number: 424
Temperature: 1.250000
Total energy: -892.859735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -892.859735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -892.859735 (E_RNA)
where:
Base-Base interactions energy: -566.565
where: short stacking energy: -239.322
Base-Backbone interact. energy: 0.690
local terms energy: -326.984980
where:
bonds (distance) C4'-P energy: -65.765
bonds (distance) P-C4' energy: -68.049
flat angles C4'-P-C4' energy: -79.349
flat angles P-C4'-P energy: -50.488
tors. eta vs tors. theta energy: -63.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 424
Temperature: 1.300000
Total energy: -645.468247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -645.468247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -645.468247 (E_RNA)
where:
Base-Base interactions energy: -379.279
where: short stacking energy: -183.238
Base-Backbone interact. energy: -0.617
local terms energy: -265.572029
where:
bonds (distance) C4'-P energy: -64.949
bonds (distance) P-C4' energy: -67.291
flat angles C4'-P-C4' energy: -67.541
flat angles P-C4'-P energy: -27.013
tors. eta vs tors. theta energy: -38.778
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: 6
=====================================
Write number: 424
Temperature: 1.350000
Total energy: -510.896264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.896264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.896264 (E_RNA)
where:
Base-Base interactions energy: -279.421
where: short stacking energy: -158.610
Base-Backbone interact. energy: -1.025
local terms energy: -230.450468
where:
bonds (distance) C4'-P energy: -69.212
bonds (distance) P-C4' energy: -63.733
flat angles C4'-P-C4' energy: -63.791
flat angles P-C4'-P energy: -28.656
tors. eta vs tors. theta energy: -5.058
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: 5
=====================================
Write number: 425
Temperature: 0.900000
Total energy: -1384.386092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1384.386092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1384.386092 (E_RNA)
where:
Base-Base interactions energy: -985.912
where: short stacking energy: -403.820
Base-Backbone interact. energy: -0.872
local terms energy: -397.602159
where:
bonds (distance) C4'-P energy: -63.812
bonds (distance) P-C4' energy: -78.255
flat angles C4'-P-C4' energy: -82.719
flat angles P-C4'-P energy: -54.476
tors. eta vs tors. theta energy: -118.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 425
Temperature: 0.950000
Total energy: -1369.905369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1369.905369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1369.905369 (E_RNA)
where:
Base-Base interactions energy: -953.711
where: short stacking energy: -401.014
Base-Backbone interact. energy: -0.504
local terms energy: -415.689851
where:
bonds (distance) C4'-P energy: -80.425
bonds (distance) P-C4' energy: -69.815
flat angles C4'-P-C4' energy: -91.556
flat angles P-C4'-P energy: -59.291
tors. eta vs tors. theta energy: -114.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 425
Temperature: 1.000000
Total energy: -1293.524044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1293.524044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1293.524044 (E_RNA)
where:
Base-Base interactions energy: -880.184
where: short stacking energy: -393.386
Base-Backbone interact. energy: -1.903
local terms energy: -411.436779
where:
bonds (distance) C4'-P energy: -59.044
bonds (distance) P-C4' energy: -81.936
flat angles C4'-P-C4' energy: -91.669
flat angles P-C4'-P energy: -62.537
tors. eta vs tors. theta energy: -116.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 425
Temperature: 1.050000
Total energy: -1226.743279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1226.743279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1226.743279 (E_RNA)
where:
Base-Base interactions energy: -860.853
where: short stacking energy: -355.004
Base-Backbone interact. energy: -1.914
local terms energy: -363.976746
where:
bonds (distance) C4'-P energy: -66.447
bonds (distance) P-C4' energy: -79.520
flat angles C4'-P-C4' energy: -81.065
flat angles P-C4'-P energy: -45.886
tors. eta vs tors. theta energy: -91.059
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: 9
=====================================
Write number: 425
Temperature: 1.100000
Total energy: -1154.867671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1154.867671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1154.867671 (E_RNA)
where:
Base-Base interactions energy: -791.146
where: short stacking energy: -354.567
Base-Backbone interact. energy: -1.446
local terms energy: -362.275559
where:
bonds (distance) C4'-P energy: -51.332
bonds (distance) P-C4' energy: -66.380
flat angles C4'-P-C4' energy: -88.767
flat angles P-C4'-P energy: -48.464
tors. eta vs tors. theta energy: -107.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 425
Temperature: 1.150000
Total energy: -1067.127315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1067.127315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1067.127315 (E_RNA)
where:
Base-Base interactions energy: -733.878
where: short stacking energy: -333.432
Base-Backbone interact. energy: -0.949
local terms energy: -332.487530
where:
bonds (distance) C4'-P energy: -60.734
bonds (distance) P-C4' energy: -68.153
flat angles C4'-P-C4' energy: -72.089
flat angles P-C4'-P energy: -43.620
tors. eta vs tors. theta energy: -87.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.188 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 425
Temperature: 1.200000
Total energy: -930.829505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -930.829505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -930.829505 (E_RNA)
where:
Base-Base interactions energy: -642.588
where: short stacking energy: -292.619
Base-Backbone interact. energy: -1.437
local terms energy: -286.804441
where:
bonds (distance) C4'-P energy: -54.901
bonds (distance) P-C4' energy: -62.011
flat angles C4'-P-C4' energy: -64.747
flat angles P-C4'-P energy: -34.110
tors. eta vs tors. theta energy: -71.036
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: 8, replica: 2
=====================================
Write number: 425
Temperature: 1.250000
Total energy: -849.396796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -849.396796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -849.396796 (E_RNA)
where:
Base-Base interactions energy: -543.821
where: short stacking energy: -236.477
Base-Backbone interact. energy: -1.728
local terms energy: -303.847619
where:
bonds (distance) C4'-P energy: -61.998
bonds (distance) P-C4' energy: -84.189
flat angles C4'-P-C4' energy: -67.498
flat angles P-C4'-P energy: -43.686
tors. eta vs tors. theta energy: -46.478
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: 8
=====================================
Write number: 425
Temperature: 1.300000
Total energy: -648.460448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -648.460448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -648.460448 (E_RNA)
where:
Base-Base interactions energy: -386.512
where: short stacking energy: -182.761
Base-Backbone interact. energy: 1.880
local terms energy: -263.828417
where:
bonds (distance) C4'-P energy: -68.350
bonds (distance) P-C4' energy: -65.208
flat angles C4'-P-C4' energy: -57.029
flat angles P-C4'-P energy: -42.255
tors. eta vs tors. theta energy: -30.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 425
Temperature: 1.350000
Total energy: -460.771418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.771418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.771418 (E_RNA)
where:
Base-Base interactions energy: -243.801
where: short stacking energy: -124.735
Base-Backbone interact. energy: 2.103
local terms energy: -220.089108
where:
bonds (distance) C4'-P energy: -52.562
bonds (distance) P-C4' energy: -66.277
flat angles C4'-P-C4' energy: -66.750
flat angles P-C4'-P energy: -31.519
tors. eta vs tors. theta energy: -2.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.015 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 426
Temperature: 0.900000
Total energy: -1392.233392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1392.233392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1392.233392 (E_RNA)
where:
Base-Base interactions energy: -971.302
where: short stacking energy: -407.184
Base-Backbone interact. energy: -1.674
local terms energy: -419.258147
where:
bonds (distance) C4'-P energy: -66.167
bonds (distance) P-C4' energy: -83.369
flat angles C4'-P-C4' energy: -87.526
flat angles P-C4'-P energy: -56.476
tors. eta vs tors. theta energy: -125.721
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: 7
=====================================
Write number: 426
Temperature: 0.950000
Total energy: -1369.907755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1369.907755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1369.907755 (E_RNA)
where:
Base-Base interactions energy: -946.086
where: short stacking energy: -389.954
Base-Backbone interact. energy: -1.064
local terms energy: -422.758295
where:
bonds (distance) C4'-P energy: -79.488
bonds (distance) P-C4' energy: -75.350
flat angles C4'-P-C4' energy: -91.100
flat angles P-C4'-P energy: -59.591
tors. eta vs tors. theta energy: -117.229
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: 3
=====================================
Write number: 426
Temperature: 1.000000
Total energy: -1300.075447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1300.075447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1300.075447 (E_RNA)
where:
Base-Base interactions energy: -896.434
where: short stacking energy: -395.717
Base-Backbone interact. energy: 0.664
local terms energy: -404.306012
where:
bonds (distance) C4'-P energy: -73.441
bonds (distance) P-C4' energy: -79.709
flat angles C4'-P-C4' energy: -83.016
flat angles P-C4'-P energy: -47.159
tors. eta vs tors. theta energy: -120.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 426
Temperature: 1.050000
Total energy: -1232.149523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1232.149523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1232.149523 (E_RNA)
where:
Base-Base interactions energy: -850.022
where: short stacking energy: -365.294
Base-Backbone interact. energy: -4.150
local terms energy: -377.977511
where:
bonds (distance) C4'-P energy: -78.786
bonds (distance) P-C4' energy: -66.282
flat angles C4'-P-C4' energy: -81.642
flat angles P-C4'-P energy: -48.849
tors. eta vs tors. theta energy: -102.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 426
Temperature: 1.100000
Total energy: -1111.131277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1111.131277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1111.131277 (E_RNA)
where:
Base-Base interactions energy: -769.995
where: short stacking energy: -335.257
Base-Backbone interact. energy: -1.592
local terms energy: -339.543994
where:
bonds (distance) C4'-P energy: -63.160
bonds (distance) P-C4' energy: -72.885
flat angles C4'-P-C4' energy: -76.943
flat angles P-C4'-P energy: -44.893
tors. eta vs tors. theta energy: -81.663
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: 1
=====================================
Write number: 426
Temperature: 1.150000
Total energy: -1056.680610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1056.680610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1056.680610 (E_RNA)
where:
Base-Base interactions energy: -696.987
where: short stacking energy: -307.768
Base-Backbone interact. energy: -0.460
local terms energy: -359.233806
where:
bonds (distance) C4'-P energy: -74.325
bonds (distance) P-C4' energy: -71.197
flat angles C4'-P-C4' energy: -73.443
flat angles P-C4'-P energy: -53.654
tors. eta vs tors. theta energy: -86.614
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: 2
=====================================
Write number: 426
Temperature: 1.200000
Total energy: -901.644193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -901.644193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -901.644193 (E_RNA)
where:
Base-Base interactions energy: -587.460
where: short stacking energy: -270.919
Base-Backbone interact. energy: -1.753
local terms energy: -312.431418
where:
bonds (distance) C4'-P energy: -67.478
bonds (distance) P-C4' energy: -70.138
flat angles C4'-P-C4' energy: -77.038
flat angles P-C4'-P energy: -47.951
tors. eta vs tors. theta energy: -49.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 426
Temperature: 1.250000
Total energy: -911.842551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -911.842551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -911.842551 (E_RNA)
where:
Base-Base interactions energy: -606.593
where: short stacking energy: -265.316
Base-Backbone interact. energy: -2.896
local terms energy: -302.353444
where:
bonds (distance) C4'-P energy: -53.334
bonds (distance) P-C4' energy: -68.117
flat angles C4'-P-C4' energy: -63.167
flat angles P-C4'-P energy: -50.212
tors. eta vs tors. theta energy: -67.523
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: 8
=====================================
Write number: 426
Temperature: 1.300000
Total energy: -629.774878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -629.774878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -629.774878 (E_RNA)
where:
Base-Base interactions energy: -379.911
where: short stacking energy: -192.348
Base-Backbone interact. energy: -2.050
local terms energy: -247.814182
where:
bonds (distance) C4'-P energy: -43.619
bonds (distance) P-C4' energy: -71.275
flat angles C4'-P-C4' energy: -62.395
flat angles P-C4'-P energy: -41.449
tors. eta vs tors. theta energy: -29.076
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: 6
=====================================
Write number: 426
Temperature: 1.350000
Total energy: -443.896963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.896963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.896963 (E_RNA)
where:
Base-Base interactions energy: -213.997
where: short stacking energy: -133.796
Base-Backbone interact. energy: 0.710
local terms energy: -230.610496
where:
bonds (distance) C4'-P energy: -67.526
bonds (distance) P-C4' energy: -75.103
flat angles C4'-P-C4' energy: -45.914
flat angles P-C4'-P energy: -31.867
tors. eta vs tors. theta energy: -10.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 427
Temperature: 0.900000
Total energy: -1371.025161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1371.025161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1371.025161 (E_RNA)
where:
Base-Base interactions energy: -953.750
where: short stacking energy: -393.018
Base-Backbone interact. energy: -2.972
local terms energy: -414.303513
where:
bonds (distance) C4'-P energy: -86.237
bonds (distance) P-C4' energy: -67.640
flat angles C4'-P-C4' energy: -85.185
flat angles P-C4'-P energy: -55.268
tors. eta vs tors. theta energy: -119.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 427
Temperature: 0.950000
Total energy: -1386.226080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1386.226080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1386.226080 (E_RNA)
where:
Base-Base interactions energy: -952.456
where: short stacking energy: -401.629
Base-Backbone interact. energy: 3.488
local terms energy: -437.258832
where:
bonds (distance) C4'-P energy: -77.618
bonds (distance) P-C4' energy: -85.975
flat angles C4'-P-C4' energy: -89.704
flat angles P-C4'-P energy: -66.471
tors. eta vs tors. theta energy: -117.491
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: 427
Temperature: 1.000000
Total energy: -1290.885475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1290.885475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1290.885475 (E_RNA)
where:
Base-Base interactions energy: -891.480
where: short stacking energy: -388.032
Base-Backbone interact. energy: -0.837
local terms energy: -398.569072
where:
bonds (distance) C4'-P energy: -70.609
bonds (distance) P-C4' energy: -76.599
flat angles C4'-P-C4' energy: -87.645
flat angles P-C4'-P energy: -53.063
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: 4, replica: 4
=====================================
Write number: 427
Temperature: 1.050000
Total energy: -1225.759724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1225.759724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1225.759724 (E_RNA)
where:
Base-Base interactions energy: -850.648
where: short stacking energy: -337.445
Base-Backbone interact. energy: -1.067
local terms energy: -374.043814
where:
bonds (distance) C4'-P energy: -76.720
bonds (distance) P-C4' energy: -72.197
flat angles C4'-P-C4' energy: -77.542
flat angles P-C4'-P energy: -63.047
tors. eta vs tors. theta energy: -84.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 427
Temperature: 1.100000
Total energy: -1120.496211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1120.496211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1120.496211 (E_RNA)
where:
Base-Base interactions energy: -754.158
where: short stacking energy: -312.195
Base-Backbone interact. energy: -0.209
local terms energy: -366.129910
where:
bonds (distance) C4'-P energy: -75.101
bonds (distance) P-C4' energy: -84.251
flat angles C4'-P-C4' energy: -79.266
flat angles P-C4'-P energy: -47.937
tors. eta vs tors. theta energy: -79.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 427
Temperature: 1.150000
Total energy: -1082.533140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1082.533140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1082.533140 (E_RNA)
where:
Base-Base interactions energy: -713.903
where: short stacking energy: -327.634
Base-Backbone interact. energy: -0.686
local terms energy: -367.945108
where:
bonds (distance) C4'-P energy: -57.435
bonds (distance) P-C4' energy: -82.616
flat angles C4'-P-C4' energy: -78.526
flat angles P-C4'-P energy: -53.888
tors. eta vs tors. theta energy: -95.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 427
Temperature: 1.200000
Total energy: -864.323074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -864.323074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -864.323074 (E_RNA)
where:
Base-Base interactions energy: -577.522
where: short stacking energy: -238.753
Base-Backbone interact. energy: -1.575
local terms energy: -285.226423
where:
bonds (distance) C4'-P energy: -59.559
bonds (distance) P-C4' energy: -78.728
flat angles C4'-P-C4' energy: -68.536
flat angles P-C4'-P energy: -34.065
tors. eta vs tors. theta energy: -44.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 427
Temperature: 1.250000
Total energy: -888.868777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -888.868777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -888.868777 (E_RNA)
where:
Base-Base interactions energy: -605.577
where: short stacking energy: -262.483
Base-Backbone interact. energy: -2.840
local terms energy: -280.452042
where:
bonds (distance) C4'-P energy: -52.966
bonds (distance) P-C4' energy: -66.078
flat angles C4'-P-C4' energy: -64.457
flat angles P-C4'-P energy: -43.767
tors. eta vs tors. theta energy: -53.183
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: 8
=====================================
Write number: 427
Temperature: 1.300000
Total energy: -652.518697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -652.518697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -652.518697 (E_RNA)
where:
Base-Base interactions energy: -403.632
where: short stacking energy: -194.316
Base-Backbone interact. energy: 0.558
local terms energy: -249.445084
where:
bonds (distance) C4'-P energy: -53.435
bonds (distance) P-C4' energy: -68.166
flat angles C4'-P-C4' energy: -54.614
flat angles P-C4'-P energy: -44.231
tors. eta vs tors. theta energy: -29.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 427
Temperature: 1.350000
Total energy: -423.603574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.603574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.603574 (E_RNA)
where:
Base-Base interactions energy: -177.423
where: short stacking energy: -109.291
Base-Backbone interact. energy: -2.036
local terms energy: -244.144484
where:
bonds (distance) C4'-P energy: -67.312
bonds (distance) P-C4' energy: -78.475
flat angles C4'-P-C4' energy: -67.445
flat angles P-C4'-P energy: -29.718
tors. eta vs tors. theta energy: -1.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 428
Temperature: 0.900000
Total energy: -1410.369406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1410.369406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1410.369406 (E_RNA)
where:
Base-Base interactions energy: -985.271
where: short stacking energy: -405.407
Base-Backbone interact. energy: -0.578
local terms energy: -424.520170
where:
bonds (distance) C4'-P energy: -79.022
bonds (distance) P-C4' energy: -77.746
flat angles C4'-P-C4' energy: -91.750
flat angles P-C4'-P energy: -55.431
tors. eta vs tors. theta energy: -120.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 428
Temperature: 0.950000
Total energy: -1337.527187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1337.527187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1337.527187 (E_RNA)
where:
Base-Base interactions energy: -952.207
where: short stacking energy: -385.928
Base-Backbone interact. energy: -3.647
local terms energy: -381.673949
where:
bonds (distance) C4'-P energy: -79.908
bonds (distance) P-C4' energy: -65.432
flat angles C4'-P-C4' energy: -70.374
flat angles P-C4'-P energy: -55.283
tors. eta vs tors. theta energy: -110.677
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: 428
Temperature: 1.000000
Total energy: -1284.726251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1284.726251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1284.726251 (E_RNA)
where:
Base-Base interactions energy: -875.203
where: short stacking energy: -381.085
Base-Backbone interact. energy: -0.604
local terms energy: -408.919784
where:
bonds (distance) C4'-P energy: -75.037
bonds (distance) P-C4' energy: -70.829
flat angles C4'-P-C4' energy: -86.346
flat angles P-C4'-P energy: -62.350
tors. eta vs tors. theta energy: -114.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 428
Temperature: 1.050000
Total energy: -1222.655134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1222.655134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1222.655134 (E_RNA)
where:
Base-Base interactions energy: -825.485
where: short stacking energy: -336.074
Base-Backbone interact. energy: -2.336
local terms energy: -394.834363
where:
bonds (distance) C4'-P energy: -76.745
bonds (distance) P-C4' energy: -78.459
flat angles C4'-P-C4' energy: -86.381
flat angles P-C4'-P energy: -65.106
tors. eta vs tors. theta energy: -88.143
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: 5, replica: 1
=====================================
Write number: 428
Temperature: 1.100000
Total energy: -1123.060401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1123.060401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1123.060401 (E_RNA)
where:
Base-Base interactions energy: -755.950
where: short stacking energy: -326.162
Base-Backbone interact. energy: -1.499
local terms energy: -365.611682
where:
bonds (distance) C4'-P energy: -70.960
bonds (distance) P-C4' energy: -66.808
flat angles C4'-P-C4' energy: -85.459
flat angles P-C4'-P energy: -52.423
tors. eta vs tors. theta energy: -89.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 428
Temperature: 1.150000
Total energy: -1063.859821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1063.859821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1063.859821 (E_RNA)
where:
Base-Base interactions energy: -742.169
where: short stacking energy: -307.823
Base-Backbone interact. energy: 3.210
local terms energy: -324.901055
where:
bonds (distance) C4'-P energy: -63.876
bonds (distance) P-C4' energy: -75.907
flat angles C4'-P-C4' energy: -64.896
flat angles P-C4'-P energy: -50.577
tors. eta vs tors. theta energy: -69.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 428
Temperature: 1.200000
Total energy: -936.350249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -936.350249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -936.350249 (E_RNA)
where:
Base-Base interactions energy: -629.658
where: short stacking energy: -272.017
Base-Backbone interact. energy: 0.292
local terms energy: -306.983660
where:
bonds (distance) C4'-P energy: -59.026
bonds (distance) P-C4' energy: -72.678
flat angles C4'-P-C4' energy: -68.484
flat angles P-C4'-P energy: -40.928
tors. eta vs tors. theta energy: -65.868
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: 428
Temperature: 1.250000
Total energy: -850.035566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -850.035566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -850.035566 (E_RNA)
where:
Base-Base interactions energy: -533.992
where: short stacking energy: -242.885
Base-Backbone interact. energy: -1.694
local terms energy: -314.349873
where:
bonds (distance) C4'-P energy: -66.459
bonds (distance) P-C4' energy: -76.561
flat angles C4'-P-C4' energy: -73.501
flat angles P-C4'-P energy: -35.866
tors. eta vs tors. theta energy: -61.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 428
Temperature: 1.300000
Total energy: -649.556518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -649.556518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -649.556518 (E_RNA)
where:
Base-Base interactions energy: -382.402
where: short stacking energy: -175.749
Base-Backbone interact. energy: -0.889
local terms energy: -266.265190
where:
bonds (distance) C4'-P energy: -69.065
bonds (distance) P-C4' energy: -68.942
flat angles C4'-P-C4' energy: -65.267
flat angles P-C4'-P energy: -37.958
tors. eta vs tors. theta energy: -25.033
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: 6
=====================================
Write number: 428
Temperature: 1.350000
Total energy: -418.327615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.327615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.327615 (E_RNA)
where:
Base-Base interactions energy: -207.473
where: short stacking energy: -120.893
Base-Backbone interact. energy: 1.609
local terms energy: -212.464146
where:
bonds (distance) C4'-P energy: -55.123
bonds (distance) P-C4' energy: -75.536
flat angles C4'-P-C4' energy: -58.022
flat angles P-C4'-P energy: -28.275
tors. eta vs tors. theta energy: 4.492
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: 1, replica: 7
=====================================
Write number: 429
Temperature: 0.900000
Total energy: -1401.546584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1401.546584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1401.546584 (E_RNA)
where:
Base-Base interactions energy: -975.098
where: short stacking energy: -401.915
Base-Backbone interact. energy: -2.226
local terms energy: -424.222861
where:
bonds (distance) C4'-P energy: -65.829
bonds (distance) P-C4' energy: -78.947
flat angles C4'-P-C4' energy: -93.734
flat angles P-C4'-P energy: -60.183
tors. eta vs tors. theta energy: -125.530
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: 5
=====================================
Write number: 429
Temperature: 0.950000
Total energy: -1334.504819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1334.504819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1334.504819 (E_RNA)
where:
Base-Base interactions energy: -931.433
where: short stacking energy: -389.507
Base-Backbone interact. energy: -1.933
local terms energy: -401.139400
where:
bonds (distance) C4'-P energy: -79.757
bonds (distance) P-C4' energy: -71.738
flat angles C4'-P-C4' energy: -77.741
flat angles P-C4'-P energy: -57.034
tors. eta vs tors. theta energy: -114.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 429
Temperature: 1.000000
Total energy: -1275.352318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1275.352318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1275.352318 (E_RNA)
where:
Base-Base interactions energy: -882.167
where: short stacking energy: -390.896
Base-Backbone interact. energy: -0.347
local terms energy: -392.838446
where:
bonds (distance) C4'-P energy: -60.701
bonds (distance) P-C4' energy: -77.761
flat angles C4'-P-C4' energy: -92.985
flat angles P-C4'-P energy: -61.485
tors. eta vs tors. theta energy: -99.907
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: 4
=====================================
Write number: 429
Temperature: 1.050000
Total energy: -1216.103190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1216.103190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1216.103190 (E_RNA)
where:
Base-Base interactions energy: -850.994
where: short stacking energy: -343.723
Base-Backbone interact. energy: -4.184
local terms energy: -360.925051
where:
bonds (distance) C4'-P energy: -65.081
bonds (distance) P-C4' energy: -80.257
flat angles C4'-P-C4' energy: -82.565
flat angles P-C4'-P energy: -45.177
tors. eta vs tors. theta energy: -87.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 429
Temperature: 1.100000
Total energy: -1121.350789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1121.350789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1121.350789 (E_RNA)
where:
Base-Base interactions energy: -754.988
where: short stacking energy: -349.165
Base-Backbone interact. energy: -1.475
local terms energy: -364.887715
where:
bonds (distance) C4'-P energy: -61.656
bonds (distance) P-C4' energy: -75.381
flat angles C4'-P-C4' energy: -72.087
flat angles P-C4'-P energy: -43.713
tors. eta vs tors. theta energy: -112.050
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: 429
Temperature: 1.150000
Total energy: -1050.645204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1050.645204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1050.645204 (E_RNA)
where:
Base-Base interactions energy: -724.954
where: short stacking energy: -297.018
Base-Backbone interact. energy: -0.306
local terms energy: -325.385049
where:
bonds (distance) C4'-P energy: -66.192
bonds (distance) P-C4' energy: -70.659
flat angles C4'-P-C4' energy: -70.013
flat angles P-C4'-P energy: -40.515
tors. eta vs tors. theta energy: -78.006
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: 10
=====================================
Write number: 429
Temperature: 1.200000
Total energy: -945.241353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -945.241353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -945.241353 (E_RNA)
where:
Base-Base interactions energy: -619.421
where: short stacking energy: -279.343
Base-Backbone interact. energy: -0.671
local terms energy: -325.150048
where:
bonds (distance) C4'-P energy: -59.715
bonds (distance) P-C4' energy: -69.307
flat angles C4'-P-C4' energy: -91.203
flat angles P-C4'-P energy: -37.949
tors. eta vs tors. theta energy: -66.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 429
Temperature: 1.250000
Total energy: -833.292201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -833.292201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -833.292201 (E_RNA)
where:
Base-Base interactions energy: -535.908
where: short stacking energy: -241.004
Base-Backbone interact. energy: -1.543
local terms energy: -295.841328
where:
bonds (distance) C4'-P energy: -63.224
bonds (distance) P-C4' energy: -67.472
flat angles C4'-P-C4' energy: -62.284
flat angles P-C4'-P energy: -47.837
tors. eta vs tors. theta energy: -55.024
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: 9, replica: 8
=====================================
Write number: 429
Temperature: 1.300000
Total energy: -729.117853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -729.117853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -729.117853 (E_RNA)
where:
Base-Base interactions energy: -457.630
where: short stacking energy: -223.125
Base-Backbone interact. energy: -1.959
local terms energy: -269.528466
where:
bonds (distance) C4'-P energy: -51.636
bonds (distance) P-C4' energy: -74.009
flat angles C4'-P-C4' energy: -48.985
flat angles P-C4'-P energy: -47.052
tors. eta vs tors. theta energy: -47.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 429
Temperature: 1.350000
Total energy: -451.145461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.145461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.145461 (E_RNA)
where:
Base-Base interactions energy: -221.595
where: short stacking energy: -148.243
Base-Backbone interact. energy: 0.719
local terms energy: -230.269518
where:
bonds (distance) C4'-P energy: -70.298
bonds (distance) P-C4' energy: -64.197
flat angles C4'-P-C4' energy: -48.838
flat angles P-C4'-P energy: -31.062
tors. eta vs tors. theta energy: -15.875
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: 7
=====================================
Write number: 430
Temperature: 0.900000
Total energy: -1424.098655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1424.098655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1424.098655 (E_RNA)
where:
Base-Base interactions energy: -985.046
where: short stacking energy: -407.225
Base-Backbone interact. energy: -1.590
local terms energy: -437.461833
where:
bonds (distance) C4'-P energy: -85.470
bonds (distance) P-C4' energy: -79.880
flat angles C4'-P-C4' energy: -95.135
flat angles P-C4'-P energy: -57.253
tors. eta vs tors. theta energy: -119.724
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: 2, replica: 5
=====================================
Write number: 430
Temperature: 0.950000
Total energy: -1365.141759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1365.141759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1365.141759 (E_RNA)
where:
Base-Base interactions energy: -961.076
where: short stacking energy: -395.725
Base-Backbone interact. energy: -3.074
local terms energy: -400.992086
where:
bonds (distance) C4'-P energy: -73.746
bonds (distance) P-C4' energy: -76.829
flat angles C4'-P-C4' energy: -77.732
flat angles P-C4'-P energy: -59.182
tors. eta vs tors. theta energy: -113.503
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: 3
=====================================
Write number: 430
Temperature: 1.000000
Total energy: -1262.546928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1262.546928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1262.546928 (E_RNA)
where:
Base-Base interactions energy: -869.627
where: short stacking energy: -382.364
Base-Backbone interact. energy: -1.448
local terms energy: -391.472055
where:
bonds (distance) C4'-P energy: -66.103
bonds (distance) P-C4' energy: -71.147
flat angles C4'-P-C4' energy: -84.986
flat angles P-C4'-P energy: -56.803
tors. eta vs tors. theta energy: -112.434
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: 4
=====================================
Write number: 430
Temperature: 1.050000
Total energy: -1216.014372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1216.014372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1216.014372 (E_RNA)
where:
Base-Base interactions energy: -860.193
where: short stacking energy: -335.263
Base-Backbone interact. energy: 3.133
local terms energy: -358.954992
where:
bonds (distance) C4'-P energy: -61.906
bonds (distance) P-C4' energy: -74.545
flat angles C4'-P-C4' energy: -81.189
flat angles P-C4'-P energy: -53.600
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: 5, replica: 1
=====================================
Write number: 430
Temperature: 1.100000
Total energy: -1121.780064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1121.780064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1121.780064 (E_RNA)
where:
Base-Base interactions energy: -734.859
where: short stacking energy: -334.378
Base-Backbone interact. energy: 0.229
local terms energy: -387.150629
where:
bonds (distance) C4'-P energy: -75.501
bonds (distance) P-C4' energy: -76.542
flat angles C4'-P-C4' energy: -78.389
flat angles P-C4'-P energy: -54.413
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: 6, replica: 9
=====================================
Write number: 430
Temperature: 1.150000
Total energy: -1080.166913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1080.166913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1080.166913 (E_RNA)
where:
Base-Base interactions energy: -717.008
where: short stacking energy: -319.377
Base-Backbone interact. energy: -1.379
local terms energy: -361.779213
where:
bonds (distance) C4'-P energy: -74.071
bonds (distance) P-C4' energy: -79.450
flat angles C4'-P-C4' energy: -80.372
flat angles P-C4'-P energy: -44.796
tors. eta vs tors. theta energy: -83.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 430
Temperature: 1.200000
Total energy: -901.794093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -901.794093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -901.794093 (E_RNA)
where:
Base-Base interactions energy: -599.769
where: short stacking energy: -251.323
Base-Backbone interact. energy: -2.646
local terms energy: -299.378958
where:
bonds (distance) C4'-P energy: -58.422
bonds (distance) P-C4' energy: -71.972
flat angles C4'-P-C4' energy: -67.061
flat angles P-C4'-P energy: -41.777
tors. eta vs tors. theta energy: -60.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 430
Temperature: 1.250000
Total energy: -869.752540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -869.752540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -869.752540 (E_RNA)
where:
Base-Base interactions energy: -578.648
where: short stacking energy: -247.450
Base-Backbone interact. energy: 0.003
local terms energy: -291.107778
where:
bonds (distance) C4'-P energy: -53.262
bonds (distance) P-C4' energy: -70.448
flat angles C4'-P-C4' energy: -70.149
flat angles P-C4'-P energy: -43.550
tors. eta vs tors. theta energy: -53.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 430
Temperature: 1.300000
Total energy: -712.624530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -712.624530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -712.624530 (E_RNA)
where:
Base-Base interactions energy: -451.938
where: short stacking energy: -208.774
Base-Backbone interact. energy: -0.802
local terms energy: -259.884066
where:
bonds (distance) C4'-P energy: -61.964
bonds (distance) P-C4' energy: -69.422
flat angles C4'-P-C4' energy: -56.919
flat angles P-C4'-P energy: -36.371
tors. eta vs tors. theta energy: -35.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 430
Temperature: 1.350000
Total energy: -442.434669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.434669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.434669 (E_RNA)
where:
Base-Base interactions energy: -221.824
where: short stacking energy: -143.002
Base-Backbone interact. energy: -1.491
local terms energy: -219.119607
where:
bonds (distance) C4'-P energy: -55.366
bonds (distance) P-C4' energy: -50.420
flat angles C4'-P-C4' energy: -50.915
flat angles P-C4'-P energy: -46.749
tors. eta vs tors. theta energy: -15.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 431
Temperature: 0.900000
Total energy: -1410.841524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1410.841524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1410.841524 (E_RNA)
where:
Base-Base interactions energy: -995.711
where: short stacking energy: -413.426
Base-Backbone interact. energy: -3.602
local terms energy: -411.528906
where:
bonds (distance) C4'-P energy: -68.861
bonds (distance) P-C4' energy: -74.714
flat angles C4'-P-C4' energy: -86.635
flat angles P-C4'-P energy: -60.419
tors. eta vs tors. theta energy: -120.900
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: 5
=====================================
Write number: 431
Temperature: 0.950000
Total energy: -1365.129280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1365.129280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1365.129280 (E_RNA)
where:
Base-Base interactions energy: -954.826
where: short stacking energy: -396.074
Base-Backbone interact. energy: -1.560
local terms energy: -408.743166
where:
bonds (distance) C4'-P energy: -73.720
bonds (distance) P-C4' energy: -77.262
flat angles C4'-P-C4' energy: -86.365
flat angles P-C4'-P energy: -56.294
tors. eta vs tors. theta energy: -115.103
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: 3
=====================================
Write number: 431
Temperature: 1.000000
Total energy: -1280.577169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1280.577169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1280.577169 (E_RNA)
where:
Base-Base interactions energy: -868.391
where: short stacking energy: -363.207
Base-Backbone interact. energy: -0.590
local terms energy: -411.596033
where:
bonds (distance) C4'-P energy: -70.834
bonds (distance) P-C4' energy: -83.180
flat angles C4'-P-C4' energy: -89.414
flat angles P-C4'-P energy: -57.909
tors. eta vs tors. theta energy: -110.259
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: 4
=====================================
Write number: 431
Temperature: 1.050000
Total energy: -1236.783270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1236.783270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1236.783270 (E_RNA)
where:
Base-Base interactions energy: -870.851
where: short stacking energy: -332.484
Base-Backbone interact. energy: -1.137
local terms energy: -364.795226
where:
bonds (distance) C4'-P energy: -69.730
bonds (distance) P-C4' energy: -90.628
flat angles C4'-P-C4' energy: -69.320
flat angles P-C4'-P energy: -53.797
tors. eta vs tors. theta energy: -81.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 431
Temperature: 1.100000
Total energy: -1126.106281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1126.106281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1126.106281 (E_RNA)
where:
Base-Base interactions energy: -760.828
where: short stacking energy: -361.285
Base-Backbone interact. energy: -0.535
local terms energy: -364.742750
where:
bonds (distance) C4'-P energy: -83.717
bonds (distance) P-C4' energy: -63.806
flat angles C4'-P-C4' energy: -71.615
flat angles P-C4'-P energy: -42.541
tors. eta vs tors. theta energy: -103.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 431
Temperature: 1.150000
Total energy: -1092.294583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1092.294583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1092.294583 (E_RNA)
where:
Base-Base interactions energy: -752.937
where: short stacking energy: -317.010
Base-Backbone interact. energy: -1.220
local terms energy: -338.137202
where:
bonds (distance) C4'-P energy: -74.345
bonds (distance) P-C4' energy: -70.759
flat angles C4'-P-C4' energy: -67.382
flat angles P-C4'-P energy: -52.958
tors. eta vs tors. theta energy: -72.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 431
Temperature: 1.200000
Total energy: -926.045759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -926.045759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -926.045759 (E_RNA)
where:
Base-Base interactions energy: -637.142
where: short stacking energy: -276.391
Base-Backbone interact. energy: 1.104
local terms energy: -290.007072
where:
bonds (distance) C4'-P energy: -68.805
bonds (distance) P-C4' energy: -69.341
flat angles C4'-P-C4' energy: -59.334
flat angles P-C4'-P energy: -46.374
tors. eta vs tors. theta energy: -46.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 431
Temperature: 1.250000
Total energy: -843.986554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -843.986554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -843.986554 (E_RNA)
where:
Base-Base interactions energy: -553.584
where: short stacking energy: -242.835
Base-Backbone interact. energy: -2.687
local terms energy: -287.715362
where:
bonds (distance) C4'-P energy: -49.972
bonds (distance) P-C4' energy: -72.837
flat angles C4'-P-C4' energy: -69.219
flat angles P-C4'-P energy: -36.043
tors. eta vs tors. theta energy: -59.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 431
Temperature: 1.300000
Total energy: -710.764473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -710.764473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -710.764473 (E_RNA)
where:
Base-Base interactions energy: -441.793
where: short stacking energy: -195.642
Base-Backbone interact. energy: -3.355
local terms energy: -265.616628
where:
bonds (distance) C4'-P energy: -54.703
bonds (distance) P-C4' energy: -61.191
flat angles C4'-P-C4' energy: -72.982
flat angles P-C4'-P energy: -46.631
tors. eta vs tors. theta energy: -30.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 431
Temperature: 1.350000
Total energy: -403.594596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.594596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.594596 (E_RNA)
where:
Base-Base interactions energy: -197.390
where: short stacking energy: -117.913
Base-Backbone interact. energy: 1.753
local terms energy: -207.958091
where:
bonds (distance) C4'-P energy: -65.209
bonds (distance) P-C4' energy: -66.742
flat angles C4'-P-C4' energy: -36.135
flat angles P-C4'-P energy: -35.230
tors. eta vs tors. theta energy: -4.642
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: 7
=====================================
Write number: 432
Temperature: 0.900000
Total energy: -1404.066648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1404.066648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1404.066648 (E_RNA)
where:
Base-Base interactions energy: -972.871
where: short stacking energy: -408.913
Base-Backbone interact. energy: -0.730
local terms energy: -430.465831
where:
bonds (distance) C4'-P energy: -78.782
bonds (distance) P-C4' energy: -78.833
flat angles C4'-P-C4' energy: -92.183
flat angles P-C4'-P energy: -62.226
tors. eta vs tors. theta energy: -118.441
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: 2, replica: 5
=====================================
Write number: 432
Temperature: 0.950000
Total energy: -1341.067887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1341.067887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1341.067887 (E_RNA)
where:
Base-Base interactions energy: -938.658
where: short stacking energy: -386.022
Base-Backbone interact. energy: 0.742
local terms energy: -403.151744
where:
bonds (distance) C4'-P energy: -69.905
bonds (distance) P-C4' energy: -77.154
flat angles C4'-P-C4' energy: -78.458
flat angles P-C4'-P energy: -61.295
tors. eta vs tors. theta energy: -116.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 432
Temperature: 1.000000
Total energy: -1249.635146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1249.635146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1249.635146 (E_RNA)
where:
Base-Base interactions energy: -844.095
where: short stacking energy: -382.797
Base-Backbone interact. energy: -1.267
local terms energy: -404.273294
where:
bonds (distance) C4'-P energy: -77.973
bonds (distance) P-C4' energy: -78.038
flat angles C4'-P-C4' energy: -83.781
flat angles P-C4'-P energy: -56.410
tors. eta vs tors. theta energy: -108.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 432
Temperature: 1.050000
Total energy: -1180.792930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1180.792930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1180.792930 (E_RNA)
where:
Base-Base interactions energy: -829.345
where: short stacking energy: -329.054
Base-Backbone interact. energy: 1.883
local terms energy: -353.330406
where:
bonds (distance) C4'-P energy: -63.971
bonds (distance) P-C4' energy: -77.897
flat angles C4'-P-C4' energy: -82.170
flat angles P-C4'-P energy: -47.836
tors. eta vs tors. theta energy: -81.457
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: 9
=====================================
Write number: 432
Temperature: 1.100000
Total energy: -1120.239076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1120.239076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1120.239076 (E_RNA)
where:
Base-Base interactions energy: -758.893
where: short stacking energy: -320.179
Base-Backbone interact. energy: 1.612
local terms energy: -362.958009
where:
bonds (distance) C4'-P energy: -68.769
bonds (distance) P-C4' energy: -80.733
flat angles C4'-P-C4' energy: -86.925
flat angles P-C4'-P energy: -46.294
tors. eta vs tors. theta energy: -80.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 432
Temperature: 1.150000
Total energy: -1084.438372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1084.438372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1084.438372 (E_RNA)
where:
Base-Base interactions energy: -708.367
where: short stacking energy: -317.855
Base-Backbone interact. energy: -0.693
local terms energy: -375.965304
where:
bonds (distance) C4'-P energy: -75.759
bonds (distance) P-C4' energy: -72.784
flat angles C4'-P-C4' energy: -80.198
flat angles P-C4'-P energy: -50.291
tors. eta vs tors. theta energy: -96.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.588 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 432
Temperature: 1.200000
Total energy: -912.137038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -912.137038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -912.137038 (E_RNA)
where:
Base-Base interactions energy: -603.455
where: short stacking energy: -262.690
Base-Backbone interact. energy: -1.017
local terms energy: -307.664385
where:
bonds (distance) C4'-P energy: -59.729
bonds (distance) P-C4' energy: -78.834
flat angles C4'-P-C4' energy: -70.946
flat angles P-C4'-P energy: -41.193
tors. eta vs tors. theta energy: -56.962
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: 2
=====================================
Write number: 432
Temperature: 1.250000
Total energy: -856.515712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -856.515712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -856.515712 (E_RNA)
where:
Base-Base interactions energy: -575.682
where: short stacking energy: -239.076
Base-Backbone interact. energy: -2.746
local terms energy: -278.087510
where:
bonds (distance) C4'-P energy: -34.920
bonds (distance) P-C4' energy: -67.849
flat angles C4'-P-C4' energy: -72.176
flat angles P-C4'-P energy: -48.855
tors. eta vs tors. theta energy: -54.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 432
Temperature: 1.300000
Total energy: -722.055996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -722.055996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -722.055996 (E_RNA)
where:
Base-Base interactions energy: -455.604
where: short stacking energy: -208.069
Base-Backbone interact. energy: 1.327
local terms energy: -267.779356
where:
bonds (distance) C4'-P energy: -71.908
bonds (distance) P-C4' energy: -64.751
flat angles C4'-P-C4' energy: -58.028
flat angles P-C4'-P energy: -37.180
tors. eta vs tors. theta energy: -35.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 432
Temperature: 1.350000
Total energy: -430.256149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.256149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.256149 (E_RNA)
where:
Base-Base interactions energy: -205.890
where: short stacking energy: -113.724
Base-Backbone interact. energy: -0.272
local terms energy: -224.093905
where:
bonds (distance) C4'-P energy: -60.990
bonds (distance) P-C4' energy: -72.477
flat angles C4'-P-C4' energy: -58.954
flat angles P-C4'-P energy: -42.512
tors. eta vs tors. theta energy: 10.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 433
Temperature: 0.900000
Total energy: -1414.801971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1414.801971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1414.801971 (E_RNA)
where:
Base-Base interactions energy: -979.462
where: short stacking energy: -419.019
Base-Backbone interact. energy: -0.593
local terms energy: -434.747062
where:
bonds (distance) C4'-P energy: -72.082
bonds (distance) P-C4' energy: -84.816
flat angles C4'-P-C4' energy: -92.898
flat angles P-C4'-P energy: -62.821
tors. eta vs tors. theta energy: -122.130
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: 5
=====================================
Write number: 433
Temperature: 0.950000
Total energy: -1349.435489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1349.435489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1349.435489 (E_RNA)
where:
Base-Base interactions energy: -948.526
where: short stacking energy: -404.081
Base-Backbone interact. energy: -2.751
local terms energy: -398.158372
where:
bonds (distance) C4'-P energy: -78.199
bonds (distance) P-C4' energy: -69.711
flat angles C4'-P-C4' energy: -83.851
flat angles P-C4'-P energy: -52.190
tors. eta vs tors. theta energy: -114.208
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: 3, replica: 3
=====================================
Write number: 433
Temperature: 1.000000
Total energy: -1265.721004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1265.721004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1265.721004 (E_RNA)
where:
Base-Base interactions energy: -877.607
where: short stacking energy: -402.972
Base-Backbone interact. energy: -0.568
local terms energy: -387.545121
where:
bonds (distance) C4'-P energy: -63.243
bonds (distance) P-C4' energy: -76.848
flat angles C4'-P-C4' energy: -84.003
flat angles P-C4'-P energy: -49.620
tors. eta vs tors. theta energy: -113.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 433
Temperature: 1.050000
Total energy: -1162.223221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1162.223221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1162.223221 (E_RNA)
where:
Base-Base interactions energy: -815.544
where: short stacking energy: -339.236
Base-Backbone interact. energy: 7.032
local terms energy: -353.710527
where:
bonds (distance) C4'-P energy: -62.001
bonds (distance) P-C4' energy: -70.586
flat angles C4'-P-C4' energy: -84.680
flat angles P-C4'-P energy: -48.405
tors. eta vs tors. theta energy: -88.038
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: 4
=====================================
Write number: 433
Temperature: 1.100000
Total energy: -1173.499016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1173.499016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1173.499016 (E_RNA)
where:
Base-Base interactions energy: -845.071
where: short stacking energy: -325.747
Base-Backbone interact. energy: -1.387
local terms energy: -327.040972
where:
bonds (distance) C4'-P energy: -60.866
bonds (distance) P-C4' energy: -67.805
flat angles C4'-P-C4' energy: -74.397
flat angles P-C4'-P energy: -43.528
tors. eta vs tors. theta energy: -80.445
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: 1
=====================================
Write number: 433
Temperature: 1.150000
Total energy: -1096.121694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1096.121694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1096.121694 (E_RNA)
where:
Base-Base interactions energy: -736.888
where: short stacking energy: -339.270
Base-Backbone interact. energy: -1.261
local terms energy: -357.972235
where:
bonds (distance) C4'-P energy: -54.276
bonds (distance) P-C4' energy: -71.112
flat angles C4'-P-C4' energy: -81.337
flat angles P-C4'-P energy: -45.155
tors. eta vs tors. theta energy: -106.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 433
Temperature: 1.200000
Total energy: -952.145473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -952.145473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -952.145473 (E_RNA)
where:
Base-Base interactions energy: -653.130
where: short stacking energy: -263.189
Base-Backbone interact. energy: -4.099
local terms energy: -294.917056
where:
bonds (distance) C4'-P energy: -57.200
bonds (distance) P-C4' energy: -69.647
flat angles C4'-P-C4' energy: -71.750
flat angles P-C4'-P energy: -46.514
tors. eta vs tors. theta energy: -49.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 433
Temperature: 1.250000
Total energy: -874.390121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -874.390121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -874.390121 (E_RNA)
where:
Base-Base interactions energy: -578.121
where: short stacking energy: -248.821
Base-Backbone interact. energy: 1.034
local terms energy: -297.304007
where:
bonds (distance) C4'-P energy: -62.187
bonds (distance) P-C4' energy: -64.461
flat angles C4'-P-C4' energy: -69.443
flat angles P-C4'-P energy: -54.529
tors. eta vs tors. theta energy: -46.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 433
Temperature: 1.300000
Total energy: -714.463804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -714.463804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -714.463804 (E_RNA)
where:
Base-Base interactions energy: -456.457
where: short stacking energy: -188.776
Base-Backbone interact. energy: 1.616
local terms energy: -259.623090
where:
bonds (distance) C4'-P energy: -59.866
bonds (distance) P-C4' energy: -55.841
flat angles C4'-P-C4' energy: -72.260
flat angles P-C4'-P energy: -42.683
tors. eta vs tors. theta energy: -28.973
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: 6
=====================================
Write number: 433
Temperature: 1.350000
Total energy: -442.855203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.855203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.855203 (E_RNA)
where:
Base-Base interactions energy: -198.994
where: short stacking energy: -128.598
Base-Backbone interact. energy: 3.769
local terms energy: -247.629803
where:
bonds (distance) C4'-P energy: -67.792
bonds (distance) P-C4' energy: -67.674
flat angles C4'-P-C4' energy: -62.651
flat angles P-C4'-P energy: -41.334
tors. eta vs tors. theta energy: -8.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 434
Temperature: 0.900000
Total energy: -1400.866487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1400.866487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1400.866487 (E_RNA)
where:
Base-Base interactions energy: -966.598
where: short stacking energy: -411.355
Base-Backbone interact. energy: -1.976
local terms energy: -432.291674
where:
bonds (distance) C4'-P energy: -84.842
bonds (distance) P-C4' energy: -81.587
flat angles C4'-P-C4' energy: -90.880
flat angles P-C4'-P energy: -62.504
tors. eta vs tors. theta energy: -112.478
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: 5
=====================================
Write number: 434
Temperature: 0.950000
Total energy: -1362.699408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1362.699408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1362.699408 (E_RNA)
where:
Base-Base interactions energy: -945.126
where: short stacking energy: -392.970
Base-Backbone interact. energy: -2.336
local terms energy: -415.237996
where:
bonds (distance) C4'-P energy: -71.613
bonds (distance) P-C4' energy: -70.774
flat angles C4'-P-C4' energy: -91.971
flat angles P-C4'-P energy: -65.368
tors. eta vs tors. theta energy: -115.512
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: 3
=====================================
Write number: 434
Temperature: 1.000000
Total energy: -1260.289300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1260.289300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1260.289300 (E_RNA)
where:
Base-Base interactions energy: -878.076
where: short stacking energy: -380.831
Base-Backbone interact. energy: -0.305
local terms energy: -381.908038
where:
bonds (distance) C4'-P energy: -70.323
bonds (distance) P-C4' energy: -71.985
flat angles C4'-P-C4' energy: -86.026
flat angles P-C4'-P energy: -46.903
tors. eta vs tors. theta energy: -106.671
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: 4, replica: 9
=====================================
Write number: 434
Temperature: 1.050000
Total energy: -1177.599715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1177.599715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1177.599715 (E_RNA)
where:
Base-Base interactions energy: -793.823
where: short stacking energy: -354.181
Base-Backbone interact. energy: -1.423
local terms energy: -382.352964
where:
bonds (distance) C4'-P energy: -80.931
bonds (distance) P-C4' energy: -65.441
flat angles C4'-P-C4' energy: -82.177
flat angles P-C4'-P energy: -58.773
tors. eta vs tors. theta energy: -95.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 434
Temperature: 1.100000
Total energy: -1182.392615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1182.392615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1182.392615 (E_RNA)
where:
Base-Base interactions energy: -854.620
where: short stacking energy: -331.515
Base-Backbone interact. energy: -0.706
local terms energy: -327.067006
where:
bonds (distance) C4'-P energy: -54.424
bonds (distance) P-C4' energy: -64.740
flat angles C4'-P-C4' energy: -81.690
flat angles P-C4'-P energy: -45.070
tors. eta vs tors. theta energy: -81.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 434
Temperature: 1.150000
Total energy: -1035.359154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1035.359154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1035.359154 (E_RNA)
where:
Base-Base interactions energy: -693.921
where: short stacking energy: -307.842
Base-Backbone interact. energy: -0.602
local terms energy: -340.835765
where:
bonds (distance) C4'-P energy: -66.654
bonds (distance) P-C4' energy: -68.306
flat angles C4'-P-C4' energy: -71.482
flat angles P-C4'-P energy: -45.183
tors. eta vs tors. theta energy: -89.211
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: 10
=====================================
Write number: 434
Temperature: 1.200000
Total energy: -890.959598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -890.959598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -890.959598 (E_RNA)
where:
Base-Base interactions energy: -600.959
where: short stacking energy: -263.932
Base-Backbone interact. energy: -0.027
local terms energy: -289.974032
where:
bonds (distance) C4'-P energy: -56.485
bonds (distance) P-C4' energy: -60.253
flat angles C4'-P-C4' energy: -70.189
flat angles P-C4'-P energy: -45.868
tors. eta vs tors. theta energy: -57.179
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: 434
Temperature: 1.250000
Total energy: -872.220556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -872.220556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -872.220556 (E_RNA)
where:
Base-Base interactions energy: -579.241
where: short stacking energy: -276.779
Base-Backbone interact. energy: 0.185
local terms energy: -293.163754
where:
bonds (distance) C4'-P energy: -62.286
bonds (distance) P-C4' energy: -56.275
flat angles C4'-P-C4' energy: -65.877
flat angles P-C4'-P energy: -49.477
tors. eta vs tors. theta energy: -59.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 434
Temperature: 1.300000
Total energy: -712.690968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -712.690968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -712.690968 (E_RNA)
where:
Base-Base interactions energy: -436.406
where: short stacking energy: -201.367
Base-Backbone interact. energy: 0.788
local terms energy: -277.073404
where:
bonds (distance) C4'-P energy: -61.072
bonds (distance) P-C4' energy: -56.860
flat angles C4'-P-C4' energy: -69.273
flat angles P-C4'-P energy: -42.568
tors. eta vs tors. theta energy: -47.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 434
Temperature: 1.350000
Total energy: -411.131455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.131455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.131455 (E_RNA)
where:
Base-Base interactions energy: -186.768
where: short stacking energy: -116.545
Base-Backbone interact. energy: -1.401
local terms energy: -222.962866
where:
bonds (distance) C4'-P energy: -65.693
bonds (distance) P-C4' energy: -58.750
flat angles C4'-P-C4' energy: -60.064
flat angles P-C4'-P energy: -42.787
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: 7
=====================================
Write number: 435
Temperature: 0.900000
Total energy: -1404.539450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1404.539450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1404.539450 (E_RNA)
where:
Base-Base interactions energy: -982.529
where: short stacking energy: -406.017
Base-Backbone interact. energy: -0.116
local terms energy: -421.894404
where:
bonds (distance) C4'-P energy: -75.373
bonds (distance) P-C4' energy: -78.637
flat angles C4'-P-C4' energy: -93.548
flat angles P-C4'-P energy: -59.678
tors. eta vs tors. theta energy: -114.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 435
Temperature: 0.950000
Total energy: -1371.753918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1371.753918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1371.753918 (E_RNA)
where:
Base-Base interactions energy: -963.054
where: short stacking energy: -396.123
Base-Backbone interact. energy: -1.570
local terms energy: -407.129230
where:
bonds (distance) C4'-P energy: -75.077
bonds (distance) P-C4' energy: -74.802
flat angles C4'-P-C4' energy: -85.297
flat angles P-C4'-P energy: -54.954
tors. eta vs tors. theta energy: -116.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 435
Temperature: 1.000000
Total energy: -1277.717952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1277.717952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1277.717952 (E_RNA)
where:
Base-Base interactions energy: -880.929
where: short stacking energy: -381.508
Base-Backbone interact. energy: -1.816
local terms energy: -394.972960
where:
bonds (distance) C4'-P energy: -68.603
bonds (distance) P-C4' energy: -77.374
flat angles C4'-P-C4' energy: -82.514
flat angles P-C4'-P energy: -56.573
tors. eta vs tors. theta energy: -109.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 435
Temperature: 1.050000
Total energy: -1230.963302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1230.963302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1230.963302 (E_RNA)
where:
Base-Base interactions energy: -867.921
where: short stacking energy: -332.542
Base-Backbone interact. energy: -1.343
local terms energy: -361.699254
where:
bonds (distance) C4'-P energy: -71.805
bonds (distance) P-C4' energy: -68.452
flat angles C4'-P-C4' energy: -86.383
flat angles P-C4'-P energy: -49.805
tors. eta vs tors. theta energy: -85.255
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: 9
=====================================
Write number: 435
Temperature: 1.100000
Total energy: -1128.642689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1128.642689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1128.642689 (E_RNA)
where:
Base-Base interactions energy: -770.005
where: short stacking energy: -331.121
Base-Backbone interact. energy: 3.215
local terms energy: -361.851954
where:
bonds (distance) C4'-P energy: -70.007
bonds (distance) P-C4' energy: -79.115
flat angles C4'-P-C4' energy: -78.098
flat angles P-C4'-P energy: -52.194
tors. eta vs tors. theta energy: -82.438
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: 1
=====================================
Write number: 435
Temperature: 1.150000
Total energy: -1054.279624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1054.279624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1054.279624 (E_RNA)
where:
Base-Base interactions energy: -706.244
where: short stacking energy: -312.182
Base-Backbone interact. energy: 2.591
local terms energy: -350.627178
where:
bonds (distance) C4'-P energy: -67.401
bonds (distance) P-C4' energy: -84.172
flat angles C4'-P-C4' energy: -72.755
flat angles P-C4'-P energy: -47.914
tors. eta vs tors. theta energy: -78.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 435
Temperature: 1.200000
Total energy: -871.087210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -871.087210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -871.087210 (E_RNA)
where:
Base-Base interactions energy: -564.005
where: short stacking energy: -235.658
Base-Backbone interact. energy: -3.133
local terms energy: -303.948754
where:
bonds (distance) C4'-P energy: -61.241
bonds (distance) P-C4' energy: -79.967
flat angles C4'-P-C4' energy: -59.739
flat angles P-C4'-P energy: -55.402
tors. eta vs tors. theta energy: -47.600
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: 2
=====================================
Write number: 435
Temperature: 1.250000
Total energy: -865.128415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -865.128415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -865.128415 (E_RNA)
where:
Base-Base interactions energy: -571.013
where: short stacking energy: -240.919
Base-Backbone interact. energy: 0.015
local terms energy: -294.130049
where:
bonds (distance) C4'-P energy: -73.052
bonds (distance) P-C4' energy: -59.271
flat angles C4'-P-C4' energy: -75.160
flat angles P-C4'-P energy: -38.531
tors. eta vs tors. theta energy: -48.115
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: 8
=====================================
Write number: 435
Temperature: 1.300000
Total energy: -729.302474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -729.302474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -729.302474 (E_RNA)
where:
Base-Base interactions energy: -447.081
where: short stacking energy: -202.025
Base-Backbone interact. energy: -1.105
local terms energy: -281.116250
where:
bonds (distance) C4'-P energy: -61.089
bonds (distance) P-C4' energy: -75.083
flat angles C4'-P-C4' energy: -65.973
flat angles P-C4'-P energy: -38.598
tors. eta vs tors. theta energy: -40.373
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: 6
=====================================
Write number: 435
Temperature: 1.350000
Total energy: -429.719461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.719461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.719461 (E_RNA)
where:
Base-Base interactions energy: -222.117
where: short stacking energy: -117.026
Base-Backbone interact. energy: 1.767
local terms energy: -209.369120
where:
bonds (distance) C4'-P energy: -60.457
bonds (distance) P-C4' energy: -65.420
flat angles C4'-P-C4' energy: -38.472
flat angles P-C4'-P energy: -48.837
tors. eta vs tors. theta energy: 3.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 436
Temperature: 0.900000
Total energy: -1398.502096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1398.502096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1398.502096 (E_RNA)
where:
Base-Base interactions energy: -972.271
where: short stacking energy: -407.403
Base-Backbone interact. energy: -0.015
local terms energy: -426.215647
where:
bonds (distance) C4'-P energy: -76.889
bonds (distance) P-C4' energy: -83.837
flat angles C4'-P-C4' energy: -96.099
flat angles P-C4'-P energy: -53.527
tors. eta vs tors. theta energy: -115.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 436
Temperature: 0.950000
Total energy: -1336.757520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1336.757520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1336.757520 (E_RNA)
where:
Base-Base interactions energy: -939.111
where: short stacking energy: -376.400
Base-Backbone interact. energy: 0.633
local terms energy: -398.279398
where:
bonds (distance) C4'-P energy: -72.784
bonds (distance) P-C4' energy: -79.213
flat angles C4'-P-C4' energy: -81.200
flat angles P-C4'-P energy: -54.760
tors. eta vs tors. theta energy: -110.323
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: 436
Temperature: 1.000000
Total energy: -1274.910811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1274.910811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1274.910811 (E_RNA)
where:
Base-Base interactions energy: -866.537
where: short stacking energy: -384.488
Base-Backbone interact. energy: -1.726
local terms energy: -406.648153
where:
bonds (distance) C4'-P energy: -67.787
bonds (distance) P-C4' energy: -72.626
flat angles C4'-P-C4' energy: -89.525
flat angles P-C4'-P energy: -59.194
tors. eta vs tors. theta energy: -117.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 436
Temperature: 1.050000
Total energy: -1222.357081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1222.357081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1222.357081 (E_RNA)
where:
Base-Base interactions energy: -860.671
where: short stacking energy: -332.145
Base-Backbone interact. energy: -0.973
local terms energy: -360.713396
where:
bonds (distance) C4'-P energy: -62.354
bonds (distance) P-C4' energy: -78.095
flat angles C4'-P-C4' energy: -81.144
flat angles P-C4'-P energy: -52.990
tors. eta vs tors. theta energy: -86.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 436
Temperature: 1.100000
Total energy: -1132.698999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1132.698999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1132.698999 (E_RNA)
where:
Base-Base interactions energy: -781.387
where: short stacking energy: -321.148
Base-Backbone interact. energy: -0.625
local terms energy: -350.686298
where:
bonds (distance) C4'-P energy: -61.068
bonds (distance) P-C4' energy: -79.159
flat angles C4'-P-C4' energy: -74.500
flat angles P-C4'-P energy: -43.908
tors. eta vs tors. theta energy: -92.051
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: 6, replica: 1
=====================================
Write number: 436
Temperature: 1.150000
Total energy: -1075.669876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1075.669876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1075.669876 (E_RNA)
where:
Base-Base interactions energy: -726.506
where: short stacking energy: -322.923
Base-Backbone interact. energy: 0.371
local terms energy: -349.534165
where:
bonds (distance) C4'-P energy: -70.787
bonds (distance) P-C4' energy: -58.050
flat angles C4'-P-C4' energy: -76.734
flat angles P-C4'-P energy: -52.659
tors. eta vs tors. theta energy: -91.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 436
Temperature: 1.200000
Total energy: -884.318454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -884.318454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -884.318454 (E_RNA)
where:
Base-Base interactions energy: -563.962
where: short stacking energy: -249.351
Base-Backbone interact. energy: 1.440
local terms energy: -321.796667
where:
bonds (distance) C4'-P energy: -69.291
bonds (distance) P-C4' energy: -76.723
flat angles C4'-P-C4' energy: -80.334
flat angles P-C4'-P energy: -43.024
tors. eta vs tors. theta energy: -52.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 436
Temperature: 1.250000
Total energy: -845.550024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -845.550024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -845.550024 (E_RNA)
where:
Base-Base interactions energy: -566.491
where: short stacking energy: -241.528
Base-Backbone interact. energy: -1.061
local terms energy: -277.998045
where:
bonds (distance) C4'-P energy: -62.523
bonds (distance) P-C4' energy: -54.177
flat angles C4'-P-C4' energy: -71.470
flat angles P-C4'-P energy: -40.704
tors. eta vs tors. theta energy: -49.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 436
Temperature: 1.300000
Total energy: -662.192070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -662.192070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -662.192070 (E_RNA)
where:
Base-Base interactions energy: -409.833
where: short stacking energy: -188.332
Base-Backbone interact. energy: -2.237
local terms energy: -250.123004
where:
bonds (distance) C4'-P energy: -62.099
bonds (distance) P-C4' energy: -66.704
flat angles C4'-P-C4' energy: -63.001
flat angles P-C4'-P energy: -32.213
tors. eta vs tors. theta energy: -26.106
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: 10, replica: 6
=====================================
Write number: 436
Temperature: 1.350000
Total energy: -426.038988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.038988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.038988 (E_RNA)
where:
Base-Base interactions energy: -200.623
where: short stacking energy: -110.381
Base-Backbone interact. energy: -3.079
local terms energy: -222.337390
where:
bonds (distance) C4'-P energy: -58.675
bonds (distance) P-C4' energy: -72.654
flat angles C4'-P-C4' energy: -49.261
flat angles P-C4'-P energy: -46.615
tors. eta vs tors. theta energy: 4.868
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: 7
=====================================
Write number: 437
Temperature: 0.900000
Total energy: -1385.568343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1385.568343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1385.568343 (E_RNA)
where:
Base-Base interactions energy: -971.241
where: short stacking energy: -414.740
Base-Backbone interact. energy: 0.696
local terms energy: -415.023182
where:
bonds (distance) C4'-P energy: -72.010
bonds (distance) P-C4' energy: -83.078
flat angles C4'-P-C4' energy: -82.450
flat angles P-C4'-P energy: -65.023
tors. eta vs tors. theta energy: -112.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 437
Temperature: 0.950000
Total energy: -1370.130197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1370.130197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1370.130197 (E_RNA)
where:
Base-Base interactions energy: -975.167
where: short stacking energy: -409.359
Base-Backbone interact. energy: -2.141
local terms energy: -392.822063
where:
bonds (distance) C4'-P energy: -73.314
bonds (distance) P-C4' energy: -74.121
flat angles C4'-P-C4' energy: -81.792
flat angles P-C4'-P energy: -50.051
tors. eta vs tors. theta energy: -113.544
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: 3, replica: 3
=====================================
Write number: 437
Temperature: 1.000000
Total energy: -1277.216752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1277.216752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1277.216752 (E_RNA)
where:
Base-Base interactions energy: -858.552
where: short stacking energy: -372.913
Base-Backbone interact. energy: -0.614
local terms energy: -418.050966
where:
bonds (distance) C4'-P energy: -76.057
bonds (distance) P-C4' energy: -82.356
flat angles C4'-P-C4' energy: -81.177
flat angles P-C4'-P energy: -59.931
tors. eta vs tors. theta energy: -118.530
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: 4
=====================================
Write number: 437
Temperature: 1.050000
Total energy: -1207.848793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1207.848793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1207.848793 (E_RNA)
where:
Base-Base interactions energy: -848.200
where: short stacking energy: -318.959
Base-Backbone interact. energy: -1.531
local terms energy: -358.117985
where:
bonds (distance) C4'-P energy: -72.965
bonds (distance) P-C4' energy: -72.233
flat angles C4'-P-C4' energy: -78.570
flat angles P-C4'-P energy: -48.815
tors. eta vs tors. theta energy: -85.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 437
Temperature: 1.100000
Total energy: -1153.166699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1153.166699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1153.166699 (E_RNA)
where:
Base-Base interactions energy: -786.406
where: short stacking energy: -308.729
Base-Backbone interact. energy: -1.396
local terms energy: -365.365559
where:
bonds (distance) C4'-P energy: -75.012
bonds (distance) P-C4' energy: -79.326
flat angles C4'-P-C4' energy: -70.652
flat angles P-C4'-P energy: -53.334
tors. eta vs tors. theta energy: -87.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 437
Temperature: 1.150000
Total energy: -1102.738877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1102.738877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1102.738877 (E_RNA)
where:
Base-Base interactions energy: -752.535
where: short stacking energy: -338.394
Base-Backbone interact. energy: -1.604
local terms energy: -348.599860
where:
bonds (distance) C4'-P energy: -63.181
bonds (distance) P-C4' energy: -62.983
flat angles C4'-P-C4' energy: -85.617
flat angles P-C4'-P energy: -45.753
tors. eta vs tors. theta energy: -91.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 437
Temperature: 1.200000
Total energy: -906.141794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -906.141794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -906.141794 (E_RNA)
where:
Base-Base interactions energy: -596.111
where: short stacking energy: -268.634
Base-Backbone interact. energy: 0.786
local terms energy: -310.816496
where:
bonds (distance) C4'-P energy: -51.950
bonds (distance) P-C4' energy: -72.244
flat angles C4'-P-C4' energy: -72.976
flat angles P-C4'-P energy: -56.082
tors. eta vs tors. theta energy: -57.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 437
Temperature: 1.250000
Total energy: -888.001752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -888.001752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -888.001752 (E_RNA)
where:
Base-Base interactions energy: -592.520
where: short stacking energy: -264.416
Base-Backbone interact. energy: 1.501
local terms energy: -296.983070
where:
bonds (distance) C4'-P energy: -49.433
bonds (distance) P-C4' energy: -82.273
flat angles C4'-P-C4' energy: -70.751
flat angles P-C4'-P energy: -44.044
tors. eta vs tors. theta energy: -50.483
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: 8
=====================================
Write number: 437
Temperature: 1.300000
Total energy: -724.046719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -724.046719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -724.046719 (E_RNA)
where:
Base-Base interactions energy: -448.891
where: short stacking energy: -220.918
Base-Backbone interact. energy: -1.369
local terms energy: -273.786632
where:
bonds (distance) C4'-P energy: -79.970
bonds (distance) P-C4' energy: -70.967
flat angles C4'-P-C4' energy: -55.017
flat angles P-C4'-P energy: -25.730
tors. eta vs tors. theta energy: -42.103
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: 6
=====================================
Write number: 437
Temperature: 1.350000
Total energy: -421.178224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.178224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.178224 (E_RNA)
where:
Base-Base interactions energy: -195.855
where: short stacking energy: -113.836
Base-Backbone interact. energy: 1.754
local terms energy: -229.483884
where:
bonds (distance) C4'-P energy: -71.645
bonds (distance) P-C4' energy: -63.310
flat angles C4'-P-C4' energy: -62.456
flat angles P-C4'-P energy: -42.076
tors. eta vs tors. theta energy: 10.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 2.406 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 438
Temperature: 0.900000
Total energy: -1373.385850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1373.385850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1373.385850 (E_RNA)
where:
Base-Base interactions energy: -982.874
where: short stacking energy: -412.040
Base-Backbone interact. energy: 0.039
local terms energy: -390.550981
where:
bonds (distance) C4'-P energy: -63.796
bonds (distance) P-C4' energy: -77.426
flat angles C4'-P-C4' energy: -86.291
flat angles P-C4'-P energy: -52.420
tors. eta vs tors. theta energy: -110.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 438
Temperature: 0.950000
Total energy: -1358.611875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1358.611875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1358.611875 (E_RNA)
where:
Base-Base interactions energy: -959.118
where: short stacking energy: -394.070
Base-Backbone interact. energy: -2.282
local terms energy: -397.211743
where:
bonds (distance) C4'-P energy: -74.529
bonds (distance) P-C4' energy: -85.039
flat angles C4'-P-C4' energy: -78.460
flat angles P-C4'-P energy: -52.176
tors. eta vs tors. theta energy: -107.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 438
Temperature: 1.000000
Total energy: -1283.262154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1283.262154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1283.262154 (E_RNA)
where:
Base-Base interactions energy: -876.510
where: short stacking energy: -388.918
Base-Backbone interact. energy: -0.348
local terms energy: -406.403632
where:
bonds (distance) C4'-P energy: -70.441
bonds (distance) P-C4' energy: -79.852
flat angles C4'-P-C4' energy: -81.870
flat angles P-C4'-P energy: -58.264
tors. eta vs tors. theta energy: -115.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 438
Temperature: 1.050000
Total energy: -1261.023285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1261.023285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1261.023285 (E_RNA)
where:
Base-Base interactions energy: -889.078
where: short stacking energy: -342.297
Base-Backbone interact. energy: 1.273
local terms energy: -373.218411
where:
bonds (distance) C4'-P energy: -69.109
bonds (distance) P-C4' energy: -73.950
flat angles C4'-P-C4' energy: -86.123
flat angles P-C4'-P energy: -48.902
tors. eta vs tors. theta energy: -95.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 438
Temperature: 1.100000
Total energy: -1140.005363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1140.005363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1140.005363 (E_RNA)
where:
Base-Base interactions energy: -771.937
where: short stacking energy: -329.119
Base-Backbone interact. energy: 2.873
local terms energy: -370.941162
where:
bonds (distance) C4'-P energy: -55.946
bonds (distance) P-C4' energy: -85.650
flat angles C4'-P-C4' energy: -81.034
flat angles P-C4'-P energy: -56.825
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: 6, replica: 1
=====================================
Write number: 438
Temperature: 1.150000
Total energy: -1114.889919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1114.889919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1114.889919 (E_RNA)
where:
Base-Base interactions energy: -748.456
where: short stacking energy: -329.060
Base-Backbone interact. energy: -1.249
local terms energy: -365.184693
where:
bonds (distance) C4'-P energy: -63.057
bonds (distance) P-C4' energy: -70.021
flat angles C4'-P-C4' energy: -78.957
flat angles P-C4'-P energy: -56.026
tors. eta vs tors. theta energy: -97.124
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: 2
=====================================
Write number: 438
Temperature: 1.200000
Total energy: -911.722520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -911.722520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -911.722520 (E_RNA)
where:
Base-Base interactions energy: -607.326
where: short stacking energy: -276.145
Base-Backbone interact. energy: -0.799
local terms energy: -303.597591
where:
bonds (distance) C4'-P energy: -65.054
bonds (distance) P-C4' energy: -64.430
flat angles C4'-P-C4' energy: -73.435
flat angles P-C4'-P energy: -47.394
tors. eta vs tors. theta energy: -53.285
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: 10
=====================================
Write number: 438
Temperature: 1.250000
Total energy: -859.205771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -859.205771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -859.205771 (E_RNA)
where:
Base-Base interactions energy: -559.953
where: short stacking energy: -237.434
Base-Backbone interact. energy: 2.230
local terms energy: -301.482627
where:
bonds (distance) C4'-P energy: -61.020
bonds (distance) P-C4' energy: -74.643
flat angles C4'-P-C4' energy: -68.683
flat angles P-C4'-P energy: -49.008
tors. eta vs tors. theta energy: -48.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 438
Temperature: 1.300000
Total energy: -707.017568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -707.017568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -707.017568 (E_RNA)
where:
Base-Base interactions energy: -423.455
where: short stacking energy: -208.825
Base-Backbone interact. energy: -0.882
local terms energy: -282.680289
where:
bonds (distance) C4'-P energy: -49.527
bonds (distance) P-C4' energy: -76.330
flat angles C4'-P-C4' energy: -75.433
flat angles P-C4'-P energy: -46.916
tors. eta vs tors. theta energy: -34.475
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: 6
=====================================
Write number: 438
Temperature: 1.350000
Total energy: -430.708605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.708605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.708605 (E_RNA)
where:
Base-Base interactions energy: -213.281
where: short stacking energy: -118.202
Base-Backbone interact. energy: -1.136
local terms energy: -216.290794
where:
bonds (distance) C4'-P energy: -71.717
bonds (distance) P-C4' energy: -57.535
flat angles C4'-P-C4' energy: -49.450
flat angles P-C4'-P energy: -30.883
tors. eta vs tors. theta energy: -6.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 439
Temperature: 0.900000
Total energy: -1380.190703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1380.190703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1380.190703 (E_RNA)
where:
Base-Base interactions energy: -968.106
where: short stacking energy: -401.586
Base-Backbone interact. energy: -0.523
local terms energy: -411.561894
where:
bonds (distance) C4'-P energy: -86.665
bonds (distance) P-C4' energy: -81.291
flat angles C4'-P-C4' energy: -83.960
flat angles P-C4'-P energy: -52.500
tors. eta vs tors. theta energy: -107.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 439
Temperature: 0.950000
Total energy: -1363.342525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1363.342525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1363.342525 (E_RNA)
where:
Base-Base interactions energy: -961.335
where: short stacking energy: -386.202
Base-Backbone interact. energy: 2.387
local terms energy: -404.394661
where:
bonds (distance) C4'-P energy: -73.687
bonds (distance) P-C4' energy: -76.578
flat angles C4'-P-C4' energy: -85.314
flat angles P-C4'-P energy: -57.715
tors. eta vs tors. theta energy: -111.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 439
Temperature: 1.000000
Total energy: -1308.135398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1308.135398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1308.135398 (E_RNA)
where:
Base-Base interactions energy: -889.064
where: short stacking energy: -399.278
Base-Backbone interact. energy: -0.160
local terms energy: -418.911392
where:
bonds (distance) C4'-P energy: -75.064
bonds (distance) P-C4' energy: -74.598
flat angles C4'-P-C4' energy: -90.377
flat angles P-C4'-P energy: -56.524
tors. eta vs tors. theta energy: -122.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 439
Temperature: 1.050000
Total energy: -1253.582944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1253.582944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1253.582944 (E_RNA)
where:
Base-Base interactions energy: -884.910
where: short stacking energy: -331.445
Base-Backbone interact. energy: -2.698
local terms energy: -365.975244
where:
bonds (distance) C4'-P energy: -64.755
bonds (distance) P-C4' energy: -73.914
flat angles C4'-P-C4' energy: -78.985
flat angles P-C4'-P energy: -59.853
tors. eta vs tors. theta energy: -88.467
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: 9
=====================================
Write number: 439
Temperature: 1.100000
Total energy: -1106.770604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1106.770604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1106.770604 (E_RNA)
where:
Base-Base interactions energy: -749.683
where: short stacking energy: -334.129
Base-Backbone interact. energy: 3.890
local terms energy: -360.977891
where:
bonds (distance) C4'-P energy: -63.974
bonds (distance) P-C4' energy: -68.843
flat angles C4'-P-C4' energy: -82.689
flat angles P-C4'-P energy: -52.878
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: 6, replica: 1
=====================================
Write number: 439
Temperature: 1.150000
Total energy: -1060.401641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1060.401641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1060.401641 (E_RNA)
where:
Base-Base interactions energy: -711.543
where: short stacking energy: -319.364
Base-Backbone interact. energy: 3.483
local terms energy: -352.341471
where:
bonds (distance) C4'-P energy: -67.229
bonds (distance) P-C4' energy: -73.439
flat angles C4'-P-C4' energy: -69.916
flat angles P-C4'-P energy: -57.289
tors. eta vs tors. theta energy: -84.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 439
Temperature: 1.200000
Total energy: -894.071782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -894.071782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -894.071782 (E_RNA)
where:
Base-Base interactions energy: -572.852
where: short stacking energy: -253.936
Base-Backbone interact. energy: 0.380
local terms energy: -321.600511
where:
bonds (distance) C4'-P energy: -58.893
bonds (distance) P-C4' energy: -84.346
flat angles C4'-P-C4' energy: -73.985
flat angles P-C4'-P energy: -52.590
tors. eta vs tors. theta energy: -51.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 439
Temperature: 1.250000
Total energy: -845.682782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -845.682782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -845.682782 (E_RNA)
where:
Base-Base interactions energy: -553.709
where: short stacking energy: -243.753
Base-Backbone interact. energy: -1.657
local terms energy: -290.316754
where:
bonds (distance) C4'-P energy: -76.771
bonds (distance) P-C4' energy: -67.127
flat angles C4'-P-C4' energy: -65.114
flat angles P-C4'-P energy: -30.590
tors. eta vs tors. theta energy: -50.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 439
Temperature: 1.300000
Total energy: -705.862351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -705.862351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -705.862351 (E_RNA)
where:
Base-Base interactions energy: -417.357
where: short stacking energy: -214.020
Base-Backbone interact. energy: 0.766
local terms energy: -289.271976
where:
bonds (distance) C4'-P energy: -51.841
bonds (distance) P-C4' energy: -75.612
flat angles C4'-P-C4' energy: -69.603
flat angles P-C4'-P energy: -41.280
tors. eta vs tors. theta energy: -50.936
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: 6
=====================================
Write number: 439
Temperature: 1.350000
Total energy: -435.572293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.572293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.572293 (E_RNA)
where:
Base-Base interactions energy: -228.691
where: short stacking energy: -131.703
Base-Backbone interact. energy: 6.701
local terms energy: -213.893783
where:
bonds (distance) C4'-P energy: -51.414
bonds (distance) P-C4' energy: -65.605
flat angles C4'-P-C4' energy: -67.192
flat angles P-C4'-P energy: -31.973
tors. eta vs tors. theta energy: 2.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.312 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 440
Temperature: 0.900000
Total energy: -1380.024880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1380.024880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1380.024880 (E_RNA)
where:
Base-Base interactions energy: -973.608
where: short stacking energy: -385.876
Base-Backbone interact. energy: -0.282
local terms energy: -406.135125
where:
bonds (distance) C4'-P energy: -80.185
bonds (distance) P-C4' energy: -76.717
flat angles C4'-P-C4' energy: -81.817
flat angles P-C4'-P energy: -56.975
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: 2, replica: 5
=====================================
Write number: 440
Temperature: 0.950000
Total energy: -1344.061638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1344.061638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1344.061638 (E_RNA)
where:
Base-Base interactions energy: -951.807
where: short stacking energy: -381.716
Base-Backbone interact. energy: 4.804
local terms energy: -397.059331
where:
bonds (distance) C4'-P energy: -73.699
bonds (distance) P-C4' energy: -81.792
flat angles C4'-P-C4' energy: -76.459
flat angles P-C4'-P energy: -56.290
tors. eta vs tors. theta energy: -108.819
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: 3
=====================================
Write number: 440
Temperature: 1.000000
Total energy: -1266.013042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1266.013042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1266.013042 (E_RNA)
where:
Base-Base interactions energy: -850.426
where: short stacking energy: -394.734
Base-Backbone interact. energy: -1.630
local terms energy: -413.956648
where:
bonds (distance) C4'-P energy: -71.469
bonds (distance) P-C4' energy: -78.888
flat angles C4'-P-C4' energy: -87.513
flat angles P-C4'-P energy: -58.229
tors. eta vs tors. theta energy: -117.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 440
Temperature: 1.050000
Total energy: -1235.104590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1235.104590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1235.104590 (E_RNA)
where:
Base-Base interactions energy: -872.491
where: short stacking energy: -344.100
Base-Backbone interact. energy: -1.474
local terms energy: -361.139324
where:
bonds (distance) C4'-P energy: -63.011
bonds (distance) P-C4' energy: -67.706
flat angles C4'-P-C4' energy: -75.241
flat angles P-C4'-P energy: -60.699
tors. eta vs tors. theta energy: -94.482
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: 9
=====================================
Write number: 440
Temperature: 1.100000
Total energy: -1099.495184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1099.495184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1099.495184 (E_RNA)
where:
Base-Base interactions energy: -756.751
where: short stacking energy: -320.281
Base-Backbone interact. energy: -0.793
local terms energy: -341.951799
where:
bonds (distance) C4'-P energy: -58.287
bonds (distance) P-C4' energy: -65.918
flat angles C4'-P-C4' energy: -73.239
flat angles P-C4'-P energy: -65.046
tors. eta vs tors. theta energy: -79.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 440
Temperature: 1.150000
Total energy: -1080.826036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1080.826036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1080.826036 (E_RNA)
where:
Base-Base interactions energy: -705.756
where: short stacking energy: -325.097
Base-Backbone interact. energy: -1.056
local terms energy: -374.014144
where:
bonds (distance) C4'-P energy: -76.023
bonds (distance) P-C4' energy: -71.941
flat angles C4'-P-C4' energy: -76.830
flat angles P-C4'-P energy: -52.502
tors. eta vs tors. theta energy: -96.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 440
Temperature: 1.200000
Total energy: -932.174606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -932.174606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -932.174606 (E_RNA)
where:
Base-Base interactions energy: -627.629
where: short stacking energy: -271.838
Base-Backbone interact. energy: 0.193
local terms energy: -304.738189
where:
bonds (distance) C4'-P energy: -61.427
bonds (distance) P-C4' energy: -64.422
flat angles C4'-P-C4' energy: -67.443
flat angles P-C4'-P energy: -45.255
tors. eta vs tors. theta energy: -66.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 440
Temperature: 1.250000
Total energy: -866.483775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -866.483775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -866.483775 (E_RNA)
where:
Base-Base interactions energy: -544.626
where: short stacking energy: -258.040
Base-Backbone interact. energy: -1.391
local terms energy: -320.466708
where:
bonds (distance) C4'-P energy: -63.675
bonds (distance) P-C4' energy: -77.219
flat angles C4'-P-C4' energy: -82.536
flat angles P-C4'-P energy: -39.484
tors. eta vs tors. theta energy: -57.553
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: 8
=====================================
Write number: 440
Temperature: 1.300000
Total energy: -688.149453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -688.149453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -688.149453 (E_RNA)
where:
Base-Base interactions energy: -418.976
where: short stacking energy: -185.385
Base-Backbone interact. energy: 1.642
local terms energy: -270.815722
where:
bonds (distance) C4'-P energy: -60.428
bonds (distance) P-C4' energy: -76.783
flat angles C4'-P-C4' energy: -72.271
flat angles P-C4'-P energy: -34.320
tors. eta vs tors. theta energy: -27.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 440
Temperature: 1.350000
Total energy: -457.180830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.180830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.180830 (E_RNA)
where:
Base-Base interactions energy: -256.096
where: short stacking energy: -145.230
Base-Backbone interact. energy: 0.659
local terms energy: -201.743787
where:
bonds (distance) C4'-P energy: -53.442
bonds (distance) P-C4' energy: -63.515
flat angles C4'-P-C4' energy: -50.547
flat angles P-C4'-P energy: -32.088
tors. eta vs tors. theta energy: -2.152
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: 1, replica: 7
=====================================
Write number: 441
Temperature: 0.900000
Total energy: -1395.085388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1395.085388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1395.085388 (E_RNA)
where:
Base-Base interactions energy: -972.994
where: short stacking energy: -400.110
Base-Backbone interact. energy: -2.433
local terms energy: -419.658870
where:
bonds (distance) C4'-P energy: -74.304
bonds (distance) P-C4' energy: -80.992
flat angles C4'-P-C4' energy: -89.512
flat angles P-C4'-P energy: -58.147
tors. eta vs tors. theta energy: -116.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 441
Temperature: 0.950000
Total energy: -1358.671429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1358.671429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1358.671429 (E_RNA)
where:
Base-Base interactions energy: -963.058
where: short stacking energy: -419.704
Base-Backbone interact. energy: -2.090
local terms energy: -393.523264
where:
bonds (distance) C4'-P energy: -59.085
bonds (distance) P-C4' energy: -78.008
flat angles C4'-P-C4' energy: -79.235
flat angles P-C4'-P energy: -65.205
tors. eta vs tors. theta energy: -111.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 441
Temperature: 1.000000
Total energy: -1271.732846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1271.732846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1271.732846 (E_RNA)
where:
Base-Base interactions energy: -876.145
where: short stacking energy: -384.271
Base-Backbone interact. energy: -0.582
local terms energy: -395.005704
where:
bonds (distance) C4'-P energy: -72.365
bonds (distance) P-C4' energy: -77.277
flat angles C4'-P-C4' energy: -82.537
flat angles P-C4'-P energy: -56.383
tors. eta vs tors. theta energy: -106.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 441
Temperature: 1.050000
Total energy: -1243.039142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1243.039142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1243.039142 (E_RNA)
where:
Base-Base interactions energy: -878.585
where: short stacking energy: -341.045
Base-Backbone interact. energy: 2.173
local terms energy: -366.627610
where:
bonds (distance) C4'-P energy: -73.519
bonds (distance) P-C4' energy: -73.448
flat angles C4'-P-C4' energy: -79.212
flat angles P-C4'-P energy: -47.751
tors. eta vs tors. theta energy: -92.697
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: 9
=====================================
Write number: 441
Temperature: 1.100000
Total energy: -1120.238032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1120.238032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1120.238032 (E_RNA)
where:
Base-Base interactions energy: -774.383
where: short stacking energy: -335.584
Base-Backbone interact. energy: -0.191
local terms energy: -345.664101
where:
bonds (distance) C4'-P energy: -64.687
bonds (distance) P-C4' energy: -74.486
flat angles C4'-P-C4' energy: -68.087
flat angles P-C4'-P energy: -52.607
tors. eta vs tors. theta energy: -85.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 441
Temperature: 1.150000
Total energy: -1052.811568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1052.811568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1052.811568 (E_RNA)
where:
Base-Base interactions energy: -712.159
where: short stacking energy: -327.075
Base-Backbone interact. energy: -1.737
local terms energy: -338.915100
where:
bonds (distance) C4'-P energy: -66.886
bonds (distance) P-C4' energy: -60.179
flat angles C4'-P-C4' energy: -77.661
flat angles P-C4'-P energy: -49.285
tors. eta vs tors. theta energy: -84.904
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: 2
=====================================
Write number: 441
Temperature: 1.200000
Total energy: -931.496228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -931.496228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -931.496228 (E_RNA)
where:
Base-Base interactions energy: -612.650
where: short stacking energy: -274.611
Base-Backbone interact. energy: 2.403
local terms energy: -321.248866
where:
bonds (distance) C4'-P energy: -58.175
bonds (distance) P-C4' energy: -61.398
flat angles C4'-P-C4' energy: -84.030
flat angles P-C4'-P energy: -50.778
tors. eta vs tors. theta energy: -66.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 441
Temperature: 1.250000
Total energy: -884.369274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -884.369274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -884.369274 (E_RNA)
where:
Base-Base interactions energy: -593.348
where: short stacking energy: -251.503
Base-Backbone interact. energy: 0.763
local terms energy: -291.784318
where:
bonds (distance) C4'-P energy: -64.638
bonds (distance) P-C4' energy: -68.754
flat angles C4'-P-C4' energy: -69.069
flat angles P-C4'-P energy: -40.857
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: 8
=====================================
Write number: 441
Temperature: 1.300000
Total energy: -734.966906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -734.966906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -734.966906 (E_RNA)
where:
Base-Base interactions energy: -451.492
where: short stacking energy: -216.854
Base-Backbone interact. energy: 2.653
local terms energy: -286.127531
where:
bonds (distance) C4'-P energy: -65.431
bonds (distance) P-C4' energy: -68.462
flat angles C4'-P-C4' energy: -66.277
flat angles P-C4'-P energy: -44.464
tors. eta vs tors. theta energy: -41.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 441
Temperature: 1.350000
Total energy: -446.492978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.492978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.492978 (E_RNA)
where:
Base-Base interactions energy: -236.808
where: short stacking energy: -134.952
Base-Backbone interact. energy: -0.929
local terms energy: -208.755526
where:
bonds (distance) C4'-P energy: -65.980
bonds (distance) P-C4' energy: -55.267
flat angles C4'-P-C4' energy: -58.624
flat angles P-C4'-P energy: -33.697
tors. eta vs tors. theta energy: 4.812
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: 7
=====================================
Write number: 442
Temperature: 0.900000
Total energy: -1415.407404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1415.407404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1415.407404 (E_RNA)
where:
Base-Base interactions energy: -993.007
where: short stacking energy: -408.984
Base-Backbone interact. energy: -1.647
local terms energy: -420.753171
where:
bonds (distance) C4'-P energy: -81.430
bonds (distance) P-C4' energy: -71.519
flat angles C4'-P-C4' energy: -82.132
flat angles P-C4'-P energy: -67.870
tors. eta vs tors. theta energy: -117.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 442
Temperature: 0.950000
Total energy: -1344.583995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1344.583995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1344.583995 (E_RNA)
where:
Base-Base interactions energy: -952.452
where: short stacking energy: -388.123
Base-Backbone interact. energy: -1.679
local terms energy: -390.453260
where:
bonds (distance) C4'-P energy: -75.655
bonds (distance) P-C4' energy: -73.610
flat angles C4'-P-C4' energy: -70.868
flat angles P-C4'-P energy: -59.722
tors. eta vs tors. theta energy: -110.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 442
Temperature: 1.000000
Total energy: -1250.434283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1250.434283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1250.434283 (E_RNA)
where:
Base-Base interactions energy: -867.442
where: short stacking energy: -350.940
Base-Backbone interact. energy: -2.597
local terms energy: -380.395273
where:
bonds (distance) C4'-P energy: -71.274
bonds (distance) P-C4' energy: -75.333
flat angles C4'-P-C4' energy: -84.320
flat angles P-C4'-P energy: -56.371
tors. eta vs tors. theta energy: -93.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 442
Temperature: 1.050000
Total energy: -1230.077983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1230.077983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1230.077983 (E_RNA)
where:
Base-Base interactions energy: -836.620
where: short stacking energy: -368.426
Base-Backbone interact. energy: -1.434
local terms energy: -392.023312
where:
bonds (distance) C4'-P energy: -71.051
bonds (distance) P-C4' energy: -72.258
flat angles C4'-P-C4' energy: -81.359
flat angles P-C4'-P energy: -53.503
tors. eta vs tors. theta energy: -113.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 442
Temperature: 1.100000
Total energy: -1150.896660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1150.896660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1150.896660 (E_RNA)
where:
Base-Base interactions energy: -786.884
where: short stacking energy: -334.728
Base-Backbone interact. energy: -1.446
local terms energy: -362.566670
where:
bonds (distance) C4'-P energy: -75.425
bonds (distance) P-C4' energy: -65.683
flat angles C4'-P-C4' energy: -88.355
flat angles P-C4'-P energy: -45.104
tors. eta vs tors. theta energy: -87.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 442
Temperature: 1.150000
Total energy: -1055.304589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1055.304589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1055.304589 (E_RNA)
where:
Base-Base interactions energy: -706.363
where: short stacking energy: -332.407
Base-Backbone interact. energy: -0.002
local terms energy: -350.057919
where:
bonds (distance) C4'-P energy: -66.873
bonds (distance) P-C4' energy: -69.872
flat angles C4'-P-C4' energy: -80.689
flat angles P-C4'-P energy: -43.045
tors. eta vs tors. theta energy: -89.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.118 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 442
Temperature: 1.200000
Total energy: -925.631735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -925.631735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -925.631735 (E_RNA)
where:
Base-Base interactions energy: -625.197
where: short stacking energy: -282.884
Base-Backbone interact. energy: -3.394
local terms energy: -297.039958
where:
bonds (distance) C4'-P energy: -65.468
bonds (distance) P-C4' energy: -63.223
flat angles C4'-P-C4' energy: -60.860
flat angles P-C4'-P energy: -46.339
tors. eta vs tors. theta energy: -61.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 442
Temperature: 1.250000
Total energy: -876.184245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -876.184245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -876.184245 (E_RNA)
where:
Base-Base interactions energy: -597.343
where: short stacking energy: -260.109
Base-Backbone interact. energy: 0.125
local terms energy: -278.965500
where:
bonds (distance) C4'-P energy: -46.838
bonds (distance) P-C4' energy: -67.459
flat angles C4'-P-C4' energy: -68.116
flat angles P-C4'-P energy: -37.855
tors. eta vs tors. theta energy: -58.698
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: 9, replica: 8
=====================================
Write number: 442
Temperature: 1.300000
Total energy: -683.601294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -683.601294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -683.601294 (E_RNA)
where:
Base-Base interactions energy: -432.227
where: short stacking energy: -193.196
Base-Backbone interact. energy: -0.900
local terms energy: -250.473746
where:
bonds (distance) C4'-P energy: -56.738
bonds (distance) P-C4' energy: -68.218
flat angles C4'-P-C4' energy: -67.900
flat angles P-C4'-P energy: -29.634
tors. eta vs tors. theta energy: -27.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 442
Temperature: 1.350000
Total energy: -452.092559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.092559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.092559 (E_RNA)
where:
Base-Base interactions energy: -232.797
where: short stacking energy: -125.223
Base-Backbone interact. energy: 2.921
local terms energy: -222.216197
where:
bonds (distance) C4'-P energy: -53.346
bonds (distance) P-C4' energy: -61.609
flat angles C4'-P-C4' energy: -56.179
flat angles P-C4'-P energy: -33.734
tors. eta vs tors. theta energy: -17.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 443
Temperature: 0.900000
Total energy: -1415.673485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1415.673485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1415.673485 (E_RNA)
where:
Base-Base interactions energy: -981.519
where: short stacking energy: -413.190
Base-Backbone interact. energy: -1.227
local terms energy: -432.927315
where:
bonds (distance) C4'-P energy: -79.902
bonds (distance) P-C4' energy: -80.328
flat angles C4'-P-C4' energy: -83.044
flat angles P-C4'-P energy: -71.051
tors. eta vs tors. theta energy: -118.602
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: 5
=====================================
Write number: 443
Temperature: 0.950000
Total energy: -1349.583825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1349.583825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1349.583825 (E_RNA)
where:
Base-Base interactions energy: -957.883
where: short stacking energy: -390.925
Base-Backbone interact. energy: -1.727
local terms energy: -389.973746
where:
bonds (distance) C4'-P energy: -77.768
bonds (distance) P-C4' energy: -68.096
flat angles C4'-P-C4' energy: -79.100
flat angles P-C4'-P energy: -56.280
tors. eta vs tors. theta energy: -108.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 443
Temperature: 1.000000
Total energy: -1283.242782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1283.242782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1283.242782 (E_RNA)
where:
Base-Base interactions energy: -896.251
where: short stacking energy: -367.956
Base-Backbone interact. energy: 1.433
local terms energy: -388.424570
where:
bonds (distance) C4'-P energy: -70.594
bonds (distance) P-C4' energy: -76.261
flat angles C4'-P-C4' energy: -80.856
flat angles P-C4'-P energy: -57.905
tors. eta vs tors. theta energy: -102.809
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: 4, replica: 3
=====================================
Write number: 443
Temperature: 1.050000
Total energy: -1223.379295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1223.379295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1223.379295 (E_RNA)
where:
Base-Base interactions energy: -839.067
where: short stacking energy: -359.404
Base-Backbone interact. energy: -0.456
local terms energy: -383.856088
where:
bonds (distance) C4'-P energy: -69.742
bonds (distance) P-C4' energy: -67.279
flat angles C4'-P-C4' energy: -87.585
flat angles P-C4'-P energy: -58.030
tors. eta vs tors. theta energy: -101.221
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: 9
=====================================
Write number: 443
Temperature: 1.100000
Total energy: -1137.128300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1137.128300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1137.128300 (E_RNA)
where:
Base-Base interactions energy: -764.035
where: short stacking energy: -330.636
Base-Backbone interact. energy: 4.456
local terms energy: -377.549306
where:
bonds (distance) C4'-P energy: -80.439
bonds (distance) P-C4' energy: -72.687
flat angles C4'-P-C4' energy: -84.208
flat angles P-C4'-P energy: -52.591
tors. eta vs tors. theta energy: -87.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 443
Temperature: 1.150000
Total energy: -1015.179161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1015.179161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1015.179161 (E_RNA)
where:
Base-Base interactions energy: -669.530
where: short stacking energy: -309.765
Base-Backbone interact. energy: -0.353
local terms energy: -345.296593
where:
bonds (distance) C4'-P energy: -58.395
bonds (distance) P-C4' energy: -72.398
flat angles C4'-P-C4' energy: -70.671
flat angles P-C4'-P energy: -58.601
tors. eta vs tors. theta energy: -85.232
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: 2
=====================================
Write number: 443
Temperature: 1.200000
Total energy: -927.725792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -927.725792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -927.725792 (E_RNA)
where:
Base-Base interactions energy: -613.949
where: short stacking energy: -277.176
Base-Backbone interact. energy: -1.579
local terms energy: -312.197519
where:
bonds (distance) C4'-P energy: -63.663
bonds (distance) P-C4' energy: -64.899
flat angles C4'-P-C4' energy: -71.667
flat angles P-C4'-P energy: -48.529
tors. eta vs tors. theta energy: -63.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 443
Temperature: 1.250000
Total energy: -849.151639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -849.151639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -849.151639 (E_RNA)
where:
Base-Base interactions energy: -550.930
where: short stacking energy: -248.233
Base-Backbone interact. energy: 3.684
local terms energy: -301.905504
where:
bonds (distance) C4'-P energy: -63.803
bonds (distance) P-C4' energy: -66.279
flat angles C4'-P-C4' energy: -65.076
flat angles P-C4'-P energy: -48.395
tors. eta vs tors. theta energy: -58.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 443
Temperature: 1.300000
Total energy: -689.030730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -689.030730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -689.030730 (E_RNA)
where:
Base-Base interactions energy: -421.816
where: short stacking energy: -203.195
Base-Backbone interact. energy: -1.117
local terms energy: -266.097287
where:
bonds (distance) C4'-P energy: -41.099
bonds (distance) P-C4' energy: -82.909
flat angles C4'-P-C4' energy: -69.802
flat angles P-C4'-P energy: -41.198
tors. eta vs tors. theta energy: -31.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 443
Temperature: 1.350000
Total energy: -422.284171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.284171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.284171 (E_RNA)
where:
Base-Base interactions energy: -213.892
where: short stacking energy: -137.727
Base-Backbone interact. energy: 2.835
local terms energy: -211.227361
where:
bonds (distance) C4'-P energy: -64.334
bonds (distance) P-C4' energy: -66.183
flat angles C4'-P-C4' energy: -49.953
flat angles P-C4'-P energy: -37.606
tors. eta vs tors. theta energy: 6.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 444
Temperature: 0.900000
Total energy: -1396.294762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1396.294762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1396.294762 (E_RNA)
where:
Base-Base interactions energy: -975.492
where: short stacking energy: -425.603
Base-Backbone interact. energy: -0.840
local terms energy: -419.962067
where:
bonds (distance) C4'-P energy: -70.267
bonds (distance) P-C4' energy: -68.715
flat angles C4'-P-C4' energy: -90.070
flat angles P-C4'-P energy: -69.212
tors. eta vs tors. theta energy: -121.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 444
Temperature: 0.950000
Total energy: -1366.637810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1366.637810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1366.637810 (E_RNA)
where:
Base-Base interactions energy: -950.087
where: short stacking energy: -398.651
Base-Backbone interact. energy: -1.406
local terms energy: -415.143967
where:
bonds (distance) C4'-P energy: -79.694
bonds (distance) P-C4' energy: -71.518
flat angles C4'-P-C4' energy: -87.053
flat angles P-C4'-P energy: -61.999
tors. eta vs tors. theta energy: -114.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 444
Temperature: 1.000000
Total energy: -1285.039768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1285.039768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1285.039768 (E_RNA)
where:
Base-Base interactions energy: -899.315
where: short stacking energy: -353.847
Base-Backbone interact. energy: -0.959
local terms energy: -384.765811
where:
bonds (distance) C4'-P energy: -67.352
bonds (distance) P-C4' energy: -81.663
flat angles C4'-P-C4' energy: -88.998
flat angles P-C4'-P energy: -49.127
tors. eta vs tors. theta energy: -97.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 444
Temperature: 1.050000
Total energy: -1241.487166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1241.487166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1241.487166 (E_RNA)
where:
Base-Base interactions energy: -834.592
where: short stacking energy: -358.235
Base-Backbone interact. energy: 1.253
local terms energy: -408.148477
where:
bonds (distance) C4'-P energy: -74.731
bonds (distance) P-C4' energy: -77.038
flat angles C4'-P-C4' energy: -83.335
flat angles P-C4'-P energy: -55.951
tors. eta vs tors. theta energy: -117.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 444
Temperature: 1.100000
Total energy: -1174.162533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1174.162533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1174.162533 (E_RNA)
where:
Base-Base interactions energy: -790.798
where: short stacking energy: -360.026
Base-Backbone interact. energy: -1.249
local terms energy: -382.115169
where:
bonds (distance) C4'-P energy: -66.785
bonds (distance) P-C4' energy: -76.825
flat angles C4'-P-C4' energy: -73.356
flat angles P-C4'-P energy: -58.389
tors. eta vs tors. theta energy: -106.760
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: 6, replica: 1
=====================================
Write number: 444
Temperature: 1.150000
Total energy: -1024.973939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1024.973939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1024.973939 (E_RNA)
where:
Base-Base interactions energy: -700.844
where: short stacking energy: -322.971
Base-Backbone interact. energy: -0.211
local terms energy: -323.919686
where:
bonds (distance) C4'-P energy: -62.566
bonds (distance) P-C4' energy: -69.725
flat angles C4'-P-C4' energy: -73.001
flat angles P-C4'-P energy: -43.138
tors. eta vs tors. theta energy: -75.489
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: 2
=====================================
Write number: 444
Temperature: 1.200000
Total energy: -902.352404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -902.352404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -902.352404 (E_RNA)
where:
Base-Base interactions energy: -599.813
where: short stacking energy: -269.569
Base-Backbone interact. energy: 1.917
local terms energy: -304.456122
where:
bonds (distance) C4'-P energy: -62.288
bonds (distance) P-C4' energy: -67.159
flat angles C4'-P-C4' energy: -68.306
flat angles P-C4'-P energy: -48.184
tors. eta vs tors. theta energy: -58.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 444
Temperature: 1.250000
Total energy: -824.707434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -824.707434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -824.707434 (E_RNA)
where:
Base-Base interactions energy: -531.934
where: short stacking energy: -247.178
Base-Backbone interact. energy: 0.391
local terms energy: -293.164776
where:
bonds (distance) C4'-P energy: -67.952
bonds (distance) P-C4' energy: -61.473
flat angles C4'-P-C4' energy: -76.118
flat angles P-C4'-P energy: -39.576
tors. eta vs tors. theta energy: -48.045
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: 9, replica: 8
=====================================
Write number: 444
Temperature: 1.300000
Total energy: -659.070007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -659.070007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -659.070007 (E_RNA)
where:
Base-Base interactions energy: -383.701
where: short stacking energy: -175.127
Base-Backbone interact. energy: -0.561
local terms energy: -274.807782
where:
bonds (distance) C4'-P energy: -67.631
bonds (distance) P-C4' energy: -75.592
flat angles C4'-P-C4' energy: -55.516
flat angles P-C4'-P energy: -32.091
tors. eta vs tors. theta energy: -43.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 444
Temperature: 1.350000
Total energy: -471.530614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.530614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.530614 (E_RNA)
where:
Base-Base interactions energy: -240.203
where: short stacking energy: -127.280
Base-Backbone interact. energy: -0.376
local terms energy: -230.952124
where:
bonds (distance) C4'-P energy: -67.294
bonds (distance) P-C4' energy: -69.776
flat angles C4'-P-C4' energy: -54.545
flat angles P-C4'-P energy: -34.508
tors. eta vs tors. theta energy: -4.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 445
Temperature: 0.900000
Total energy: -1414.498841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1414.498841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1414.498841 (E_RNA)
where:
Base-Base interactions energy: -978.505
where: short stacking energy: -413.626
Base-Backbone interact. energy: -0.611
local terms energy: -435.382905
where:
bonds (distance) C4'-P energy: -85.296
bonds (distance) P-C4' energy: -80.949
flat angles C4'-P-C4' energy: -90.402
flat angles P-C4'-P energy: -59.332
tors. eta vs tors. theta energy: -119.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 445
Temperature: 0.950000
Total energy: -1358.462772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1358.462772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1358.462772 (E_RNA)
where:
Base-Base interactions energy: -932.057
where: short stacking energy: -395.226
Base-Backbone interact. energy: 1.745
local terms energy: -428.150753
where:
bonds (distance) C4'-P energy: -78.487
bonds (distance) P-C4' energy: -78.285
flat angles C4'-P-C4' energy: -90.566
flat angles P-C4'-P energy: -65.304
tors. eta vs tors. theta energy: -115.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 445
Temperature: 1.000000
Total energy: -1270.781678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1270.781678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1270.781678 (E_RNA)
where:
Base-Base interactions energy: -882.415
where: short stacking energy: -358.784
Base-Backbone interact. energy: -4.155
local terms energy: -384.211210
where:
bonds (distance) C4'-P energy: -75.141
bonds (distance) P-C4' energy: -74.194
flat angles C4'-P-C4' energy: -81.695
flat angles P-C4'-P energy: -57.018
tors. eta vs tors. theta energy: -96.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 445
Temperature: 1.050000
Total energy: -1205.578764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1205.578764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1205.578764 (E_RNA)
where:
Base-Base interactions energy: -815.619
where: short stacking energy: -365.684
Base-Backbone interact. energy: 2.676
local terms energy: -392.636024
where:
bonds (distance) C4'-P energy: -78.985
bonds (distance) P-C4' energy: -77.757
flat angles C4'-P-C4' energy: -86.325
flat angles P-C4'-P energy: -47.841
tors. eta vs tors. theta energy: -101.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 445
Temperature: 1.100000
Total energy: -1168.649835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1168.649835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1168.649835 (E_RNA)
where:
Base-Base interactions energy: -806.538
where: short stacking energy: -337.226
Base-Backbone interact. energy: 1.315
local terms energy: -363.427095
where:
bonds (distance) C4'-P energy: -57.402
bonds (distance) P-C4' energy: -65.104
flat angles C4'-P-C4' energy: -87.985
flat angles P-C4'-P energy: -52.741
tors. eta vs tors. theta energy: -100.195
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: 1
=====================================
Write number: 445
Temperature: 1.150000
Total energy: -1042.775696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1042.775696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1042.775696 (E_RNA)
where:
Base-Base interactions energy: -697.675
where: short stacking energy: -307.889
Base-Backbone interact. energy: 1.611
local terms energy: -346.711839
where:
bonds (distance) C4'-P energy: -68.457
bonds (distance) P-C4' energy: -67.977
flat angles C4'-P-C4' energy: -69.918
flat angles P-C4'-P energy: -54.552
tors. eta vs tors. theta energy: -85.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 445
Temperature: 1.200000
Total energy: -903.557938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -903.557938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -903.557938 (E_RNA)
where:
Base-Base interactions energy: -612.120
where: short stacking energy: -259.676
Base-Backbone interact. energy: 1.642
local terms energy: -293.080438
where:
bonds (distance) C4'-P energy: -68.019
bonds (distance) P-C4' energy: -70.337
flat angles C4'-P-C4' energy: -64.554
flat angles P-C4'-P energy: -37.763
tors. eta vs tors. theta energy: -52.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 445
Temperature: 1.250000
Total energy: -827.917906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -827.917906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -827.917906 (E_RNA)
where:
Base-Base interactions energy: -562.613
where: short stacking energy: -241.775
Base-Backbone interact. energy: -0.944
local terms energy: -264.361556
where:
bonds (distance) C4'-P energy: -64.928
bonds (distance) P-C4' energy: -65.428
flat angles C4'-P-C4' energy: -53.095
flat angles P-C4'-P energy: -39.184
tors. eta vs tors. theta energy: -41.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 445
Temperature: 1.300000
Total energy: -695.287657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -695.287657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -695.287657 (E_RNA)
where:
Base-Base interactions energy: -399.588
where: short stacking energy: -218.182
Base-Backbone interact. energy: -2.372
local terms energy: -293.327897
where:
bonds (distance) C4'-P energy: -72.249
bonds (distance) P-C4' energy: -69.128
flat angles C4'-P-C4' energy: -64.010
flat angles P-C4'-P energy: -45.976
tors. eta vs tors. theta energy: -41.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 445
Temperature: 1.350000
Total energy: -514.816033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.816033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.816033 (E_RNA)
where:
Base-Base interactions energy: -284.580
where: short stacking energy: -130.867
Base-Backbone interact. energy: 1.886
local terms energy: -232.121622
where:
bonds (distance) C4'-P energy: -69.662
bonds (distance) P-C4' energy: -76.185
flat angles C4'-P-C4' energy: -48.273
flat angles P-C4'-P energy: -36.433
tors. eta vs tors. theta energy: -1.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 446
Temperature: 0.900000
Total energy: -1376.854368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1376.854368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1376.854368 (E_RNA)
where:
Base-Base interactions energy: -969.639
where: short stacking energy: -414.937
Base-Backbone interact. energy: -2.915
local terms energy: -404.301025
where:
bonds (distance) C4'-P energy: -74.381
bonds (distance) P-C4' energy: -77.926
flat angles C4'-P-C4' energy: -84.406
flat angles P-C4'-P energy: -57.280
tors. eta vs tors. theta energy: -110.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 446
Temperature: 0.950000
Total energy: -1357.985276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1357.985276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1357.985276 (E_RNA)
where:
Base-Base interactions energy: -928.945
where: short stacking energy: -392.353
Base-Backbone interact. energy: -3.332
local terms energy: -425.708103
where:
bonds (distance) C4'-P energy: -75.977
bonds (distance) P-C4' energy: -82.491
flat angles C4'-P-C4' energy: -88.615
flat angles P-C4'-P energy: -59.602
tors. eta vs tors. theta energy: -119.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 446
Temperature: 1.000000
Total energy: -1259.926004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1259.926004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1259.926004 (E_RNA)
where:
Base-Base interactions energy: -888.111
where: short stacking energy: -352.960
Base-Backbone interact. energy: -3.757
local terms energy: -368.058202
where:
bonds (distance) C4'-P energy: -63.931
bonds (distance) P-C4' energy: -71.534
flat angles C4'-P-C4' energy: -82.087
flat angles P-C4'-P energy: -58.140
tors. eta vs tors. theta energy: -92.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 446
Temperature: 1.050000
Total energy: -1249.303439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1249.303439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1249.303439 (E_RNA)
where:
Base-Base interactions energy: -854.485
where: short stacking energy: -365.733
Base-Backbone interact. energy: -1.263
local terms energy: -393.555348
where:
bonds (distance) C4'-P energy: -80.698
bonds (distance) P-C4' energy: -59.199
flat angles C4'-P-C4' energy: -76.839
flat angles P-C4'-P energy: -58.953
tors. eta vs tors. theta energy: -117.866
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: 5, replica: 1
=====================================
Write number: 446
Temperature: 1.100000
Total energy: -1089.864878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1089.864878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1089.864878 (E_RNA)
where:
Base-Base interactions energy: -744.070
where: short stacking energy: -323.408
Base-Backbone interact. energy: 0.654
local terms energy: -346.448830
where:
bonds (distance) C4'-P energy: -61.540
bonds (distance) P-C4' energy: -70.315
flat angles C4'-P-C4' energy: -79.446
flat angles P-C4'-P energy: -54.059
tors. eta vs tors. theta energy: -81.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 446
Temperature: 1.150000
Total energy: -1099.024980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1099.024980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1099.024980 (E_RNA)
where:
Base-Base interactions energy: -758.363
where: short stacking energy: -341.189
Base-Backbone interact. energy: 2.876
local terms energy: -343.538252
where:
bonds (distance) C4'-P energy: -62.348
bonds (distance) P-C4' energy: -79.656
flat angles C4'-P-C4' energy: -82.058
flat angles P-C4'-P energy: -38.319
tors. eta vs tors. theta energy: -81.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 446
Temperature: 1.200000
Total energy: -933.492791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -933.492791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -933.492791 (E_RNA)
where:
Base-Base interactions energy: -606.861
where: short stacking energy: -280.134
Base-Backbone interact. energy: -0.259
local terms energy: -326.372719
where:
bonds (distance) C4'-P energy: -68.855
bonds (distance) P-C4' energy: -68.066
flat angles C4'-P-C4' energy: -83.282
flat angles P-C4'-P energy: -36.730
tors. eta vs tors. theta energy: -69.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 446
Temperature: 1.250000
Total energy: -816.196066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -816.196066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -816.196066 (E_RNA)
where:
Base-Base interactions energy: -522.442
where: short stacking energy: -241.830
Base-Backbone interact. energy: 0.283
local terms energy: -294.037130
where:
bonds (distance) C4'-P energy: -78.388
bonds (distance) P-C4' energy: -59.785
flat angles C4'-P-C4' energy: -75.532
flat angles P-C4'-P energy: -38.652
tors. eta vs tors. theta energy: -41.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 446
Temperature: 1.300000
Total energy: -566.907432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -566.907432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -566.907432 (E_RNA)
where:
Base-Base interactions energy: -331.738
where: short stacking energy: -164.825
Base-Backbone interact. energy: -1.529
local terms energy: -233.688937
where:
bonds (distance) C4'-P energy: -52.483
bonds (distance) P-C4' energy: -67.735
flat angles C4'-P-C4' energy: -57.085
flat angles P-C4'-P energy: -45.131
tors. eta vs tors. theta energy: -11.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.049 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 446
Temperature: 1.350000
Total energy: -656.177819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -656.177819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -656.177819 (E_RNA)
where:
Base-Base interactions energy: -403.709
where: short stacking energy: -182.022
Base-Backbone interact. energy: -2.169
local terms energy: -250.300429
where:
bonds (distance) C4'-P energy: -46.202
bonds (distance) P-C4' energy: -79.081
flat angles C4'-P-C4' energy: -55.601
flat angles P-C4'-P energy: -34.552
tors. eta vs tors. theta energy: -34.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 447
Temperature: 0.900000
Total energy: -1387.841172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1387.841172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1387.841172 (E_RNA)
where:
Base-Base interactions energy: -979.517
where: short stacking energy: -401.371
Base-Backbone interact. energy: -2.005
local terms energy: -406.319369
where:
bonds (distance) C4'-P energy: -72.436
bonds (distance) P-C4' energy: -71.094
flat angles C4'-P-C4' energy: -88.389
flat angles P-C4'-P energy: -64.710
tors. eta vs tors. theta energy: -109.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 447
Temperature: 0.950000
Total energy: -1362.392371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1362.392371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1362.392371 (E_RNA)
where:
Base-Base interactions energy: -941.091
where: short stacking energy: -404.013
Base-Backbone interact. energy: -0.461
local terms energy: -420.840248
where:
bonds (distance) C4'-P energy: -70.484
bonds (distance) P-C4' energy: -83.585
flat angles C4'-P-C4' energy: -86.583
flat angles P-C4'-P energy: -61.788
tors. eta vs tors. theta energy: -118.401
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: 3, replica: 4
=====================================
Write number: 447
Temperature: 1.000000
Total energy: -1266.932058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1266.932058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1266.932058 (E_RNA)
where:
Base-Base interactions energy: -901.466
where: short stacking energy: -353.168
Base-Backbone interact. energy: 2.295
local terms energy: -367.760449
where:
bonds (distance) C4'-P energy: -80.376
bonds (distance) P-C4' energy: -73.276
flat angles C4'-P-C4' energy: -78.569
flat angles P-C4'-P energy: -49.606
tors. eta vs tors. theta energy: -85.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 447
Temperature: 1.050000
Total energy: -1235.088942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1235.088942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1235.088942 (E_RNA)
where:
Base-Base interactions energy: -860.029
where: short stacking energy: -379.540
Base-Backbone interact. energy: -0.356
local terms energy: -374.703955
where:
bonds (distance) C4'-P energy: -70.093
bonds (distance) P-C4' energy: -74.421
flat angles C4'-P-C4' energy: -75.735
flat angles P-C4'-P energy: -50.309
tors. eta vs tors. theta energy: -104.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 447
Temperature: 1.100000
Total energy: -1105.832419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1105.832419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1105.832419 (E_RNA)
where:
Base-Base interactions energy: -754.558
where: short stacking energy: -333.565
Base-Backbone interact. energy: -2.908
local terms energy: -348.366636
where:
bonds (distance) C4'-P energy: -71.081
bonds (distance) P-C4' energy: -49.100
flat angles C4'-P-C4' energy: -82.962
flat angles P-C4'-P energy: -50.771
tors. eta vs tors. theta energy: -94.453
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: 9
=====================================
Write number: 447
Temperature: 1.150000
Total energy: -1049.756006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1049.756006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1049.756006 (E_RNA)
where:
Base-Base interactions energy: -723.526
where: short stacking energy: -318.279
Base-Backbone interact. energy: -2.153
local terms energy: -324.077286
where:
bonds (distance) C4'-P energy: -56.908
bonds (distance) P-C4' energy: -72.866
flat angles C4'-P-C4' energy: -78.379
flat angles P-C4'-P energy: -30.397
tors. eta vs tors. theta energy: -85.528
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: 2
=====================================
Write number: 447
Temperature: 1.200000
Total energy: -906.657745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -906.657745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -906.657745 (E_RNA)
where:
Base-Base interactions energy: -598.016
where: short stacking energy: -256.641
Base-Backbone interact. energy: -0.821
local terms energy: -307.821203
where:
bonds (distance) C4'-P energy: -59.540
bonds (distance) P-C4' energy: -66.439
flat angles C4'-P-C4' energy: -76.019
flat angles P-C4'-P energy: -46.753
tors. eta vs tors. theta energy: -59.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 447
Temperature: 1.250000
Total energy: -819.446203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -819.446203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -819.446203 (E_RNA)
where:
Base-Base interactions energy: -538.893
where: short stacking energy: -221.147
Base-Backbone interact. energy: -2.616
local terms energy: -277.936815
where:
bonds (distance) C4'-P energy: -60.869
bonds (distance) P-C4' energy: -61.447
flat angles C4'-P-C4' energy: -67.913
flat angles P-C4'-P energy: -42.251
tors. eta vs tors. theta energy: -45.458
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: 9, replica: 6
=====================================
Write number: 447
Temperature: 1.300000
Total energy: -570.702786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -570.702786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -570.702786 (E_RNA)
where:
Base-Base interactions energy: -337.708
where: short stacking energy: -177.215
Base-Backbone interact. energy: 1.190
local terms energy: -234.184466
where:
bonds (distance) C4'-P energy: -60.483
bonds (distance) P-C4' energy: -65.346
flat angles C4'-P-C4' energy: -47.409
flat angles P-C4'-P energy: -40.524
tors. eta vs tors. theta energy: -20.423
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: 10, replica: 8
=====================================
Write number: 447
Temperature: 1.350000
Total energy: -667.123860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -667.123860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -667.123860 (E_RNA)
where:
Base-Base interactions energy: -389.166
where: short stacking energy: -172.021
Base-Backbone interact. energy: -0.551
local terms energy: -277.406992
where:
bonds (distance) C4'-P energy: -59.140
bonds (distance) P-C4' energy: -75.020
flat angles C4'-P-C4' energy: -61.990
flat angles P-C4'-P energy: -40.860
tors. eta vs tors. theta energy: -40.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 448
Temperature: 0.900000
Total energy: -1391.138144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1391.138144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1391.138144 (E_RNA)
where:
Base-Base interactions energy: -986.183
where: short stacking energy: -388.578
Base-Backbone interact. energy: -0.780
local terms energy: -404.175008
where:
bonds (distance) C4'-P energy: -81.082
bonds (distance) P-C4' energy: -71.572
flat angles C4'-P-C4' energy: -84.494
flat angles P-C4'-P energy: -62.204
tors. eta vs tors. theta energy: -104.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 448
Temperature: 0.950000
Total energy: -1350.770238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1350.770238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1350.770238 (E_RNA)
where:
Base-Base interactions energy: -947.388
where: short stacking energy: -391.367
Base-Backbone interact. energy: -0.874
local terms energy: -402.508889
where:
bonds (distance) C4'-P energy: -67.418
bonds (distance) P-C4' energy: -81.187
flat angles C4'-P-C4' energy: -88.804
flat angles P-C4'-P energy: -52.901
tors. eta vs tors. theta energy: -112.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 448
Temperature: 1.000000
Total energy: -1305.322163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1305.322163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1305.322163 (E_RNA)
where:
Base-Base interactions energy: -918.369
where: short stacking energy: -354.809
Base-Backbone interact. energy: -2.321
local terms energy: -384.631479
where:
bonds (distance) C4'-P energy: -72.768
bonds (distance) P-C4' energy: -71.549
flat angles C4'-P-C4' energy: -84.719
flat angles P-C4'-P energy: -52.384
tors. eta vs tors. theta energy: -103.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 448
Temperature: 1.050000
Total energy: -1230.390913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1230.390913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1230.390913 (E_RNA)
where:
Base-Base interactions energy: -843.708
where: short stacking energy: -370.346
Base-Backbone interact. energy: -0.683
local terms energy: -385.999786
where:
bonds (distance) C4'-P energy: -69.007
bonds (distance) P-C4' energy: -67.105
flat angles C4'-P-C4' energy: -78.323
flat angles P-C4'-P energy: -57.059
tors. eta vs tors. theta energy: -114.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 448
Temperature: 1.100000
Total energy: -1121.415665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1121.415665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1121.415665 (E_RNA)
where:
Base-Base interactions energy: -767.155
where: short stacking energy: -330.671
Base-Backbone interact. energy: 1.494
local terms energy: -355.754038
where:
bonds (distance) C4'-P energy: -62.481
bonds (distance) P-C4' energy: -78.664
flat angles C4'-P-C4' energy: -78.761
flat angles P-C4'-P energy: -47.670
tors. eta vs tors. theta energy: -88.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 448
Temperature: 1.150000
Total energy: -1055.495456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1055.495456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1055.495456 (E_RNA)
where:
Base-Base interactions energy: -708.849
where: short stacking energy: -298.403
Base-Backbone interact. energy: -1.879
local terms energy: -344.767154
where:
bonds (distance) C4'-P energy: -62.828
bonds (distance) P-C4' energy: -76.815
flat angles C4'-P-C4' energy: -70.908
flat angles P-C4'-P energy: -57.044
tors. eta vs tors. theta energy: -77.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 448
Temperature: 1.200000
Total energy: -914.738515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -914.738515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -914.738515 (E_RNA)
where:
Base-Base interactions energy: -581.225
where: short stacking energy: -247.278
Base-Backbone interact. energy: -2.978
local terms energy: -330.535410
where:
bonds (distance) C4'-P energy: -75.749
bonds (distance) P-C4' energy: -76.965
flat angles C4'-P-C4' energy: -69.017
flat angles P-C4'-P energy: -49.032
tors. eta vs tors. theta energy: -59.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 448
Temperature: 1.250000
Total energy: -846.407711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -846.407711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -846.407711 (E_RNA)
where:
Base-Base interactions energy: -541.547
where: short stacking energy: -226.368
Base-Backbone interact. energy: 1.848
local terms energy: -306.708012
where:
bonds (distance) C4'-P energy: -73.335
bonds (distance) P-C4' energy: -68.938
flat angles C4'-P-C4' energy: -73.268
flat angles P-C4'-P energy: -36.287
tors. eta vs tors. theta energy: -54.880
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: 9, replica: 8
=====================================
Write number: 448
Temperature: 1.300000
Total energy: -629.782351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -629.782351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -629.782351 (E_RNA)
where:
Base-Base interactions energy: -371.587
where: short stacking energy: -177.995
Base-Backbone interact. energy: -1.230
local terms energy: -256.965280
where:
bonds (distance) C4'-P energy: -64.079
bonds (distance) P-C4' energy: -71.030
flat angles C4'-P-C4' energy: -57.100
flat angles P-C4'-P energy: -41.626
tors. eta vs tors. theta energy: -23.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 448
Temperature: 1.350000
Total energy: -506.591173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.591173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.591173 (E_RNA)
where:
Base-Base interactions energy: -276.014
where: short stacking energy: -146.948
Base-Backbone interact. energy: 0.627
local terms energy: -231.204963
where:
bonds (distance) C4'-P energy: -62.169
bonds (distance) P-C4' energy: -80.838
flat angles C4'-P-C4' energy: -59.491
flat angles P-C4'-P energy: -15.235
tors. eta vs tors. theta energy: -13.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 449
Temperature: 0.900000
Total energy: -1406.532621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1406.532621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1406.532621 (E_RNA)
where:
Base-Base interactions energy: -994.927
where: short stacking energy: -396.344
Base-Backbone interact. energy: -4.666
local terms energy: -406.940020
where:
bonds (distance) C4'-P energy: -76.568
bonds (distance) P-C4' energy: -85.397
flat angles C4'-P-C4' energy: -81.243
flat angles P-C4'-P energy: -58.974
tors. eta vs tors. theta energy: -104.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 449
Temperature: 0.950000
Total energy: -1356.086360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1356.086360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1356.086360 (E_RNA)
where:
Base-Base interactions energy: -948.652
where: short stacking energy: -401.535
Base-Backbone interact. energy: 0.171
local terms energy: -407.605583
where:
bonds (distance) C4'-P energy: -85.162
bonds (distance) P-C4' energy: -72.914
flat angles C4'-P-C4' energy: -91.511
flat angles P-C4'-P energy: -56.021
tors. eta vs tors. theta energy: -101.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 449
Temperature: 1.000000
Total energy: -1299.300617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1299.300617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1299.300617 (E_RNA)
where:
Base-Base interactions energy: -911.408
where: short stacking energy: -365.864
Base-Backbone interact. energy: -0.919
local terms energy: -386.973762
where:
bonds (distance) C4'-P energy: -70.036
bonds (distance) P-C4' energy: -77.321
flat angles C4'-P-C4' energy: -84.105
flat angles P-C4'-P energy: -59.816
tors. eta vs tors. theta energy: -95.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 449
Temperature: 1.050000
Total energy: -1223.605504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1223.605504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1223.605504 (E_RNA)
where:
Base-Base interactions energy: -822.363
where: short stacking energy: -347.571
Base-Backbone interact. energy: 0.015
local terms energy: -401.257626
where:
bonds (distance) C4'-P energy: -77.801
bonds (distance) P-C4' energy: -82.300
flat angles C4'-P-C4' energy: -77.340
flat angles P-C4'-P energy: -54.353
tors. eta vs tors. theta energy: -109.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 449
Temperature: 1.100000
Total energy: -1152.226082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1152.226082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1152.226082 (E_RNA)
where:
Base-Base interactions energy: -774.197
where: short stacking energy: -332.792
Base-Backbone interact. energy: -1.293
local terms energy: -376.735573
where:
bonds (distance) C4'-P energy: -74.858
bonds (distance) P-C4' energy: -71.549
flat angles C4'-P-C4' energy: -83.903
flat angles P-C4'-P energy: -55.257
tors. eta vs tors. theta energy: -91.168
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: 6, replica: 1
=====================================
Write number: 449
Temperature: 1.150000
Total energy: -1042.725136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1042.725136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1042.725136 (E_RNA)
where:
Base-Base interactions energy: -721.324
where: short stacking energy: -308.394
Base-Backbone interact. energy: -1.461
local terms energy: -319.940220
where:
bonds (distance) C4'-P energy: -51.357
bonds (distance) P-C4' energy: -65.423
flat angles C4'-P-C4' energy: -75.833
flat angles P-C4'-P energy: -54.629
tors. eta vs tors. theta energy: -72.699
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: 2
=====================================
Write number: 449
Temperature: 1.200000
Total energy: -901.109238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -901.109238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -901.109238 (E_RNA)
where:
Base-Base interactions energy: -578.763
where: short stacking energy: -265.326
Base-Backbone interact. energy: 0.235
local terms energy: -322.581272
where:
bonds (distance) C4'-P energy: -66.908
bonds (distance) P-C4' energy: -69.081
flat angles C4'-P-C4' energy: -79.912
flat angles P-C4'-P energy: -46.476
tors. eta vs tors. theta energy: -60.205
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: 10
=====================================
Write number: 449
Temperature: 1.250000
Total energy: -854.935449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -854.935449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -854.935449 (E_RNA)
where:
Base-Base interactions energy: -580.095
where: short stacking energy: -254.648
Base-Backbone interact. energy: -0.620
local terms energy: -274.220309
where:
bonds (distance) C4'-P energy: -67.536
bonds (distance) P-C4' energy: -53.577
flat angles C4'-P-C4' energy: -59.406
flat angles P-C4'-P energy: -37.446
tors. eta vs tors. theta energy: -56.256
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: 8
=====================================
Write number: 449
Temperature: 1.300000
Total energy: -711.983674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -711.983674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -711.983674 (E_RNA)
where:
Base-Base interactions energy: -454.566
where: short stacking energy: -203.824
Base-Backbone interact. energy: 2.553
local terms energy: -259.970734
where:
bonds (distance) C4'-P energy: -58.821
bonds (distance) P-C4' energy: -68.095
flat angles C4'-P-C4' energy: -62.200
flat angles P-C4'-P energy: -35.961
tors. eta vs tors. theta energy: -34.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 449
Temperature: 1.350000
Total energy: -497.101187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.101187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.101187 (E_RNA)
where:
Base-Base interactions energy: -260.546
where: short stacking energy: -135.442
Base-Backbone interact. energy: -0.905
local terms energy: -235.650504
where:
bonds (distance) C4'-P energy: -59.827
bonds (distance) P-C4' energy: -71.782
flat angles C4'-P-C4' energy: -50.498
flat angles P-C4'-P energy: -44.922
tors. eta vs tors. theta energy: -8.622
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: 450
Temperature: 0.900000
Total energy: -1392.444808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1392.444808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1392.444808 (E_RNA)
where:
Base-Base interactions energy: -969.143
where: short stacking energy: -378.243
Base-Backbone interact. energy: -3.828
local terms energy: -419.474299
where:
bonds (distance) C4'-P energy: -76.880
bonds (distance) P-C4' energy: -89.379
flat angles C4'-P-C4' energy: -85.005
flat angles P-C4'-P energy: -60.453
tors. eta vs tors. theta energy: -107.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 450
Temperature: 0.950000
Total energy: -1329.192315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1329.192315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1329.192315 (E_RNA)
where:
Base-Base interactions energy: -931.444
where: short stacking energy: -390.685
Base-Backbone interact. energy: -0.628
local terms energy: -397.120393
where:
bonds (distance) C4'-P energy: -73.965
bonds (distance) P-C4' energy: -60.165
flat angles C4'-P-C4' energy: -91.027
flat angles P-C4'-P energy: -60.614
tors. eta vs tors. theta energy: -111.350
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: 3, replica: 4
=====================================
Write number: 450
Temperature: 1.000000
Total energy: -1261.170686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1261.170686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1261.170686 (E_RNA)
where:
Base-Base interactions energy: -894.243
where: short stacking energy: -338.732
Base-Backbone interact. energy: -3.626
local terms energy: -363.301413
where:
bonds (distance) C4'-P energy: -77.711
bonds (distance) P-C4' energy: -65.965
flat angles C4'-P-C4' energy: -79.789
flat angles P-C4'-P energy: -48.396
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: 4, replica: 3
=====================================
Write number: 450
Temperature: 1.050000
Total energy: -1214.856940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1214.856940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1214.856940 (E_RNA)
where:
Base-Base interactions energy: -827.753
where: short stacking energy: -352.126
Base-Backbone interact. energy: -1.780
local terms energy: -385.324109
where:
bonds (distance) C4'-P energy: -78.140
bonds (distance) P-C4' energy: -70.322
flat angles C4'-P-C4' energy: -81.356
flat angles P-C4'-P energy: -56.577
tors. eta vs tors. theta energy: -98.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 450
Temperature: 1.100000
Total energy: -1136.494162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1136.494162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1136.494162 (E_RNA)
where:
Base-Base interactions energy: -761.855
where: short stacking energy: -327.318
Base-Backbone interact. energy: -3.042
local terms energy: -371.596590
where:
bonds (distance) C4'-P energy: -69.895
bonds (distance) P-C4' energy: -72.676
flat angles C4'-P-C4' energy: -81.615
flat angles P-C4'-P energy: -47.790
tors. eta vs tors. theta energy: -99.621
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: 6, replica: 1
=====================================
Write number: 450
Temperature: 1.150000
Total energy: -1099.604544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1099.604544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1099.604544 (E_RNA)
where:
Base-Base interactions energy: -749.816
where: short stacking energy: -320.821
Base-Backbone interact. energy: 3.081
local terms energy: -352.869002
where:
bonds (distance) C4'-P energy: -59.036
bonds (distance) P-C4' energy: -85.451
flat angles C4'-P-C4' energy: -70.210
flat angles P-C4'-P energy: -49.719
tors. eta vs tors. theta energy: -88.454
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: 10
=====================================
Write number: 450
Temperature: 1.200000
Total energy: -895.439033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -895.439033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -895.439033 (E_RNA)
where:
Base-Base interactions energy: -597.126
where: short stacking energy: -256.530
Base-Backbone interact. energy: -1.643
local terms energy: -296.669518
where:
bonds (distance) C4'-P energy: -61.462
bonds (distance) P-C4' energy: -61.493
flat angles C4'-P-C4' energy: -60.002
flat angles P-C4'-P energy: -43.812
tors. eta vs tors. theta energy: -69.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 450
Temperature: 1.250000
Total energy: -849.281333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -849.281333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -849.281333 (E_RNA)
where:
Base-Base interactions energy: -557.710
where: short stacking energy: -247.838
Base-Backbone interact. energy: -0.810
local terms energy: -290.761312
where:
bonds (distance) C4'-P energy: -59.267
bonds (distance) P-C4' energy: -68.151
flat angles C4'-P-C4' energy: -77.578
flat angles P-C4'-P energy: -32.484
tors. eta vs tors. theta energy: -53.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 450
Temperature: 1.300000
Total energy: -700.696975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -700.696975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -700.696975 (E_RNA)
where:
Base-Base interactions energy: -436.474
where: short stacking energy: -218.195
Base-Backbone interact. energy: 0.222
local terms energy: -264.445095
where:
bonds (distance) C4'-P energy: -71.904
bonds (distance) P-C4' energy: -67.293
flat angles C4'-P-C4' energy: -61.779
flat angles P-C4'-P energy: -18.316
tors. eta vs tors. theta energy: -45.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 450
Temperature: 1.350000
Total energy: -469.672982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.672982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.672982 (E_RNA)
where:
Base-Base interactions energy: -258.762
where: short stacking energy: -148.963
Base-Backbone interact. energy: 1.572
local terms energy: -212.483361
where:
bonds (distance) C4'-P energy: -51.639
bonds (distance) P-C4' energy: -71.669
flat angles C4'-P-C4' energy: -37.817
flat angles P-C4'-P energy: -31.135
tors. eta vs tors. theta energy: -20.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 451
Temperature: 0.900000
Total energy: -1417.721303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1417.721303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1417.721303 (E_RNA)
where:
Base-Base interactions energy: -995.604
where: short stacking energy: -391.982
Base-Backbone interact. energy: -2.986
local terms energy: -419.131380
where:
bonds (distance) C4'-P energy: -81.031
bonds (distance) P-C4' energy: -77.566
flat angles C4'-P-C4' energy: -93.946
flat angles P-C4'-P energy: -58.159
tors. eta vs tors. theta energy: -108.429
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: 2, replica: 5
=====================================
Write number: 451
Temperature: 0.950000
Total energy: -1355.338465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1355.338465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1355.338465 (E_RNA)
where:
Base-Base interactions energy: -933.873
where: short stacking energy: -386.494
Base-Backbone interact. energy: -1.632
local terms energy: -419.833760
where:
bonds (distance) C4'-P energy: -67.901
bonds (distance) P-C4' energy: -83.447
flat angles C4'-P-C4' energy: -91.421
flat angles P-C4'-P energy: -56.695
tors. eta vs tors. theta energy: -120.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 451
Temperature: 1.000000
Total energy: -1276.311247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1276.311247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1276.311247 (E_RNA)
where:
Base-Base interactions energy: -916.278
where: short stacking energy: -346.501
Base-Backbone interact. energy: -1.639
local terms energy: -358.394894
where:
bonds (distance) C4'-P energy: -74.017
bonds (distance) P-C4' energy: -75.938
flat angles C4'-P-C4' energy: -60.142
flat angles P-C4'-P energy: -56.942
tors. eta vs tors. theta energy: -91.355
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: 3
=====================================
Write number: 451
Temperature: 1.050000
Total energy: -1207.395648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1207.395648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1207.395648 (E_RNA)
where:
Base-Base interactions energy: -807.769
where: short stacking energy: -350.026
Base-Backbone interact. energy: -1.396
local terms energy: -398.231132
where:
bonds (distance) C4'-P energy: -80.936
bonds (distance) P-C4' energy: -76.472
flat angles C4'-P-C4' energy: -86.229
flat angles P-C4'-P energy: -48.676
tors. eta vs tors. theta energy: -105.918
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: 451
Temperature: 1.100000
Total energy: -1165.346752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1165.346752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1165.346752 (E_RNA)
where:
Base-Base interactions energy: -789.192
where: short stacking energy: -354.026
Base-Backbone interact. energy: 1.573
local terms energy: -377.727220
where:
bonds (distance) C4'-P energy: -77.853
bonds (distance) P-C4' energy: -79.592
flat angles C4'-P-C4' energy: -75.484
flat angles P-C4'-P energy: -43.965
tors. eta vs tors. theta energy: -100.833
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: 1
=====================================
Write number: 451
Temperature: 1.150000
Total energy: -1074.643098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1074.643098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1074.643098 (E_RNA)
where:
Base-Base interactions energy: -720.484
where: short stacking energy: -325.354
Base-Backbone interact. energy: -0.624
local terms energy: -353.534596
where:
bonds (distance) C4'-P energy: -72.402
bonds (distance) P-C4' energy: -71.603
flat angles C4'-P-C4' energy: -62.837
flat angles P-C4'-P energy: -47.224
tors. eta vs tors. theta energy: -99.469
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: 10
=====================================
Write number: 451
Temperature: 1.200000
Total energy: -879.689282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -879.689282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -879.689282 (E_RNA)
where:
Base-Base interactions energy: -586.494
where: short stacking energy: -254.610
Base-Backbone interact. energy: -1.013
local terms energy: -292.181822
where:
bonds (distance) C4'-P energy: -56.360
bonds (distance) P-C4' energy: -64.717
flat angles C4'-P-C4' energy: -79.306
flat angles P-C4'-P energy: -27.402
tors. eta vs tors. theta energy: -64.397
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: 2
=====================================
Write number: 451
Temperature: 1.250000
Total energy: -841.514990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -841.514990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -841.514990 (E_RNA)
where:
Base-Base interactions energy: -545.236
where: short stacking energy: -243.765
Base-Backbone interact. energy: -3.417
local terms energy: -292.862378
where:
bonds (distance) C4'-P energy: -66.154
bonds (distance) P-C4' energy: -61.768
flat angles C4'-P-C4' energy: -67.437
flat angles P-C4'-P energy: -41.569
tors. eta vs tors. theta energy: -55.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 451
Temperature: 1.300000
Total energy: -771.226909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -771.226909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -771.226909 (E_RNA)
where:
Base-Base interactions energy: -498.042
where: short stacking energy: -226.741
Base-Backbone interact. energy: -0.664
local terms energy: -272.521101
where:
bonds (distance) C4'-P energy: -53.310
bonds (distance) P-C4' energy: -71.715
flat angles C4'-P-C4' energy: -59.118
flat angles P-C4'-P energy: -34.534
tors. eta vs tors. theta energy: -53.845
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: 6
=====================================
Write number: 451
Temperature: 1.350000
Total energy: -495.450383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.450383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.450383 (E_RNA)
where:
Base-Base interactions energy: -268.892
where: short stacking energy: -136.539
Base-Backbone interact. energy: 2.582
local terms energy: -229.140434
where:
bonds (distance) C4'-P energy: -59.888
bonds (distance) P-C4' energy: -67.459
flat angles C4'-P-C4' energy: -57.360
flat angles P-C4'-P energy: -43.524
tors. eta vs tors. theta energy: -0.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 452
Temperature: 0.900000
Total energy: -1401.470474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1401.470474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1401.470474 (E_RNA)
where:
Base-Base interactions energy: -991.054
where: short stacking energy: -390.468
Base-Backbone interact. energy: -3.442
local terms energy: -406.973913
where:
bonds (distance) C4'-P energy: -79.650
bonds (distance) P-C4' energy: -81.593
flat angles C4'-P-C4' energy: -84.233
flat angles P-C4'-P energy: -53.413
tors. eta vs tors. theta energy: -108.086
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: 2, replica: 5
=====================================
Write number: 452
Temperature: 0.950000
Total energy: -1367.989022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1367.989022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1367.989022 (E_RNA)
where:
Base-Base interactions energy: -951.421
where: short stacking energy: -398.529
Base-Backbone interact. energy: -0.278
local terms energy: -416.289816
where:
bonds (distance) C4'-P energy: -79.967
bonds (distance) P-C4' energy: -80.181
flat angles C4'-P-C4' energy: -74.916
flat angles P-C4'-P energy: -61.246
tors. eta vs tors. theta energy: -119.981
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: 4
=====================================
Write number: 452
Temperature: 1.000000
Total energy: -1286.181864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1286.181864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1286.181864 (E_RNA)
where:
Base-Base interactions energy: -907.072
where: short stacking energy: -351.593
Base-Backbone interact. energy: -0.236
local terms energy: -378.873565
where:
bonds (distance) C4'-P energy: -74.715
bonds (distance) P-C4' energy: -68.861
flat angles C4'-P-C4' energy: -86.333
flat angles P-C4'-P energy: -54.159
tors. eta vs tors. theta energy: -94.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 452
Temperature: 1.050000
Total energy: -1227.149615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1227.149615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1227.149615 (E_RNA)
where:
Base-Base interactions energy: -851.587
where: short stacking energy: -376.252
Base-Backbone interact. energy: -1.567
local terms energy: -373.995483
where:
bonds (distance) C4'-P energy: -65.808
bonds (distance) P-C4' energy: -69.351
flat angles C4'-P-C4' energy: -82.864
flat angles P-C4'-P energy: -52.700
tors. eta vs tors. theta energy: -103.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 452
Temperature: 1.100000
Total energy: -1143.278728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1143.278728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1143.278728 (E_RNA)
where:
Base-Base interactions energy: -792.949
where: short stacking energy: -331.387
Base-Backbone interact. energy: -0.156
local terms energy: -350.174078
where:
bonds (distance) C4'-P energy: -72.726
bonds (distance) P-C4' energy: -71.461
flat angles C4'-P-C4' energy: -65.014
flat angles P-C4'-P energy: -51.662
tors. eta vs tors. theta energy: -89.312
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: 6, replica: 1
=====================================
Write number: 452
Temperature: 1.150000
Total energy: -1076.754586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1076.754586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1076.754586 (E_RNA)
where:
Base-Base interactions energy: -713.806
where: short stacking energy: -300.673
Base-Backbone interact. energy: -1.879
local terms energy: -361.069011
where:
bonds (distance) C4'-P energy: -64.216
bonds (distance) P-C4' energy: -77.771
flat angles C4'-P-C4' energy: -79.506
flat angles P-C4'-P energy: -48.809
tors. eta vs tors. theta energy: -90.766
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: 7, replica: 2
=====================================
Write number: 452
Temperature: 1.200000
Total energy: -895.682212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -895.682212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -895.682212 (E_RNA)
where:
Base-Base interactions energy: -599.271
where: short stacking energy: -259.087
Base-Backbone interact. energy: -0.612
local terms energy: -295.800145
where:
bonds (distance) C4'-P energy: -74.009
bonds (distance) P-C4' energy: -58.335
flat angles C4'-P-C4' energy: -65.991
flat angles P-C4'-P energy: -40.362
tors. eta vs tors. theta energy: -57.103
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: 10
=====================================
Write number: 452
Temperature: 1.250000
Total energy: -872.379824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -872.379824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -872.379824 (E_RNA)
where:
Base-Base interactions energy: -578.838
where: short stacking energy: -278.776
Base-Backbone interact. energy: -0.487
local terms energy: -293.054981
where:
bonds (distance) C4'-P energy: -51.822
bonds (distance) P-C4' energy: -65.010
flat angles C4'-P-C4' energy: -76.007
flat angles P-C4'-P energy: -32.925
tors. eta vs tors. theta energy: -67.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 452
Temperature: 1.300000
Total energy: -736.707807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -736.707807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -736.707807 (E_RNA)
where:
Base-Base interactions energy: -467.393
where: short stacking energy: -200.550
Base-Backbone interact. energy: 4.213
local terms energy: -273.528135
where:
bonds (distance) C4'-P energy: -62.896
bonds (distance) P-C4' energy: -64.487
flat angles C4'-P-C4' energy: -62.214
flat angles P-C4'-P energy: -44.802
tors. eta vs tors. theta energy: -39.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 452
Temperature: 1.350000
Total energy: -507.014199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.014199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.014199 (E_RNA)
where:
Base-Base interactions energy: -268.756
where: short stacking energy: -140.593
Base-Backbone interact. energy: -0.731
local terms energy: -237.527592
where:
bonds (distance) C4'-P energy: -63.531
bonds (distance) P-C4' energy: -57.966
flat angles C4'-P-C4' energy: -64.661
flat angles P-C4'-P energy: -42.434
tors. eta vs tors. theta energy: -8.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 453
Temperature: 0.900000
Total energy: -1378.214547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1378.214547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1378.214547 (E_RNA)
where:
Base-Base interactions energy: -958.639
where: short stacking energy: -395.205
Base-Backbone interact. energy: -3.484
local terms energy: -416.092024
where:
bonds (distance) C4'-P energy: -83.333
bonds (distance) P-C4' energy: -79.230
flat angles C4'-P-C4' energy: -88.401
flat angles P-C4'-P energy: -65.584
tors. eta vs tors. theta energy: -99.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 453
Temperature: 0.950000
Total energy: -1353.044091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1353.044091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1353.044091 (E_RNA)
where:
Base-Base interactions energy: -947.711
where: short stacking energy: -371.135
Base-Backbone interact. energy: -1.363
local terms energy: -403.970123
where:
bonds (distance) C4'-P energy: -75.731
bonds (distance) P-C4' energy: -71.055
flat angles C4'-P-C4' energy: -86.430
flat angles P-C4'-P energy: -59.122
tors. eta vs tors. theta energy: -111.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 453
Temperature: 1.000000
Total energy: -1314.186899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1314.186899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1314.186899 (E_RNA)
where:
Base-Base interactions energy: -917.744
where: short stacking energy: -357.624
Base-Backbone interact. energy: -3.466
local terms energy: -392.977095
where:
bonds (distance) C4'-P energy: -76.570
bonds (distance) P-C4' energy: -75.514
flat angles C4'-P-C4' energy: -83.650
flat angles P-C4'-P energy: -59.037
tors. eta vs tors. theta energy: -98.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 453
Temperature: 1.050000
Total energy: -1205.297785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1205.297785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1205.297785 (E_RNA)
where:
Base-Base interactions energy: -833.515
where: short stacking energy: -353.050
Base-Backbone interact. energy: -2.347
local terms energy: -369.435775
where:
bonds (distance) C4'-P energy: -66.492
bonds (distance) P-C4' energy: -62.593
flat angles C4'-P-C4' energy: -90.076
flat angles P-C4'-P energy: -50.037
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: 9
=====================================
Write number: 453
Temperature: 1.100000
Total energy: -1130.805654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1130.805654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1130.805654 (E_RNA)
where:
Base-Base interactions energy: -779.555
where: short stacking energy: -340.280
Base-Backbone interact. energy: -0.220
local terms energy: -351.030063
where:
bonds (distance) C4'-P energy: -57.794
bonds (distance) P-C4' energy: -85.630
flat angles C4'-P-C4' energy: -78.213
flat angles P-C4'-P energy: -43.599
tors. eta vs tors. theta energy: -85.794
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: 1
=====================================
Write number: 453
Temperature: 1.150000
Total energy: -1033.041162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1033.041162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1033.041162 (E_RNA)
where:
Base-Base interactions energy: -701.362
where: short stacking energy: -280.831
Base-Backbone interact. energy: -2.457
local terms energy: -329.222153
where:
bonds (distance) C4'-P energy: -67.542
bonds (distance) P-C4' energy: -76.332
flat angles C4'-P-C4' energy: -67.173
flat angles P-C4'-P energy: -36.894
tors. eta vs tors. theta energy: -81.281
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: 2
=====================================
Write number: 453
Temperature: 1.200000
Total energy: -888.341669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -888.341669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -888.341669 (E_RNA)
where:
Base-Base interactions energy: -586.741
where: short stacking energy: -259.192
Base-Backbone interact. energy: -1.375
local terms energy: -300.225774
where:
bonds (distance) C4'-P energy: -62.691
bonds (distance) P-C4' energy: -73.460
flat angles C4'-P-C4' energy: -60.865
flat angles P-C4'-P energy: -46.631
tors. eta vs tors. theta energy: -56.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 453
Temperature: 1.250000
Total energy: -859.789792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -859.789792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -859.789792 (E_RNA)
where:
Base-Base interactions energy: -554.488
where: short stacking energy: -254.378
Base-Backbone interact. energy: 1.474
local terms energy: -306.775728
where:
bonds (distance) C4'-P energy: -58.505
bonds (distance) P-C4' energy: -78.894
flat angles C4'-P-C4' energy: -64.845
flat angles P-C4'-P energy: -38.945
tors. eta vs tors. theta energy: -65.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 453
Temperature: 1.300000
Total energy: -727.309302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -727.309302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -727.309302 (E_RNA)
where:
Base-Base interactions energy: -476.603
where: short stacking energy: -206.999
Base-Backbone interact. energy: -0.739
local terms energy: -249.967915
where:
bonds (distance) C4'-P energy: -68.809
bonds (distance) P-C4' energy: -72.611
flat angles C4'-P-C4' energy: -62.107
flat angles P-C4'-P energy: -24.706
tors. eta vs tors. theta energy: -21.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 453
Temperature: 1.350000
Total energy: -529.444974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.444974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.444974 (E_RNA)
where:
Base-Base interactions energy: -281.685
where: short stacking energy: -128.897
Base-Backbone interact. energy: -0.829
local terms energy: -246.930841
where:
bonds (distance) C4'-P energy: -69.545
bonds (distance) P-C4' energy: -64.832
flat angles C4'-P-C4' energy: -63.616
flat angles P-C4'-P energy: -40.574
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: 7
=====================================
Write number: 454
Temperature: 0.900000
Total energy: -1397.252623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1397.252623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1397.252623 (E_RNA)
where:
Base-Base interactions energy: -998.593
where: short stacking energy: -386.861
Base-Backbone interact. energy: -1.988
local terms energy: -396.671438
where:
bonds (distance) C4'-P energy: -70.472
bonds (distance) P-C4' energy: -83.369
flat angles C4'-P-C4' energy: -81.816
flat angles P-C4'-P energy: -54.667
tors. eta vs tors. theta energy: -106.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 454
Temperature: 0.950000
Total energy: -1345.516757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1345.516757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1345.516757 (E_RNA)
where:
Base-Base interactions energy: -948.171
where: short stacking energy: -381.760
Base-Backbone interact. energy: -0.883
local terms energy: -396.462151
where:
bonds (distance) C4'-P energy: -80.368
bonds (distance) P-C4' energy: -61.092
flat angles C4'-P-C4' energy: -88.379
flat angles P-C4'-P energy: -52.279
tors. eta vs tors. theta energy: -114.345
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: 4
=====================================
Write number: 454
Temperature: 1.000000
Total energy: -1270.926935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1270.926935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1270.926935 (E_RNA)
where:
Base-Base interactions energy: -890.837
where: short stacking energy: -343.972
Base-Backbone interact. energy: -3.177
local terms energy: -376.913615
where:
bonds (distance) C4'-P energy: -68.785
bonds (distance) P-C4' energy: -70.827
flat angles C4'-P-C4' energy: -87.069
flat angles P-C4'-P energy: -60.456
tors. eta vs tors. theta energy: -89.776
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: 3
=====================================
Write number: 454
Temperature: 1.050000
Total energy: -1208.016887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1208.016887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1208.016887 (E_RNA)
where:
Base-Base interactions energy: -840.836
where: short stacking energy: -373.149
Base-Backbone interact. energy: 0.934
local terms energy: -368.115071
where:
bonds (distance) C4'-P energy: -63.432
bonds (distance) P-C4' energy: -68.560
flat angles C4'-P-C4' energy: -73.847
flat angles P-C4'-P energy: -54.043
tors. eta vs tors. theta energy: -108.233
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: 5, replica: 9
=====================================
Write number: 454
Temperature: 1.100000
Total energy: -1182.478431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1182.478431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1182.478431 (E_RNA)
where:
Base-Base interactions energy: -817.154
where: short stacking energy: -337.645
Base-Backbone interact. energy: 0.296
local terms energy: -365.621095
where:
bonds (distance) C4'-P energy: -69.721
bonds (distance) P-C4' energy: -76.801
flat angles C4'-P-C4' energy: -78.527
flat angles P-C4'-P energy: -46.971
tors. eta vs tors. theta energy: -93.600
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: 1
=====================================
Write number: 454
Temperature: 1.150000
Total energy: -1046.747581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1046.747581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1046.747581 (E_RNA)
where:
Base-Base interactions energy: -686.449
where: short stacking energy: -319.838
Base-Backbone interact. energy: -0.122
local terms energy: -360.176520
where:
bonds (distance) C4'-P energy: -79.556
bonds (distance) P-C4' energy: -52.325
flat angles C4'-P-C4' energy: -76.224
flat angles P-C4'-P energy: -62.091
tors. eta vs tors. theta energy: -89.980
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: 7, replica: 10
=====================================
Write number: 454
Temperature: 1.200000
Total energy: -877.674043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -877.674043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -877.674043 (E_RNA)
where:
Base-Base interactions energy: -538.772
where: short stacking energy: -227.419
Base-Backbone interact. energy: -0.458
local terms energy: -338.444309
where:
bonds (distance) C4'-P energy: -68.488
bonds (distance) P-C4' energy: -79.959
flat angles C4'-P-C4' energy: -75.718
flat angles P-C4'-P energy: -53.834
tors. eta vs tors. theta energy: -60.446
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: 8, replica: 2
=====================================
Write number: 454
Temperature: 1.250000
Total energy: -857.642564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -857.642564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -857.642564 (E_RNA)
where:
Base-Base interactions energy: -549.551
where: short stacking energy: -241.696
Base-Backbone interact. energy: 2.241
local terms energy: -310.333020
where:
bonds (distance) C4'-P energy: -64.857
bonds (distance) P-C4' energy: -67.716
flat angles C4'-P-C4' energy: -71.168
flat angles P-C4'-P energy: -44.781
tors. eta vs tors. theta energy: -61.811
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: 9, replica: 8
=====================================
Write number: 454
Temperature: 1.300000
Total energy: -746.756878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -746.756878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -746.756878 (E_RNA)
where:
Base-Base interactions energy: -467.432
where: short stacking energy: -236.420
Base-Backbone interact. energy: 0.216
local terms energy: -279.540680
where:
bonds (distance) C4'-P energy: -67.433
bonds (distance) P-C4' energy: -68.995
flat angles C4'-P-C4' energy: -57.476
flat angles P-C4'-P energy: -39.598
tors. eta vs tors. theta energy: -46.038
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: 10, replica: 6
=====================================
Write number: 454
Temperature: 1.350000
Total energy: -565.605621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -565.605621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -565.605621 (E_RNA)
where:
Base-Base interactions energy: -321.761
where: short stacking energy: -154.495
Base-Backbone interact. energy: -1.277
local terms energy: -242.566913
where:
bonds (distance) C4'-P energy: -70.212
bonds (distance) P-C4' energy: -61.528
flat angles C4'-P-C4' energy: -60.673
flat angles P-C4'-P energy: -35.757
tors. eta vs tors. theta energy: -14.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 455
Temperature: 0.900000
Total energy: -1393.381280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1393.381280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1393.381280 (E_RNA)
where:
Base-Base interactions energy: -978.451
where: short stacking energy: -393.925
Base-Backbone interact. energy: -3.117
local terms energy: -411.812806
where:
bonds (distance) C4'-P energy: -80.344
bonds (distance) P-C4' energy: -78.947
flat angles C4'-P-C4' energy: -87.911
flat angles P-C4'-P energy: -57.962
tors. eta vs tors. theta energy: -106.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 455
Temperature: 0.950000
Total energy: -1331.290020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1331.290020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1331.290020 (E_RNA)
where:
Base-Base interactions energy: -935.673
where: short stacking energy: -377.912
Base-Backbone interact. energy: -1.001
local terms energy: -394.616298
where:
bonds (distance) C4'-P energy: -72.177
bonds (distance) P-C4' energy: -72.966
flat angles C4'-P-C4' energy: -86.315
flat angles P-C4'-P energy: -60.524
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: 3, replica: 4
=====================================
Write number: 455
Temperature: 1.000000
Total energy: -1269.516649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1269.516649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1269.516649 (E_RNA)
where:
Base-Base interactions energy: -878.302
where: short stacking energy: -355.390
Base-Backbone interact. energy: -1.109
local terms energy: -390.105449
where:
bonds (distance) C4'-P energy: -77.427
bonds (distance) P-C4' energy: -82.515
flat angles C4'-P-C4' energy: -81.685
flat angles P-C4'-P energy: -54.470
tors. eta vs tors. theta energy: -94.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 455
Temperature: 1.050000
Total energy: -1224.812608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1224.812608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1224.812608 (E_RNA)
where:
Base-Base interactions energy: -854.801
where: short stacking energy: -356.668
Base-Backbone interact. energy: -0.164
local terms energy: -369.847604
where:
bonds (distance) C4'-P energy: -67.513
bonds (distance) P-C4' energy: -73.068
flat angles C4'-P-C4' energy: -89.992
flat angles P-C4'-P energy: -50.384
tors. eta vs tors. theta energy: -88.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 455
Temperature: 1.100000
Total energy: -1175.779389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1175.779389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1175.779389 (E_RNA)
where:
Base-Base interactions energy: -815.624
where: short stacking energy: -345.598
Base-Backbone interact. energy: -2.684
local terms energy: -357.471444
where:
bonds (distance) C4'-P energy: -74.422
bonds (distance) P-C4' energy: -78.719
flat angles C4'-P-C4' energy: -62.407
flat angles P-C4'-P energy: -44.221
tors. eta vs tors. theta energy: -97.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 455
Temperature: 1.150000
Total energy: -1043.713525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1043.713525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1043.713525 (E_RNA)
where:
Base-Base interactions energy: -707.670
where: short stacking energy: -313.328
Base-Backbone interact. energy: -0.375
local terms energy: -335.669324
where:
bonds (distance) C4'-P energy: -69.265
bonds (distance) P-C4' energy: -76.135
flat angles C4'-P-C4' energy: -53.559
flat angles P-C4'-P energy: -56.095
tors. eta vs tors. theta energy: -80.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 455
Temperature: 1.200000
Total energy: -904.702307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -904.702307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -904.702307 (E_RNA)
where:
Base-Base interactions energy: -605.834
where: short stacking energy: -259.973
Base-Backbone interact. energy: 0.662
local terms energy: -299.529799
where:
bonds (distance) C4'-P energy: -67.105
bonds (distance) P-C4' energy: -68.740
flat angles C4'-P-C4' energy: -57.929
flat angles P-C4'-P energy: -45.916
tors. eta vs tors. theta energy: -59.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 455
Temperature: 1.250000
Total energy: -884.501347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -884.501347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -884.501347 (E_RNA)
where:
Base-Base interactions energy: -558.856
where: short stacking energy: -240.315
Base-Backbone interact. energy: -1.043
local terms energy: -324.602666
where:
bonds (distance) C4'-P energy: -65.409
bonds (distance) P-C4' energy: -78.237
flat angles C4'-P-C4' energy: -72.887
flat angles P-C4'-P energy: -50.598
tors. eta vs tors. theta energy: -57.473
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: 9, replica: 8
=====================================
Write number: 455
Temperature: 1.300000
Total energy: -699.794895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -699.794895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -699.794895 (E_RNA)
where:
Base-Base interactions energy: -428.404
where: short stacking energy: -198.671
Base-Backbone interact. energy: 0.782
local terms energy: -272.172277
where:
bonds (distance) C4'-P energy: -65.165
bonds (distance) P-C4' energy: -65.262
flat angles C4'-P-C4' energy: -67.176
flat angles P-C4'-P energy: -43.070
tors. eta vs tors. theta energy: -31.499
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: 6
=====================================
Write number: 455
Temperature: 1.350000
Total energy: -574.158679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -574.158679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -574.158679 (E_RNA)
where:
Base-Base interactions energy: -332.050
where: short stacking energy: -149.337
Base-Backbone interact. energy: -1.669
local terms energy: -240.439096
where:
bonds (distance) C4'-P energy: -70.779
bonds (distance) P-C4' energy: -65.413
flat angles C4'-P-C4' energy: -55.264
flat angles P-C4'-P energy: -30.612
tors. eta vs tors. theta energy: -18.372
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: 1, replica: 7
=====================================
Write number: 456
Temperature: 0.900000
Total energy: -1418.426851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1418.426851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1418.426851 (E_RNA)
where:
Base-Base interactions energy: -992.961
where: short stacking energy: -406.062
Base-Backbone interact. energy: -2.026
local terms energy: -423.440174
where:
bonds (distance) C4'-P energy: -75.494
bonds (distance) P-C4' energy: -81.040
flat angles C4'-P-C4' energy: -87.324
flat angles P-C4'-P energy: -65.208
tors. eta vs tors. theta energy: -114.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 456
Temperature: 0.950000
Total energy: -1346.264028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1346.264028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1346.264028 (E_RNA)
where:
Base-Base interactions energy: -946.516
where: short stacking energy: -389.725
Base-Backbone interact. energy: -0.464
local terms energy: -399.283846
where:
bonds (distance) C4'-P energy: -73.808
bonds (distance) P-C4' energy: -73.714
flat angles C4'-P-C4' energy: -83.201
flat angles P-C4'-P energy: -60.786
tors. eta vs tors. theta energy: -107.775
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: 4
=====================================
Write number: 456
Temperature: 1.000000
Total energy: -1279.029463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1279.029463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1279.029463 (E_RNA)
where:
Base-Base interactions energy: -883.673
where: short stacking energy: -336.975
Base-Backbone interact. energy: -1.909
local terms energy: -393.447878
where:
bonds (distance) C4'-P energy: -78.443
bonds (distance) P-C4' energy: -80.726
flat angles C4'-P-C4' energy: -78.376
flat angles P-C4'-P energy: -55.861
tors. eta vs tors. theta energy: -100.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 456
Temperature: 1.050000
Total energy: -1274.530403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1274.530403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1274.530403 (E_RNA)
where:
Base-Base interactions energy: -886.019
where: short stacking energy: -374.326
Base-Backbone interact. energy: 0.276
local terms energy: -388.786683
where:
bonds (distance) C4'-P energy: -60.136
bonds (distance) P-C4' energy: -81.573
flat angles C4'-P-C4' energy: -87.934
flat angles P-C4'-P energy: -51.316
tors. eta vs tors. theta energy: -107.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 456
Temperature: 1.100000
Total energy: -1121.452048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1121.452048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1121.452048 (E_RNA)
where:
Base-Base interactions energy: -770.990
where: short stacking energy: -331.383
Base-Backbone interact. energy: -1.516
local terms energy: -348.945941
where:
bonds (distance) C4'-P energy: -70.436
bonds (distance) P-C4' energy: -69.883
flat angles C4'-P-C4' energy: -76.121
flat angles P-C4'-P energy: -40.131
tors. eta vs tors. theta energy: -92.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 456
Temperature: 1.150000
Total energy: -1032.978336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1032.978336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1032.978336 (E_RNA)
where:
Base-Base interactions energy: -715.157
where: short stacking energy: -307.700
Base-Backbone interact. energy: -2.218
local terms energy: -315.603117
where:
bonds (distance) C4'-P energy: -57.596
bonds (distance) P-C4' energy: -69.851
flat angles C4'-P-C4' energy: -63.506
flat angles P-C4'-P energy: -45.431
tors. eta vs tors. theta energy: -79.219
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: 10
=====================================
Write number: 456
Temperature: 1.200000
Total energy: -940.031698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -940.031698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -940.031698 (E_RNA)
where:
Base-Base interactions energy: -616.616
where: short stacking energy: -289.053
Base-Backbone interact. energy: 0.732
local terms energy: -324.147989
where:
bonds (distance) C4'-P energy: -68.628
bonds (distance) P-C4' energy: -65.238
flat angles C4'-P-C4' energy: -74.498
flat angles P-C4'-P energy: -41.130
tors. eta vs tors. theta energy: -74.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 456
Temperature: 1.250000
Total energy: -857.905758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -857.905758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -857.905758 (E_RNA)
where:
Base-Base interactions energy: -558.551
where: short stacking energy: -241.801
Base-Backbone interact. energy: 0.239
local terms energy: -300.811708
where:
bonds (distance) C4'-P energy: -69.856
bonds (distance) P-C4' energy: -68.972
flat angles C4'-P-C4' energy: -70.728
flat angles P-C4'-P energy: -43.063
tors. eta vs tors. theta energy: -48.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.217 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 456
Temperature: 1.300000
Total energy: -732.249725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -732.249725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -732.249725 (E_RNA)
where:
Base-Base interactions energy: -452.010
where: short stacking energy: -208.264
Base-Backbone interact. energy: 1.592
local terms energy: -281.832610
where:
bonds (distance) C4'-P energy: -65.925
bonds (distance) P-C4' energy: -75.205
flat angles C4'-P-C4' energy: -57.330
flat angles P-C4'-P energy: -44.352
tors. eta vs tors. theta energy: -39.019
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: 6
=====================================
Write number: 456
Temperature: 1.350000
Total energy: -592.871156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -592.871156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -592.871156 (E_RNA)
where:
Base-Base interactions energy: -361.320
where: short stacking energy: -167.578
Base-Backbone interact. energy: 4.474
local terms energy: -236.026013
where:
bonds (distance) C4'-P energy: -63.688
bonds (distance) P-C4' energy: -73.188
flat angles C4'-P-C4' energy: -53.990
flat angles P-C4'-P energy: -35.272
tors. eta vs tors. theta energy: -9.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 457
Temperature: 0.900000
Total energy: -1406.812494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1406.812494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1406.812494 (E_RNA)
where:
Base-Base interactions energy: -987.300
where: short stacking energy: -394.995
Base-Backbone interact. energy: -3.077
local terms energy: -416.435038
where:
bonds (distance) C4'-P energy: -78.556
bonds (distance) P-C4' energy: -79.259
flat angles C4'-P-C4' energy: -88.303
flat angles P-C4'-P energy: -56.077
tors. eta vs tors. theta energy: -114.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 457
Temperature: 0.950000
Total energy: -1344.611007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1344.611007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1344.611007 (E_RNA)
where:
Base-Base interactions energy: -938.910
where: short stacking energy: -372.106
Base-Backbone interact. energy: -0.718
local terms energy: -404.982581
where:
bonds (distance) C4'-P energy: -71.001
bonds (distance) P-C4' energy: -67.641
flat angles C4'-P-C4' energy: -92.850
flat angles P-C4'-P energy: -55.744
tors. eta vs tors. theta energy: -117.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 457
Temperature: 1.000000
Total energy: -1305.754341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1305.754341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1305.754341 (E_RNA)
where:
Base-Base interactions energy: -931.160
where: short stacking energy: -357.470
Base-Backbone interact. energy: 0.670
local terms energy: -375.264172
where:
bonds (distance) C4'-P energy: -76.829
bonds (distance) P-C4' energy: -64.562
flat angles C4'-P-C4' energy: -85.989
flat angles P-C4'-P energy: -51.835
tors. eta vs tors. theta energy: -96.049
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: 9
=====================================
Write number: 457
Temperature: 1.050000
Total energy: -1244.648728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1244.648728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1244.648728 (E_RNA)
where:
Base-Base interactions energy: -864.770
where: short stacking energy: -362.571
Base-Backbone interact. energy: -1.748
local terms energy: -378.131189
where:
bonds (distance) C4'-P energy: -65.760
bonds (distance) P-C4' energy: -80.122
flat angles C4'-P-C4' energy: -80.006
flat angles P-C4'-P energy: -50.269
tors. eta vs tors. theta energy: -101.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 457
Temperature: 1.100000
Total energy: -1106.236522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1106.236522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1106.236522 (E_RNA)
where:
Base-Base interactions energy: -768.203
where: short stacking energy: -334.825
Base-Backbone interact. energy: 0.991
local terms energy: -339.024213
where:
bonds (distance) C4'-P energy: -63.852
bonds (distance) P-C4' energy: -71.399
flat angles C4'-P-C4' energy: -71.947
flat angles P-C4'-P energy: -49.317
tors. eta vs tors. theta energy: -82.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 457
Temperature: 1.150000
Total energy: -1055.284090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1055.284090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1055.284090 (E_RNA)
where:
Base-Base interactions energy: -699.674
where: short stacking energy: -304.710
Base-Backbone interact. energy: -1.767
local terms energy: -353.843303
where:
bonds (distance) C4'-P energy: -71.703
bonds (distance) P-C4' energy: -71.021
flat angles C4'-P-C4' energy: -69.613
flat angles P-C4'-P energy: -57.629
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: 7, replica: 10
=====================================
Write number: 457
Temperature: 1.200000
Total energy: -899.390622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -899.390622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -899.390622 (E_RNA)
where:
Base-Base interactions energy: -592.601
where: short stacking energy: -266.096
Base-Backbone interact. energy: -1.060
local terms energy: -305.729160
where:
bonds (distance) C4'-P energy: -47.502
bonds (distance) P-C4' energy: -74.691
flat angles C4'-P-C4' energy: -72.741
flat angles P-C4'-P energy: -48.880
tors. eta vs tors. theta energy: -61.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 457
Temperature: 1.250000
Total energy: -856.036218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -856.036218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -856.036218 (E_RNA)
where:
Base-Base interactions energy: -568.313
where: short stacking energy: -252.386
Base-Backbone interact. energy: -1.151
local terms energy: -286.572972
where:
bonds (distance) C4'-P energy: -54.916
bonds (distance) P-C4' energy: -60.527
flat angles C4'-P-C4' energy: -65.415
flat angles P-C4'-P energy: -50.227
tors. eta vs tors. theta energy: -55.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 457
Temperature: 1.300000
Total energy: -735.094467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -735.094467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -735.094467 (E_RNA)
where:
Base-Base interactions energy: -459.369
where: short stacking energy: -200.093
Base-Backbone interact. energy: -1.202
local terms energy: -274.523859
where:
bonds (distance) C4'-P energy: -67.825
bonds (distance) P-C4' energy: -65.076
flat angles C4'-P-C4' energy: -70.297
flat angles P-C4'-P energy: -35.695
tors. eta vs tors. theta energy: -35.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 457
Temperature: 1.350000
Total energy: -568.048031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -568.048031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -568.048031 (E_RNA)
where:
Base-Base interactions energy: -347.974
where: short stacking energy: -176.286
Base-Backbone interact. energy: -0.979
local terms energy: -219.094750
where:
bonds (distance) C4'-P energy: -43.618
bonds (distance) P-C4' energy: -72.997
flat angles C4'-P-C4' energy: -45.894
flat angles P-C4'-P energy: -33.650
tors. eta vs tors. theta energy: -22.936
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: 7
=====================================
Write number: 458
Temperature: 0.900000
Total energy: -1411.447803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1411.447803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1411.447803 (E_RNA)
where:
Base-Base interactions energy: -1014.240
where: short stacking energy: -408.044
Base-Backbone interact. energy: -2.330
local terms energy: -394.878350
where:
bonds (distance) C4'-P energy: -84.578
bonds (distance) P-C4' energy: -65.654
flat angles C4'-P-C4' energy: -80.207
flat angles P-C4'-P energy: -56.090
tors. eta vs tors. theta energy: -108.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 458
Temperature: 0.950000
Total energy: -1355.621783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1355.621783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1355.621783 (E_RNA)
where:
Base-Base interactions energy: -951.280
where: short stacking energy: -380.141
Base-Backbone interact. energy: -1.007
local terms energy: -403.335103
where:
bonds (distance) C4'-P energy: -78.278
bonds (distance) P-C4' energy: -82.659
flat angles C4'-P-C4' energy: -76.980
flat angles P-C4'-P energy: -54.047
tors. eta vs tors. theta energy: -111.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 458
Temperature: 1.000000
Total energy: -1292.007558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1292.007558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1292.007558 (E_RNA)
where:
Base-Base interactions energy: -916.213
where: short stacking energy: -354.125
Base-Backbone interact. energy: -4.297
local terms energy: -371.497123
where:
bonds (distance) C4'-P energy: -68.382
bonds (distance) P-C4' energy: -73.497
flat angles C4'-P-C4' energy: -86.705
flat angles P-C4'-P energy: -49.913
tors. eta vs tors. theta energy: -93.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 458
Temperature: 1.050000
Total energy: -1245.013024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1245.013024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1245.013024 (E_RNA)
where:
Base-Base interactions energy: -872.659
where: short stacking energy: -351.451
Base-Backbone interact. energy: -0.145
local terms energy: -372.209195
where:
bonds (distance) C4'-P energy: -61.034
bonds (distance) P-C4' energy: -82.142
flat angles C4'-P-C4' energy: -82.119
flat angles P-C4'-P energy: -44.158
tors. eta vs tors. theta energy: -102.756
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: 3
=====================================
Write number: 458
Temperature: 1.100000
Total energy: -1117.392633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1117.392633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1117.392633 (E_RNA)
where:
Base-Base interactions energy: -759.426
where: short stacking energy: -317.879
Base-Backbone interact. energy: -2.397
local terms energy: -355.569952
where:
bonds (distance) C4'-P energy: -75.042
bonds (distance) P-C4' energy: -72.827
flat angles C4'-P-C4' energy: -78.510
flat angles P-C4'-P energy: -36.507
tors. eta vs tors. theta energy: -92.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 458
Temperature: 1.150000
Total energy: -1082.968535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1082.968535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1082.968535 (E_RNA)
where:
Base-Base interactions energy: -749.266
where: short stacking energy: -341.134
Base-Backbone interact. energy: -0.570
local terms energy: -334.452322
where:
bonds (distance) C4'-P energy: -55.527
bonds (distance) P-C4' energy: -63.435
flat angles C4'-P-C4' energy: -76.939
flat angles P-C4'-P energy: -47.007
tors. eta vs tors. theta energy: -91.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.320 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 458
Temperature: 1.200000
Total energy: -893.120698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -893.120698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -893.120698 (E_RNA)
where:
Base-Base interactions energy: -589.404
where: short stacking energy: -262.669
Base-Backbone interact. energy: -1.258
local terms energy: -302.459484
where:
bonds (distance) C4'-P energy: -45.697
bonds (distance) P-C4' energy: -75.999
flat angles C4'-P-C4' energy: -71.754
flat angles P-C4'-P energy: -43.711
tors. eta vs tors. theta energy: -65.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 458
Temperature: 1.250000
Total energy: -830.810071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -830.810071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -830.810071 (E_RNA)
where:
Base-Base interactions energy: -525.363
where: short stacking energy: -237.860
Base-Backbone interact. energy: -1.058
local terms energy: -304.388798
where:
bonds (distance) C4'-P energy: -72.852
bonds (distance) P-C4' energy: -77.877
flat angles C4'-P-C4' energy: -69.437
flat angles P-C4'-P energy: -43.554
tors. eta vs tors. theta energy: -40.668
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: 9, replica: 8
=====================================
Write number: 458
Temperature: 1.300000
Total energy: -740.839313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -740.839313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -740.839313 (E_RNA)
where:
Base-Base interactions energy: -443.353
where: short stacking energy: -211.777
Base-Backbone interact. energy: -1.212
local terms energy: -296.274127
where:
bonds (distance) C4'-P energy: -65.648
bonds (distance) P-C4' energy: -70.600
flat angles C4'-P-C4' energy: -59.691
flat angles P-C4'-P energy: -52.426
tors. eta vs tors. theta energy: -47.909
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: 6
=====================================
Write number: 458
Temperature: 1.350000
Total energy: -580.600986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -580.600986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -580.600986 (E_RNA)
where:
Base-Base interactions energy: -329.862
where: short stacking energy: -158.108
Base-Backbone interact. energy: -0.507
local terms energy: -250.231798
where:
bonds (distance) C4'-P energy: -54.589
bonds (distance) P-C4' energy: -67.282
flat angles C4'-P-C4' energy: -72.480
flat angles P-C4'-P energy: -35.585
tors. eta vs tors. theta energy: -20.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 459
Temperature: 0.900000
Total energy: -1414.837614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1414.837614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1414.837614 (E_RNA)
where:
Base-Base interactions energy: -999.814
where: short stacking energy: -395.371
Base-Backbone interact. energy: -4.647
local terms energy: -410.376795
where:
bonds (distance) C4'-P energy: -77.030
bonds (distance) P-C4' energy: -73.837
flat angles C4'-P-C4' energy: -90.380
flat angles P-C4'-P energy: -59.054
tors. eta vs tors. theta energy: -110.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 459
Temperature: 0.950000
Total energy: -1370.876574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1370.876574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1370.876574 (E_RNA)
where:
Base-Base interactions energy: -974.008
where: short stacking energy: -376.464
Base-Backbone interact. energy: -1.030
local terms energy: -395.838554
where:
bonds (distance) C4'-P energy: -71.062
bonds (distance) P-C4' energy: -69.363
flat angles C4'-P-C4' energy: -88.361
flat angles P-C4'-P energy: -56.237
tors. eta vs tors. theta energy: -110.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 459
Temperature: 1.000000
Total energy: -1279.196753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1279.196753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1279.196753 (E_RNA)
where:
Base-Base interactions energy: -895.921
where: short stacking energy: -348.299
Base-Backbone interact. energy: -4.035
local terms energy: -379.240343
where:
bonds (distance) C4'-P energy: -81.530
bonds (distance) P-C4' energy: -69.226
flat angles C4'-P-C4' energy: -83.304
flat angles P-C4'-P energy: -53.097
tors. eta vs tors. theta energy: -92.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 459
Temperature: 1.050000
Total energy: -1216.986039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1216.986039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1216.986039 (E_RNA)
where:
Base-Base interactions energy: -852.843
where: short stacking energy: -356.273
Base-Backbone interact. energy: -0.628
local terms energy: -363.514505
where:
bonds (distance) C4'-P energy: -70.210
bonds (distance) P-C4' energy: -65.303
flat angles C4'-P-C4' energy: -81.108
flat angles P-C4'-P energy: -51.102
tors. eta vs tors. theta energy: -95.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 459
Temperature: 1.100000
Total energy: -1130.150897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1130.150897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1130.150897 (E_RNA)
where:
Base-Base interactions energy: -777.389
where: short stacking energy: -341.240
Base-Backbone interact. energy: -1.165
local terms energy: -351.597120
where:
bonds (distance) C4'-P energy: -72.880
bonds (distance) P-C4' energy: -72.391
flat angles C4'-P-C4' energy: -68.973
flat angles P-C4'-P energy: -54.551
tors. eta vs tors. theta energy: -82.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 459
Temperature: 1.150000
Total energy: -1022.518273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1022.518273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1022.518273 (E_RNA)
where:
Base-Base interactions energy: -663.958
where: short stacking energy: -284.143
Base-Backbone interact. energy: -0.491
local terms energy: -358.068452
where:
bonds (distance) C4'-P energy: -63.866
bonds (distance) P-C4' energy: -70.449
flat angles C4'-P-C4' energy: -74.282
flat angles P-C4'-P energy: -64.870
tors. eta vs tors. theta energy: -84.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 459
Temperature: 1.200000
Total energy: -906.237387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -906.237387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -906.237387 (E_RNA)
where:
Base-Base interactions energy: -580.094
where: short stacking energy: -269.906
Base-Backbone interact. energy: -0.528
local terms energy: -325.614671
where:
bonds (distance) C4'-P energy: -66.639
bonds (distance) P-C4' energy: -72.066
flat angles C4'-P-C4' energy: -77.138
flat angles P-C4'-P energy: -49.042
tors. eta vs tors. theta energy: -60.729
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: 2
=====================================
Write number: 459
Temperature: 1.250000
Total energy: -859.431113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -859.431113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -859.431113 (E_RNA)
where:
Base-Base interactions energy: -557.519
where: short stacking energy: -248.099
Base-Backbone interact. energy: -2.051
local terms energy: -300.944986
where:
bonds (distance) C4'-P energy: -63.053
bonds (distance) P-C4' energy: -74.045
flat angles C4'-P-C4' energy: -73.344
flat angles P-C4'-P energy: -43.618
tors. eta vs tors. theta energy: -46.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.084 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 459
Temperature: 1.300000
Total energy: -717.944669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -717.944669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -717.944669 (E_RNA)
where:
Base-Base interactions energy: -436.401
where: short stacking energy: -216.329
Base-Backbone interact. energy: -1.534
local terms energy: -280.010063
where:
bonds (distance) C4'-P energy: -61.803
bonds (distance) P-C4' energy: -71.814
flat angles C4'-P-C4' energy: -69.536
flat angles P-C4'-P energy: -31.572
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: 10, replica: 6
=====================================
Write number: 459
Temperature: 1.350000
Total energy: -587.041819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -587.041819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -587.041819 (E_RNA)
where:
Base-Base interactions energy: -357.027
where: short stacking energy: -173.486
Base-Backbone interact. energy: 3.280
local terms energy: -233.524183
where:
bonds (distance) C4'-P energy: -51.875
bonds (distance) P-C4' energy: -67.985
flat angles C4'-P-C4' energy: -51.424
flat angles P-C4'-P energy: -32.489
tors. eta vs tors. theta energy: -29.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.229 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 460
Temperature: 0.900000
Total energy: -1388.755314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1388.755314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1388.755314 (E_RNA)
where:
Base-Base interactions energy: -983.815
where: short stacking energy: -388.487
Base-Backbone interact. energy: -1.967
local terms energy: -402.973613
where:
bonds (distance) C4'-P energy: -78.773
bonds (distance) P-C4' energy: -79.492
flat angles C4'-P-C4' energy: -86.222
flat angles P-C4'-P energy: -49.963
tors. eta vs tors. theta energy: -108.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 460
Temperature: 0.950000
Total energy: -1400.587394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1400.587394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1400.587394 (E_RNA)
where:
Base-Base interactions energy: -998.951
where: short stacking energy: -411.924
Base-Backbone interact. energy: -1.517
local terms energy: -400.119556
where:
bonds (distance) C4'-P energy: -76.009
bonds (distance) P-C4' energy: -76.366
flat angles C4'-P-C4' energy: -80.322
flat angles P-C4'-P energy: -52.888
tors. eta vs tors. theta energy: -114.535
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: 9
=====================================
Write number: 460
Temperature: 1.000000
Total energy: -1280.378643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1280.378643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1280.378643 (E_RNA)
where:
Base-Base interactions energy: -902.161
where: short stacking energy: -382.150
Base-Backbone interact. energy: -2.166
local terms energy: -376.051134
where:
bonds (distance) C4'-P energy: -71.424
bonds (distance) P-C4' energy: -69.665
flat angles C4'-P-C4' energy: -67.761
flat angles P-C4'-P energy: -60.118
tors. eta vs tors. theta energy: -107.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 460
Temperature: 1.050000
Total energy: -1261.738119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1261.738119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1261.738119 (E_RNA)
where:
Base-Base interactions energy: -894.936
where: short stacking energy: -345.029
Base-Backbone interact. energy: -0.647
local terms energy: -366.154980
where:
bonds (distance) C4'-P energy: -64.661
bonds (distance) P-C4' energy: -66.848
flat angles C4'-P-C4' energy: -83.520
flat angles P-C4'-P energy: -58.463
tors. eta vs tors. theta energy: -92.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 460
Temperature: 1.100000
Total energy: -1104.792735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1104.792735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1104.792735 (E_RNA)
where:
Base-Base interactions energy: -748.399
where: short stacking energy: -325.493
Base-Backbone interact. energy: 1.786
local terms energy: -358.179566
where:
bonds (distance) C4'-P energy: -63.926
bonds (distance) P-C4' energy: -81.912
flat angles C4'-P-C4' energy: -74.148
flat angles P-C4'-P energy: -45.689
tors. eta vs tors. theta energy: -92.505
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: 1
=====================================
Write number: 460
Temperature: 1.150000
Total energy: -1033.399364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1033.399364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1033.399364 (E_RNA)
where:
Base-Base interactions energy: -708.599
where: short stacking energy: -299.112
Base-Backbone interact. energy: 2.005
local terms energy: -326.805184
where:
bonds (distance) C4'-P energy: -60.222
bonds (distance) P-C4' energy: -70.995
flat angles C4'-P-C4' energy: -70.862
flat angles P-C4'-P energy: -46.936
tors. eta vs tors. theta energy: -77.790
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: 10
=====================================
Write number: 460
Temperature: 1.200000
Total energy: -895.601927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -895.601927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -895.601927 (E_RNA)
where:
Base-Base interactions energy: -583.207
where: short stacking energy: -245.660
Base-Backbone interact. energy: -0.816
local terms energy: -311.578650
where:
bonds (distance) C4'-P energy: -78.905
bonds (distance) P-C4' energy: -62.780
flat angles C4'-P-C4' energy: -63.145
flat angles P-C4'-P energy: -49.113
tors. eta vs tors. theta energy: -57.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 460
Temperature: 1.250000
Total energy: -831.147127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -831.147127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -831.147127 (E_RNA)
where:
Base-Base interactions energy: -528.403
where: short stacking energy: -242.187
Base-Backbone interact. energy: -2.287
local terms energy: -300.457090
where:
bonds (distance) C4'-P energy: -70.361
bonds (distance) P-C4' energy: -63.089
flat angles C4'-P-C4' energy: -57.119
flat angles P-C4'-P energy: -47.853
tors. eta vs tors. theta energy: -62.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 460
Temperature: 1.300000
Total energy: -694.480630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -694.480630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -694.480630 (E_RNA)
where:
Base-Base interactions energy: -434.242
where: short stacking energy: -202.516
Base-Backbone interact. energy: 0.895
local terms energy: -261.133529
where:
bonds (distance) C4'-P energy: -68.311
bonds (distance) P-C4' energy: -65.968
flat angles C4'-P-C4' energy: -55.087
flat angles P-C4'-P energy: -42.492
tors. eta vs tors. theta energy: -29.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 460
Temperature: 1.350000
Total energy: -606.323566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -606.323566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -606.323566 (E_RNA)
where:
Base-Base interactions energy: -356.148
where: short stacking energy: -156.225
Base-Backbone interact. energy: 2.085
local terms energy: -252.261510
where:
bonds (distance) C4'-P energy: -64.025
bonds (distance) P-C4' energy: -62.444
flat angles C4'-P-C4' energy: -69.162
flat angles P-C4'-P energy: -41.812
tors. eta vs tors. theta energy: -14.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 461
Temperature: 0.900000
Total energy: -1386.707271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1386.707271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1386.707271 (E_RNA)
where:
Base-Base interactions energy: -969.362
where: short stacking energy: -385.054
Base-Backbone interact. energy: -0.767
local terms energy: -416.578506
where:
bonds (distance) C4'-P energy: -76.417
bonds (distance) P-C4' energy: -81.081
flat angles C4'-P-C4' energy: -92.616
flat angles P-C4'-P energy: -55.106
tors. eta vs tors. theta energy: -111.358
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: 2, replica: 7
=====================================
Write number: 461
Temperature: 0.950000
Total energy: -1389.218687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1389.218687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1389.218687 (E_RNA)
where:
Base-Base interactions energy: -959.915
where: short stacking energy: -394.097
Base-Backbone interact. energy: -0.861
local terms energy: -428.442240
where:
bonds (distance) C4'-P energy: -79.746
bonds (distance) P-C4' energy: -70.588
flat angles C4'-P-C4' energy: -88.470
flat angles P-C4'-P energy: -68.911
tors. eta vs tors. theta energy: -120.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 461
Temperature: 1.000000
Total energy: -1281.748506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1281.748506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1281.748506 (E_RNA)
where:
Base-Base interactions energy: -888.849
where: short stacking energy: -373.248
Base-Backbone interact. energy: -1.526
local terms energy: -391.373081
where:
bonds (distance) C4'-P energy: -67.861
bonds (distance) P-C4' energy: -66.411
flat angles C4'-P-C4' energy: -86.511
flat angles P-C4'-P energy: -60.600
tors. eta vs tors. theta energy: -109.990
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: 4
=====================================
Write number: 461
Temperature: 1.050000
Total energy: -1253.806615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1253.806615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1253.806615 (E_RNA)
where:
Base-Base interactions energy: -881.765
where: short stacking energy: -348.951
Base-Backbone interact. energy: -1.661
local terms energy: -370.381181
where:
bonds (distance) C4'-P energy: -65.909
bonds (distance) P-C4' energy: -63.643
flat angles C4'-P-C4' energy: -89.146
flat angles P-C4'-P energy: -51.383
tors. eta vs tors. theta energy: -100.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 461
Temperature: 1.100000
Total energy: -1095.803280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1095.803280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1095.803280 (E_RNA)
where:
Base-Base interactions energy: -732.288
where: short stacking energy: -324.828
Base-Backbone interact. energy: 0.657
local terms energy: -364.172792
where:
bonds (distance) C4'-P energy: -77.273
bonds (distance) P-C4' energy: -76.480
flat angles C4'-P-C4' energy: -70.105
flat angles P-C4'-P energy: -53.313
tors. eta vs tors. theta energy: -87.002
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: 6, replica: 1
=====================================
Write number: 461
Temperature: 1.150000
Total energy: -1040.393225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1040.393225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1040.393225 (E_RNA)
where:
Base-Base interactions energy: -698.603
where: short stacking energy: -312.987
Base-Backbone interact. energy: 0.099
local terms energy: -341.888931
where:
bonds (distance) C4'-P energy: -73.413
bonds (distance) P-C4' energy: -60.764
flat angles C4'-P-C4' energy: -70.870
flat angles P-C4'-P energy: -46.219
tors. eta vs tors. theta energy: -90.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 461
Temperature: 1.200000
Total energy: -880.723001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -880.723001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -880.723001 (E_RNA)
where:
Base-Base interactions energy: -561.824
where: short stacking energy: -259.171
Base-Backbone interact. energy: 5.188
local terms energy: -324.086551
where:
bonds (distance) C4'-P energy: -53.247
bonds (distance) P-C4' energy: -83.329
flat angles C4'-P-C4' energy: -76.855
flat angles P-C4'-P energy: -40.067
tors. eta vs tors. theta energy: -70.588
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: 2
=====================================
Write number: 461
Temperature: 1.250000
Total energy: -845.262387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -845.262387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -845.262387 (E_RNA)
where:
Base-Base interactions energy: -555.375
where: short stacking energy: -227.382
Base-Backbone interact. energy: -3.044
local terms energy: -286.844016
where:
bonds (distance) C4'-P energy: -70.755
bonds (distance) P-C4' energy: -58.551
flat angles C4'-P-C4' energy: -70.070
flat angles P-C4'-P energy: -40.371
tors. eta vs tors. theta energy: -47.096
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: 8
=====================================
Write number: 461
Temperature: 1.300000
Total energy: -682.700971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -682.700971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -682.700971 (E_RNA)
where:
Base-Base interactions energy: -423.301
where: short stacking energy: -196.504
Base-Backbone interact. energy: -3.924
local terms energy: -255.475496
where:
bonds (distance) C4'-P energy: -60.410
bonds (distance) P-C4' energy: -58.496
flat angles C4'-P-C4' energy: -65.354
flat angles P-C4'-P energy: -34.773
tors. eta vs tors. theta energy: -36.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 461
Temperature: 1.350000
Total energy: -584.966414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -584.966414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -584.966414 (E_RNA)
where:
Base-Base interactions energy: -335.415
where: short stacking energy: -174.162
Base-Backbone interact. energy: 0.091
local terms energy: -249.641792
where:
bonds (distance) C4'-P energy: -65.584
bonds (distance) P-C4' energy: -62.298
flat angles C4'-P-C4' energy: -59.530
flat angles P-C4'-P energy: -39.941
tors. eta vs tors. theta energy: -22.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 462
Temperature: 0.900000
Total energy: -1418.794981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1418.794981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1418.794981 (E_RNA)
where:
Base-Base interactions energy: -987.309
where: short stacking energy: -424.795
Base-Backbone interact. energy: -1.761
local terms energy: -429.725274
where:
bonds (distance) C4'-P energy: -86.839
bonds (distance) P-C4' energy: -76.410
flat angles C4'-P-C4' energy: -87.734
flat angles P-C4'-P energy: -63.035
tors. eta vs tors. theta energy: -115.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 462
Temperature: 0.950000
Total energy: -1356.287627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1356.287627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1356.287627 (E_RNA)
where:
Base-Base interactions energy: -946.061
where: short stacking energy: -384.882
Base-Backbone interact. energy: -2.797
local terms energy: -407.429939
where:
bonds (distance) C4'-P energy: -77.361
bonds (distance) P-C4' energy: -76.240
flat angles C4'-P-C4' energy: -87.964
flat angles P-C4'-P energy: -64.191
tors. eta vs tors. theta energy: -101.674
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: 4
=====================================
Write number: 462
Temperature: 1.000000
Total energy: -1294.890725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1294.890725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1294.890725 (E_RNA)
where:
Base-Base interactions energy: -913.335
where: short stacking energy: -356.173
Base-Backbone interact. energy: -2.886
local terms energy: -378.669777
where:
bonds (distance) C4'-P energy: -66.240
bonds (distance) P-C4' energy: -71.724
flat angles C4'-P-C4' energy: -81.087
flat angles P-C4'-P energy: -60.462
tors. eta vs tors. theta energy: -99.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 462
Temperature: 1.050000
Total energy: -1242.701740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1242.701740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1242.701740 (E_RNA)
where:
Base-Base interactions energy: -856.376
where: short stacking energy: -365.240
Base-Backbone interact. energy: -1.774
local terms energy: -384.551829
where:
bonds (distance) C4'-P energy: -66.891
bonds (distance) P-C4' energy: -74.319
flat angles C4'-P-C4' energy: -85.132
flat angles P-C4'-P energy: -51.916
tors. eta vs tors. theta energy: -106.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 462
Temperature: 1.100000
Total energy: -1087.971083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1087.971083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1087.971083 (E_RNA)
where:
Base-Base interactions energy: -743.534
where: short stacking energy: -346.550
Base-Backbone interact. energy: 2.022
local terms energy: -346.459338
where:
bonds (distance) C4'-P energy: -67.729
bonds (distance) P-C4' energy: -69.462
flat angles C4'-P-C4' energy: -73.380
flat angles P-C4'-P energy: -47.183
tors. eta vs tors. theta energy: -88.704
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: 6, replica: 1
=====================================
Write number: 462
Temperature: 1.150000
Total energy: -1046.257679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1046.257679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1046.257679 (E_RNA)
where:
Base-Base interactions energy: -699.934
where: short stacking energy: -315.939
Base-Backbone interact. energy: -0.995
local terms energy: -345.328597
where:
bonds (distance) C4'-P energy: -61.934
bonds (distance) P-C4' energy: -72.092
flat angles C4'-P-C4' energy: -78.263
flat angles P-C4'-P energy: -48.370
tors. eta vs tors. theta energy: -84.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 462
Temperature: 1.200000
Total energy: -864.988882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -864.988882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -864.988882 (E_RNA)
where:
Base-Base interactions energy: -554.907
where: short stacking energy: -256.136
Base-Backbone interact. energy: -1.064
local terms energy: -309.018005
where:
bonds (distance) C4'-P energy: -70.130
bonds (distance) P-C4' energy: -62.910
flat angles C4'-P-C4' energy: -77.071
flat angles P-C4'-P energy: -40.178
tors. eta vs tors. theta energy: -58.729
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: 462
Temperature: 1.250000
Total energy: -857.789741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -857.789741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -857.789741 (E_RNA)
where:
Base-Base interactions energy: -551.071
where: short stacking energy: -243.983
Base-Backbone interact. energy: -1.671
local terms energy: -305.047069
where:
bonds (distance) C4'-P energy: -58.405
bonds (distance) P-C4' energy: -69.813
flat angles C4'-P-C4' energy: -75.109
flat angles P-C4'-P energy: -49.185
tors. eta vs tors. theta energy: -52.535
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: 8
=====================================
Write number: 462
Temperature: 1.300000
Total energy: -729.944079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -729.944079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -729.944079 (E_RNA)
where:
Base-Base interactions energy: -468.232
where: short stacking energy: -218.027
Base-Backbone interact. energy: -1.458
local terms energy: -260.254446
where:
bonds (distance) C4'-P energy: -53.654
bonds (distance) P-C4' energy: -61.421
flat angles C4'-P-C4' energy: -67.089
flat angles P-C4'-P energy: -38.687
tors. eta vs tors. theta energy: -39.403
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: 6
=====================================
Write number: 462
Temperature: 1.350000
Total energy: -590.085887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -590.085887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -590.085887 (E_RNA)
where:
Base-Base interactions energy: -345.034
where: short stacking energy: -179.331
Base-Backbone interact. energy: -1.130
local terms energy: -243.921878
where:
bonds (distance) C4'-P energy: -55.241
bonds (distance) P-C4' energy: -74.268
flat angles C4'-P-C4' energy: -51.137
flat angles P-C4'-P energy: -27.431
tors. eta vs tors. theta energy: -35.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 463
Temperature: 0.900000
Total energy: -1419.872426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1419.872426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1419.872426 (E_RNA)
where:
Base-Base interactions energy: -1002.867
where: short stacking energy: -411.116
Base-Backbone interact. energy: 0.027
local terms energy: -417.032528
where:
bonds (distance) C4'-P energy: -77.834
bonds (distance) P-C4' energy: -81.022
flat angles C4'-P-C4' energy: -83.783
flat angles P-C4'-P energy: -52.167
tors. eta vs tors. theta energy: -122.227
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: 5
=====================================
Write number: 463
Temperature: 0.950000
Total energy: -1348.125190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1348.125190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1348.125190 (E_RNA)
where:
Base-Base interactions energy: -962.097
where: short stacking energy: -364.925
Base-Backbone interact. energy: 0.174
local terms energy: -386.202638
where:
bonds (distance) C4'-P energy: -60.112
bonds (distance) P-C4' energy: -80.894
flat angles C4'-P-C4' energy: -81.006
flat angles P-C4'-P energy: -54.062
tors. eta vs tors. theta energy: -110.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 463
Temperature: 1.000000
Total energy: -1284.411606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1284.411606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1284.411606 (E_RNA)
where:
Base-Base interactions energy: -905.481
where: short stacking energy: -359.497
Base-Backbone interact. energy: -2.244
local terms energy: -376.686687
where:
bonds (distance) C4'-P energy: -69.427
bonds (distance) P-C4' energy: -81.697
flat angles C4'-P-C4' energy: -75.227
flat angles P-C4'-P energy: -57.648
tors. eta vs tors. theta energy: -92.688
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: 4, replica: 9
=====================================
Write number: 463
Temperature: 1.050000
Total energy: -1236.943642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1236.943642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1236.943642 (E_RNA)
where:
Base-Base interactions energy: -858.064
where: short stacking energy: -351.412
Base-Backbone interact. energy: -0.943
local terms energy: -377.936498
where:
bonds (distance) C4'-P energy: -66.138
bonds (distance) P-C4' energy: -77.900
flat angles C4'-P-C4' energy: -80.151
flat angles P-C4'-P energy: -57.630
tors. eta vs tors. theta energy: -96.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 463
Temperature: 1.100000
Total energy: -1110.622508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1110.622508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1110.622508 (E_RNA)
where:
Base-Base interactions energy: -746.504
where: short stacking energy: -323.451
Base-Backbone interact. energy: -0.338
local terms energy: -363.780615
where:
bonds (distance) C4'-P energy: -64.135
bonds (distance) P-C4' energy: -72.995
flat angles C4'-P-C4' energy: -81.449
flat angles P-C4'-P energy: -52.145
tors. eta vs tors. theta energy: -93.055
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: 1
=====================================
Write number: 463
Temperature: 1.150000
Total energy: -1054.581358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1054.581358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1054.581358 (E_RNA)
where:
Base-Base interactions energy: -690.634
where: short stacking energy: -305.454
Base-Backbone interact. energy: 0.038
local terms energy: -363.985733
where:
bonds (distance) C4'-P energy: -72.038
bonds (distance) P-C4' energy: -82.874
flat angles C4'-P-C4' energy: -75.009
flat angles P-C4'-P energy: -52.385
tors. eta vs tors. theta energy: -81.680
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: 2
=====================================
Write number: 463
Temperature: 1.200000
Total energy: -838.911847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -838.911847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -838.911847 (E_RNA)
where:
Base-Base interactions energy: -532.249
where: short stacking energy: -237.201
Base-Backbone interact. energy: -1.703
local terms energy: -304.960067
where:
bonds (distance) C4'-P energy: -76.444
bonds (distance) P-C4' energy: -73.354
flat angles C4'-P-C4' energy: -79.020
flat angles P-C4'-P energy: -36.406
tors. eta vs tors. theta energy: -39.736
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: 10
=====================================
Write number: 463
Temperature: 1.250000
Total energy: -831.082863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -831.082863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -831.082863 (E_RNA)
where:
Base-Base interactions energy: -548.574
where: short stacking energy: -240.146
Base-Backbone interact. energy: 2.858
local terms energy: -285.366807
where:
bonds (distance) C4'-P energy: -58.834
bonds (distance) P-C4' energy: -67.626
flat angles C4'-P-C4' energy: -56.021
flat angles P-C4'-P energy: -40.536
tors. eta vs tors. theta energy: -62.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 463
Temperature: 1.300000
Total energy: -743.863192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -743.863192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -743.863192 (E_RNA)
where:
Base-Base interactions energy: -478.954
where: short stacking energy: -217.768
Base-Backbone interact. energy: 0.838
local terms energy: -265.747576
where:
bonds (distance) C4'-P energy: -60.301
bonds (distance) P-C4' energy: -70.787
flat angles C4'-P-C4' energy: -66.120
flat angles P-C4'-P energy: -27.345
tors. eta vs tors. theta energy: -41.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 463
Temperature: 1.350000
Total energy: -580.348980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -580.348980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -580.348980 (E_RNA)
where:
Base-Base interactions energy: -310.942
where: short stacking energy: -162.762
Base-Backbone interact. energy: 1.625
local terms energy: -271.839592
where:
bonds (distance) C4'-P energy: -68.604
bonds (distance) P-C4' energy: -76.186
flat angles C4'-P-C4' energy: -72.937
flat angles P-C4'-P energy: -30.583
tors. eta vs tors. theta energy: -23.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.807 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 464
Temperature: 0.900000
Total energy: -1428.599458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1428.599458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1428.599458 (E_RNA)
where:
Base-Base interactions energy: -1011.505
where: short stacking energy: -393.239
Base-Backbone interact. energy: -0.147
local terms energy: -416.947963
where:
bonds (distance) C4'-P energy: -69.059
bonds (distance) P-C4' energy: -77.945
flat angles C4'-P-C4' energy: -91.286
flat angles P-C4'-P energy: -59.428
tors. eta vs tors. theta energy: -119.230
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: 2, replica: 5
=====================================
Write number: 464
Temperature: 0.950000
Total energy: -1367.123892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1367.123892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1367.123892 (E_RNA)
where:
Base-Base interactions energy: -966.780
where: short stacking energy: -375.471
Base-Backbone interact. energy: -2.640
local terms energy: -397.703807
where:
bonds (distance) C4'-P energy: -71.954
bonds (distance) P-C4' energy: -74.953
flat angles C4'-P-C4' energy: -83.610
flat angles P-C4'-P energy: -60.152
tors. eta vs tors. theta energy: -107.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 464
Temperature: 1.000000
Total energy: -1301.733865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1301.733865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1301.733865 (E_RNA)
where:
Base-Base interactions energy: -927.254
where: short stacking energy: -366.710
Base-Backbone interact. energy: -1.147
local terms energy: -373.333272
where:
bonds (distance) C4'-P energy: -66.971
bonds (distance) P-C4' energy: -75.543
flat angles C4'-P-C4' energy: -70.307
flat angles P-C4'-P energy: -55.896
tors. eta vs tors. theta energy: -104.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 464
Temperature: 1.050000
Total energy: -1242.032709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1242.032709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1242.032709 (E_RNA)
where:
Base-Base interactions energy: -872.638
where: short stacking energy: -346.262
Base-Backbone interact. energy: -0.990
local terms energy: -368.404998
where:
bonds (distance) C4'-P energy: -65.747
bonds (distance) P-C4' energy: -67.104
flat angles C4'-P-C4' energy: -80.378
flat angles P-C4'-P energy: -54.325
tors. eta vs tors. theta energy: -100.850
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: 1
=====================================
Write number: 464
Temperature: 1.100000
Total energy: -1078.051756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1078.051756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1078.051756 (E_RNA)
where:
Base-Base interactions energy: -688.159
where: short stacking energy: -321.716
Base-Backbone interact. energy: -2.355
local terms energy: -387.537728
where:
bonds (distance) C4'-P energy: -72.022
bonds (distance) P-C4' energy: -78.348
flat angles C4'-P-C4' energy: -85.332
flat angles P-C4'-P energy: -50.477
tors. eta vs tors. theta energy: -101.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 464
Temperature: 1.150000
Total energy: -1065.381189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1065.381189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1065.381189 (E_RNA)
where:
Base-Base interactions energy: -728.291
where: short stacking energy: -305.882
Base-Backbone interact. energy: -3.524
local terms energy: -333.566733
where:
bonds (distance) C4'-P energy: -56.456
bonds (distance) P-C4' energy: -70.643
flat angles C4'-P-C4' energy: -73.915
flat angles P-C4'-P energy: -42.740
tors. eta vs tors. theta energy: -89.814
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: 7, replica: 10
=====================================
Write number: 464
Temperature: 1.200000
Total energy: -847.796315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -847.796315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -847.796315 (E_RNA)
where:
Base-Base interactions energy: -525.884
where: short stacking energy: -247.314
Base-Backbone interact. energy: 0.128
local terms energy: -322.040245
where:
bonds (distance) C4'-P energy: -78.299
bonds (distance) P-C4' energy: -56.025
flat angles C4'-P-C4' energy: -76.119
flat angles P-C4'-P energy: -50.283
tors. eta vs tors. theta energy: -61.313
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: 2
=====================================
Write number: 464
Temperature: 1.250000
Total energy: -848.400928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -848.400928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -848.400928 (E_RNA)
where:
Base-Base interactions energy: -552.503
where: short stacking energy: -248.747
Base-Backbone interact. energy: -1.037
local terms energy: -294.861443
where:
bonds (distance) C4'-P energy: -52.826
bonds (distance) P-C4' energy: -71.221
flat angles C4'-P-C4' energy: -73.870
flat angles P-C4'-P energy: -44.002
tors. eta vs tors. theta energy: -52.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 464
Temperature: 1.300000
Total energy: -710.926218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -710.926218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -710.926218 (E_RNA)
where:
Base-Base interactions energy: -447.083
where: short stacking energy: -221.769
Base-Backbone interact. energy: 0.241
local terms energy: -264.083490
where:
bonds (distance) C4'-P energy: -63.260
bonds (distance) P-C4' energy: -62.574
flat angles C4'-P-C4' energy: -59.678
flat angles P-C4'-P energy: -46.351
tors. eta vs tors. theta energy: -32.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 464
Temperature: 1.350000
Total energy: -588.740478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -588.740478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -588.740478 (E_RNA)
where:
Base-Base interactions energy: -340.677
where: short stacking energy: -176.102
Base-Backbone interact. energy: 0.035
local terms energy: -249.702810
where:
bonds (distance) C4'-P energy: -64.394
bonds (distance) P-C4' energy: -59.903
flat angles C4'-P-C4' energy: -60.027
flat angles P-C4'-P energy: -35.107
tors. eta vs tors. theta energy: -30.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.604 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 465
Temperature: 0.900000
Total energy: -1422.294847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1422.294847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1422.294847 (E_RNA)
where:
Base-Base interactions energy: -1000.852
where: short stacking energy: -415.303
Base-Backbone interact. energy: -1.226
local terms energy: -420.216461
where:
bonds (distance) C4'-P energy: -74.735
bonds (distance) P-C4' energy: -76.280
flat angles C4'-P-C4' energy: -88.148
flat angles P-C4'-P energy: -58.588
tors. eta vs tors. theta energy: -122.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 465
Temperature: 0.950000
Total energy: -1355.572438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1355.572438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1355.572438 (E_RNA)
where:
Base-Base interactions energy: -952.412
where: short stacking energy: -372.885
Base-Backbone interact. energy: -2.972
local terms energy: -400.187799
where:
bonds (distance) C4'-P energy: -74.383
bonds (distance) P-C4' energy: -78.985
flat angles C4'-P-C4' energy: -74.472
flat angles P-C4'-P energy: -67.001
tors. eta vs tors. theta energy: -105.347
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: 4
=====================================
Write number: 465
Temperature: 1.000000
Total energy: -1304.082883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1304.082883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1304.082883 (E_RNA)
where:
Base-Base interactions energy: -922.553
where: short stacking energy: -383.530
Base-Backbone interact. energy: -3.998
local terms energy: -377.531866
where:
bonds (distance) C4'-P energy: -61.031
bonds (distance) P-C4' energy: -72.979
flat angles C4'-P-C4' energy: -80.593
flat angles P-C4'-P energy: -58.175
tors. eta vs tors. theta energy: -104.754
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: 9
=====================================
Write number: 465
Temperature: 1.050000
Total energy: -1216.757158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1216.757158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1216.757158 (E_RNA)
where:
Base-Base interactions energy: -862.639
where: short stacking energy: -323.203
Base-Backbone interact. energy: -0.824
local terms energy: -353.294253
where:
bonds (distance) C4'-P energy: -77.030
bonds (distance) P-C4' energy: -71.146
flat angles C4'-P-C4' energy: -70.554
flat angles P-C4'-P energy: -38.169
tors. eta vs tors. theta energy: -96.395
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: 1
=====================================
Write number: 465
Temperature: 1.100000
Total energy: -1094.518982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1094.518982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1094.518982 (E_RNA)
where:
Base-Base interactions energy: -709.715
where: short stacking energy: -317.538
Base-Backbone interact. energy: -1.013
local terms energy: -383.791037
where:
bonds (distance) C4'-P energy: -76.261
bonds (distance) P-C4' energy: -79.815
flat angles C4'-P-C4' energy: -71.413
flat angles P-C4'-P energy: -66.882
tors. eta vs tors. theta energy: -89.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 465
Temperature: 1.150000
Total energy: -1069.463319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1069.463319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1069.463319 (E_RNA)
where:
Base-Base interactions energy: -713.486
where: short stacking energy: -308.622
Base-Backbone interact. energy: -0.808
local terms energy: -355.169378
where:
bonds (distance) C4'-P energy: -65.998
bonds (distance) P-C4' energy: -76.257
flat angles C4'-P-C4' energy: -80.127
flat angles P-C4'-P energy: -46.000
tors. eta vs tors. theta energy: -86.787
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: 10
=====================================
Write number: 465
Temperature: 1.200000
Total energy: -884.917764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -884.917764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -884.917764 (E_RNA)
where:
Base-Base interactions energy: -587.988
where: short stacking energy: -261.876
Base-Backbone interact. energy: -3.510
local terms energy: -293.419802
where:
bonds (distance) C4'-P energy: -64.534
bonds (distance) P-C4' energy: -57.954
flat angles C4'-P-C4' energy: -71.657
flat angles P-C4'-P energy: -36.500
tors. eta vs tors. theta energy: -62.774
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: 2
=====================================
Write number: 465
Temperature: 1.250000
Total energy: -863.370236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -863.370236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -863.370236 (E_RNA)
where:
Base-Base interactions energy: -571.269
where: short stacking energy: -262.120
Base-Backbone interact. energy: 2.818
local terms energy: -294.919884
where:
bonds (distance) C4'-P energy: -59.974
bonds (distance) P-C4' energy: -62.269
flat angles C4'-P-C4' energy: -66.072
flat angles P-C4'-P energy: -53.641
tors. eta vs tors. theta energy: -52.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 465
Temperature: 1.300000
Total energy: -732.840009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -732.840009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -732.840009 (E_RNA)
where:
Base-Base interactions energy: -471.268
where: short stacking energy: -225.222
Base-Backbone interact. energy: -0.580
local terms energy: -260.991916
where:
bonds (distance) C4'-P energy: -60.812
bonds (distance) P-C4' energy: -54.304
flat angles C4'-P-C4' energy: -65.271
flat angles P-C4'-P energy: -42.017
tors. eta vs tors. theta energy: -38.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 465
Temperature: 1.350000
Total energy: -574.044309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -574.044309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -574.044309 (E_RNA)
where:
Base-Base interactions energy: -326.072
where: short stacking energy: -173.268
Base-Backbone interact. energy: -0.709
local terms energy: -247.958424
where:
bonds (distance) C4'-P energy: -58.465
bonds (distance) P-C4' energy: -56.563
flat angles C4'-P-C4' energy: -72.881
flat angles P-C4'-P energy: -37.317
tors. eta vs tors. theta energy: -22.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.695 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 466
Temperature: 0.900000
Total energy: -1445.131107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1445.131107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1445.131107 (E_RNA)
where:
Base-Base interactions energy: -1014.320
where: short stacking energy: -430.048
Base-Backbone interact. energy: -2.879
local terms energy: -427.932113
where:
bonds (distance) C4'-P energy: -73.819
bonds (distance) P-C4' energy: -82.204
flat angles C4'-P-C4' energy: -92.079
flat angles P-C4'-P energy: -54.717
tors. eta vs tors. theta energy: -125.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 466
Temperature: 0.950000
Total energy: -1378.521499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1378.521499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1378.521499 (E_RNA)
where:
Base-Base interactions energy: -971.582
where: short stacking energy: -390.561
Base-Backbone interact. energy: -2.262
local terms energy: -404.677569
where:
bonds (distance) C4'-P energy: -76.272
bonds (distance) P-C4' energy: -73.244
flat angles C4'-P-C4' energy: -75.883
flat angles P-C4'-P energy: -63.776
tors. eta vs tors. theta energy: -115.502
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: 3, replica: 4
=====================================
Write number: 466
Temperature: 1.000000
Total energy: -1268.842409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1268.842409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1268.842409 (E_RNA)
where:
Base-Base interactions energy: -875.023
where: short stacking energy: -346.696
Base-Backbone interact. energy: -1.691
local terms energy: -392.128350
where:
bonds (distance) C4'-P energy: -73.543
bonds (distance) P-C4' energy: -86.049
flat angles C4'-P-C4' energy: -78.173
flat angles P-C4'-P energy: -60.328
tors. eta vs tors. theta energy: -94.035
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: 4, replica: 9
=====================================
Write number: 466
Temperature: 1.050000
Total energy: -1165.873431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1165.873431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1165.873431 (E_RNA)
where:
Base-Base interactions energy: -821.111
where: short stacking energy: -349.186
Base-Backbone interact. energy: 0.763
local terms energy: -345.526275
where:
bonds (distance) C4'-P energy: -59.819
bonds (distance) P-C4' energy: -65.684
flat angles C4'-P-C4' energy: -84.539
flat angles P-C4'-P energy: -50.558
tors. eta vs tors. theta energy: -84.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 466
Temperature: 1.100000
Total energy: -1071.237102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1071.237102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1071.237102 (E_RNA)
where:
Base-Base interactions energy: -732.120
where: short stacking energy: -320.663
Base-Backbone interact. energy: -0.532
local terms energy: -338.585298
where:
bonds (distance) C4'-P energy: -60.060
bonds (distance) P-C4' energy: -72.170
flat angles C4'-P-C4' energy: -70.290
flat angles P-C4'-P energy: -51.397
tors. eta vs tors. theta energy: -84.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 466
Temperature: 1.150000
Total energy: -1057.090921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1057.090921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1057.090921 (E_RNA)
where:
Base-Base interactions energy: -711.908
where: short stacking energy: -301.170
Base-Backbone interact. energy: -2.742
local terms energy: -342.440498
where:
bonds (distance) C4'-P energy: -51.716
bonds (distance) P-C4' energy: -73.522
flat angles C4'-P-C4' energy: -83.750
flat angles P-C4'-P energy: -49.685
tors. eta vs tors. theta energy: -83.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 466
Temperature: 1.200000
Total energy: -904.548686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -904.548686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -904.548686 (E_RNA)
where:
Base-Base interactions energy: -594.657
where: short stacking energy: -273.714
Base-Backbone interact. energy: -1.247
local terms energy: -308.645084
where:
bonds (distance) C4'-P energy: -59.006
bonds (distance) P-C4' energy: -75.444
flat angles C4'-P-C4' energy: -73.265
flat angles P-C4'-P energy: -41.400
tors. eta vs tors. theta energy: -59.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 466
Temperature: 1.250000
Total energy: -863.637679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -863.637679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -863.637679 (E_RNA)
where:
Base-Base interactions energy: -555.059
where: short stacking energy: -254.814
Base-Backbone interact. energy: -0.211
local terms energy: -308.368222
where:
bonds (distance) C4'-P energy: -70.426
bonds (distance) P-C4' energy: -70.456
flat angles C4'-P-C4' energy: -64.667
flat angles P-C4'-P energy: -46.850
tors. eta vs tors. theta energy: -55.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 466
Temperature: 1.300000
Total energy: -728.895616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -728.895616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -728.895616 (E_RNA)
where:
Base-Base interactions energy: -471.300
where: short stacking energy: -195.090
Base-Backbone interact. energy: -0.020
local terms energy: -257.575876
where:
bonds (distance) C4'-P energy: -59.021
bonds (distance) P-C4' energy: -63.882
flat angles C4'-P-C4' energy: -58.140
flat angles P-C4'-P energy: -40.030
tors. eta vs tors. theta energy: -36.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 466
Temperature: 1.350000
Total energy: -570.763546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -570.763546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -570.763546 (E_RNA)
where:
Base-Base interactions energy: -345.251
where: short stacking energy: -162.778
Base-Backbone interact. energy: -1.034
local terms energy: -224.478768
where:
bonds (distance) C4'-P energy: -52.539
bonds (distance) P-C4' energy: -62.371
flat angles C4'-P-C4' energy: -58.828
flat angles P-C4'-P energy: -34.741
tors. eta vs tors. theta energy: -16.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 467
Temperature: 0.900000
Total energy: -1418.860455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1418.860455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1418.860455 (E_RNA)
where:
Base-Base interactions energy: -977.255
where: short stacking energy: -415.124
Base-Backbone interact. energy: 1.501
local terms energy: -443.106685
where:
bonds (distance) C4'-P energy: -71.847
bonds (distance) P-C4' energy: -88.753
flat angles C4'-P-C4' energy: -89.309
flat angles P-C4'-P energy: -66.138
tors. eta vs tors. theta energy: -127.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 467
Temperature: 0.950000
Total energy: -1354.791767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1354.791767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1354.791767 (E_RNA)
where:
Base-Base interactions energy: -939.525
where: short stacking energy: -373.850
Base-Backbone interact. energy: -1.959
local terms energy: -413.307558
where:
bonds (distance) C4'-P energy: -79.689
bonds (distance) P-C4' energy: -70.633
flat angles C4'-P-C4' energy: -91.558
flat angles P-C4'-P energy: -62.178
tors. eta vs tors. theta energy: -109.250
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: 4
=====================================
Write number: 467
Temperature: 1.000000
Total energy: -1270.645818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1270.645818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1270.645818 (E_RNA)
where:
Base-Base interactions energy: -885.022
where: short stacking energy: -351.321
Base-Backbone interact. energy: -1.257
local terms energy: -384.367101
where:
bonds (distance) C4'-P energy: -70.475
bonds (distance) P-C4' energy: -73.142
flat angles C4'-P-C4' energy: -85.486
flat angles P-C4'-P energy: -56.747
tors. eta vs tors. theta energy: -98.517
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: 9
=====================================
Write number: 467
Temperature: 1.050000
Total energy: -1192.208668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1192.208668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1192.208668 (E_RNA)
where:
Base-Base interactions energy: -829.965
where: short stacking energy: -343.623
Base-Backbone interact. energy: -2.569
local terms energy: -359.674037
where:
bonds (distance) C4'-P energy: -67.269
bonds (distance) P-C4' energy: -71.502
flat angles C4'-P-C4' energy: -77.449
flat angles P-C4'-P energy: -53.221
tors. eta vs tors. theta energy: -90.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 467
Temperature: 1.100000
Total energy: -1093.511688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1093.511688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1093.511688 (E_RNA)
where:
Base-Base interactions energy: -735.954
where: short stacking energy: -316.456
Base-Backbone interact. energy: -1.894
local terms energy: -355.663525
where:
bonds (distance) C4'-P energy: -61.798
bonds (distance) P-C4' energy: -77.592
flat angles C4'-P-C4' energy: -78.788
flat angles P-C4'-P energy: -46.950
tors. eta vs tors. theta energy: -90.536
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: 6, replica: 1
=====================================
Write number: 467
Temperature: 1.150000
Total energy: -1010.692483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1010.692483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1010.692483 (E_RNA)
where:
Base-Base interactions energy: -689.194
where: short stacking energy: -304.876
Base-Backbone interact. energy: -2.059
local terms energy: -319.439379
where:
bonds (distance) C4'-P energy: -59.629
bonds (distance) P-C4' energy: -63.799
flat angles C4'-P-C4' energy: -66.982
flat angles P-C4'-P energy: -51.110
tors. eta vs tors. theta energy: -77.918
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: 2
=====================================
Write number: 467
Temperature: 1.200000
Total energy: -890.068540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -890.068540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -890.068540 (E_RNA)
where:
Base-Base interactions energy: -588.938
where: short stacking energy: -257.890
Base-Backbone interact. energy: -3.812
local terms energy: -297.317878
where:
bonds (distance) C4'-P energy: -50.990
bonds (distance) P-C4' energy: -71.850
flat angles C4'-P-C4' energy: -71.161
flat angles P-C4'-P energy: -40.354
tors. eta vs tors. theta energy: -62.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 467
Temperature: 1.250000
Total energy: -847.826507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -847.826507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -847.826507 (E_RNA)
where:
Base-Base interactions energy: -546.499
where: short stacking energy: -256.976
Base-Backbone interact. energy: 1.987
local terms energy: -303.314508
where:
bonds (distance) C4'-P energy: -71.306
bonds (distance) P-C4' energy: -60.372
flat angles C4'-P-C4' energy: -77.615
flat angles P-C4'-P energy: -37.743
tors. eta vs tors. theta energy: -56.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 467
Temperature: 1.300000
Total energy: -812.229768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -812.229768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -812.229768 (E_RNA)
where:
Base-Base interactions energy: -533.625
where: short stacking energy: -218.055
Base-Backbone interact. energy: -1.857
local terms energy: -276.747910
where:
bonds (distance) C4'-P energy: -68.499
bonds (distance) P-C4' energy: -49.817
flat angles C4'-P-C4' energy: -70.907
flat angles P-C4'-P energy: -36.855
tors. eta vs tors. theta energy: -50.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 467
Temperature: 1.350000
Total energy: -564.741067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -564.741067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -564.741067 (E_RNA)
where:
Base-Base interactions energy: -323.665
where: short stacking energy: -170.106
Base-Backbone interact. energy: 1.211
local terms energy: -242.287477
where:
bonds (distance) C4'-P energy: -55.151
bonds (distance) P-C4' energy: -71.008
flat angles C4'-P-C4' energy: -57.592
flat angles P-C4'-P energy: -33.413
tors. eta vs tors. theta energy: -25.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 468
Temperature: 0.900000
Total energy: -1423.744732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1423.744732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1423.744732 (E_RNA)
where:
Base-Base interactions energy: -997.588
where: short stacking energy: -402.708
Base-Backbone interact. energy: -0.004
local terms energy: -426.153117
where:
bonds (distance) C4'-P energy: -85.044
bonds (distance) P-C4' energy: -75.211
flat angles C4'-P-C4' energy: -86.642
flat angles P-C4'-P energy: -69.680
tors. eta vs tors. theta energy: -109.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 468
Temperature: 0.950000
Total energy: -1358.814362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1358.814362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1358.814362 (E_RNA)
where:
Base-Base interactions energy: -956.647
where: short stacking energy: -386.251
Base-Backbone interact. energy: -1.416
local terms energy: -400.751793
where:
bonds (distance) C4'-P energy: -67.196
bonds (distance) P-C4' energy: -77.137
flat angles C4'-P-C4' energy: -83.378
flat angles P-C4'-P energy: -66.063
tors. eta vs tors. theta energy: -106.978
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: 4
=====================================
Write number: 468
Temperature: 1.000000
Total energy: -1291.842771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1291.842771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1291.842771 (E_RNA)
where:
Base-Base interactions energy: -903.052
where: short stacking energy: -352.763
Base-Backbone interact. energy: 0.601
local terms energy: -389.392238
where:
bonds (distance) C4'-P energy: -82.244
bonds (distance) P-C4' energy: -74.036
flat angles C4'-P-C4' energy: -81.156
flat angles P-C4'-P energy: -54.668
tors. eta vs tors. theta energy: -97.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 468
Temperature: 1.050000
Total energy: -1209.554029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1209.554029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1209.554029 (E_RNA)
where:
Base-Base interactions energy: -834.067
where: short stacking energy: -348.828
Base-Backbone interact. energy: 2.598
local terms energy: -378.085063
where:
bonds (distance) C4'-P energy: -63.429
bonds (distance) P-C4' energy: -82.123
flat angles C4'-P-C4' energy: -82.974
flat angles P-C4'-P energy: -58.191
tors. eta vs tors. theta energy: -91.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 468
Temperature: 1.100000
Total energy: -1090.766816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1090.766816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1090.766816 (E_RNA)
where:
Base-Base interactions energy: -740.091
where: short stacking energy: -330.542
Base-Backbone interact. energy: -0.366
local terms energy: -350.309998
where:
bonds (distance) C4'-P energy: -66.998
bonds (distance) P-C4' energy: -59.002
flat angles C4'-P-C4' energy: -76.544
flat angles P-C4'-P energy: -54.688
tors. eta vs tors. theta energy: -93.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 468
Temperature: 1.150000
Total energy: -1061.186751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1061.186751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1061.186751 (E_RNA)
where:
Base-Base interactions energy: -701.515
where: short stacking energy: -319.897
Base-Backbone interact. energy: -1.670
local terms energy: -358.002495
where:
bonds (distance) C4'-P energy: -68.565
bonds (distance) P-C4' energy: -69.115
flat angles C4'-P-C4' energy: -84.489
flat angles P-C4'-P energy: -45.194
tors. eta vs tors. theta energy: -90.640
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: 7, replica: 2
=====================================
Write number: 468
Temperature: 1.200000
Total energy: -895.132559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -895.132559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -895.132559 (E_RNA)
where:
Base-Base interactions energy: -587.925
where: short stacking energy: -279.265
Base-Backbone interact. energy: -0.285
local terms energy: -306.922581
where:
bonds (distance) C4'-P energy: -71.466
bonds (distance) P-C4' energy: -70.656
flat angles C4'-P-C4' energy: -73.342
flat angles P-C4'-P energy: -33.340
tors. eta vs tors. theta energy: -58.119
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: 10
=====================================
Write number: 468
Temperature: 1.250000
Total energy: -875.611043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -875.611043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -875.611043 (E_RNA)
where:
Base-Base interactions energy: -559.433
where: short stacking energy: -242.551
Base-Backbone interact. energy: -1.526
local terms energy: -314.651513
where:
bonds (distance) C4'-P energy: -70.622
bonds (distance) P-C4' energy: -77.498
flat angles C4'-P-C4' energy: -61.688
flat angles P-C4'-P energy: -38.730
tors. eta vs tors. theta energy: -66.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 468
Temperature: 1.300000
Total energy: -756.661424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -756.661424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -756.661424 (E_RNA)
where:
Base-Base interactions energy: -482.415
where: short stacking energy: -227.109
Base-Backbone interact. energy: -0.548
local terms energy: -273.697680
where:
bonds (distance) C4'-P energy: -62.987
bonds (distance) P-C4' energy: -67.535
flat angles C4'-P-C4' energy: -53.517
flat angles P-C4'-P energy: -43.382
tors. eta vs tors. theta energy: -46.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 468
Temperature: 1.350000
Total energy: -612.060759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -612.060759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -612.060759 (E_RNA)
where:
Base-Base interactions energy: -370.935
where: short stacking energy: -180.015
Base-Backbone interact. energy: 0.878
local terms energy: -242.003708
where:
bonds (distance) C4'-P energy: -67.236
bonds (distance) P-C4' energy: -67.597
flat angles C4'-P-C4' energy: -55.858
flat angles P-C4'-P energy: -20.750
tors. eta vs tors. theta energy: -30.563
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: 469
Temperature: 0.900000
Total energy: -1432.759922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1432.759922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1432.759922 (E_RNA)
where:
Base-Base interactions energy: -1024.730
where: short stacking energy: -416.185
Base-Backbone interact. energy: 0.581
local terms energy: -408.611241
where:
bonds (distance) C4'-P energy: -76.756
bonds (distance) P-C4' energy: -71.265
flat angles C4'-P-C4' energy: -83.197
flat angles P-C4'-P energy: -62.989
tors. eta vs tors. theta energy: -114.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 469
Temperature: 0.950000
Total energy: -1376.423266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1376.423266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1376.423266 (E_RNA)
where:
Base-Base interactions energy: -955.548
where: short stacking energy: -393.138
Base-Backbone interact. energy: -2.278
local terms energy: -418.597518
where:
bonds (distance) C4'-P energy: -74.145
bonds (distance) P-C4' energy: -80.341
flat angles C4'-P-C4' energy: -100.044
flat angles P-C4'-P energy: -55.278
tors. eta vs tors. theta energy: -108.789
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: 3, replica: 4
=====================================
Write number: 469
Temperature: 1.000000
Total energy: -1300.812277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1300.812277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1300.812277 (E_RNA)
where:
Base-Base interactions energy: -918.805
where: short stacking energy: -375.421
Base-Backbone interact. energy: -1.946
local terms energy: -380.061050
where:
bonds (distance) C4'-P energy: -69.308
bonds (distance) P-C4' energy: -75.183
flat angles C4'-P-C4' energy: -85.607
flat angles P-C4'-P energy: -44.500
tors. eta vs tors. theta energy: -105.463
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: 9
=====================================
Write number: 469
Temperature: 1.050000
Total energy: -1225.845100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1225.845100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1225.845100 (E_RNA)
where:
Base-Base interactions energy: -853.776
where: short stacking energy: -363.973
Base-Backbone interact. energy: -0.922
local terms energy: -371.146776
where:
bonds (distance) C4'-P energy: -72.746
bonds (distance) P-C4' energy: -78.207
flat angles C4'-P-C4' energy: -83.152
flat angles P-C4'-P energy: -54.073
tors. eta vs tors. theta energy: -82.969
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: 3
=====================================
Write number: 469
Temperature: 1.100000
Total energy: -1046.524372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1046.524372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1046.524372 (E_RNA)
where:
Base-Base interactions energy: -709.520
where: short stacking energy: -323.984
Base-Backbone interact. energy: -1.630
local terms energy: -335.374176
where:
bonds (distance) C4'-P energy: -61.167
bonds (distance) P-C4' energy: -73.758
flat angles C4'-P-C4' energy: -70.383
flat angles P-C4'-P energy: -41.847
tors. eta vs tors. theta energy: -88.219
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: 6, replica: 1
=====================================
Write number: 469
Temperature: 1.150000
Total energy: -1059.542378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1059.542378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1059.542378 (E_RNA)
where:
Base-Base interactions energy: -694.708
where: short stacking energy: -291.549
Base-Backbone interact. energy: -0.202
local terms energy: -364.631749
where:
bonds (distance) C4'-P energy: -73.886
bonds (distance) P-C4' energy: -71.698
flat angles C4'-P-C4' energy: -86.343
flat angles P-C4'-P energy: -51.685
tors. eta vs tors. theta energy: -81.020
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: 7, replica: 2
=====================================
Write number: 469
Temperature: 1.200000
Total energy: -921.559907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -921.559907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -921.559907 (E_RNA)
where:
Base-Base interactions energy: -622.547
where: short stacking energy: -287.260
Base-Backbone interact. energy: -1.083
local terms energy: -297.930356
where:
bonds (distance) C4'-P energy: -70.930
bonds (distance) P-C4' energy: -61.194
flat angles C4'-P-C4' energy: -65.868
flat angles P-C4'-P energy: -36.317
tors. eta vs tors. theta energy: -63.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 469
Temperature: 1.250000
Total energy: -840.898284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -840.898284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -840.898284 (E_RNA)
where:
Base-Base interactions energy: -542.952
where: short stacking energy: -250.623
Base-Backbone interact. energy: -0.862
local terms energy: -297.083853
where:
bonds (distance) C4'-P energy: -64.103
bonds (distance) P-C4' energy: -69.749
flat angles C4'-P-C4' energy: -70.412
flat angles P-C4'-P energy: -41.951
tors. eta vs tors. theta energy: -50.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 469
Temperature: 1.300000
Total energy: -719.925515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -719.925515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -719.925515 (E_RNA)
where:
Base-Base interactions energy: -463.989
where: short stacking energy: -228.220
Base-Backbone interact. energy: -0.958
local terms energy: -255.797771
where:
bonds (distance) C4'-P energy: -34.894
bonds (distance) P-C4' energy: -74.923
flat angles C4'-P-C4' energy: -68.846
flat angles P-C4'-P energy: -36.740
tors. eta vs tors. theta energy: -40.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.819 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 469
Temperature: 1.350000
Total energy: -645.059684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -645.059684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -645.059684 (E_RNA)
where:
Base-Base interactions energy: -399.787
where: short stacking energy: -177.877
Base-Backbone interact. energy: -1.854
local terms energy: -243.419395
where:
bonds (distance) C4'-P energy: -67.485
bonds (distance) P-C4' energy: -52.270
flat angles C4'-P-C4' energy: -52.657
flat angles P-C4'-P energy: -41.096
tors. eta vs tors. theta energy: -29.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 470
Temperature: 0.900000
Total energy: -1424.264926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1424.264926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1424.264926 (E_RNA)
where:
Base-Base interactions energy: -1003.492
where: short stacking energy: -405.716
Base-Backbone interact. energy: -0.325
local terms energy: -420.448009
where:
bonds (distance) C4'-P energy: -77.233
bonds (distance) P-C4' energy: -84.739
flat angles C4'-P-C4' energy: -87.818
flat angles P-C4'-P energy: -56.992
tors. eta vs tors. theta energy: -113.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 470
Temperature: 0.950000
Total energy: -1369.523425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1369.523425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1369.523425 (E_RNA)
where:
Base-Base interactions energy: -949.229
where: short stacking energy: -376.907
Base-Backbone interact. energy: -1.813
local terms energy: -418.482039
where:
bonds (distance) C4'-P energy: -68.666
bonds (distance) P-C4' energy: -83.326
flat angles C4'-P-C4' energy: -88.522
flat angles P-C4'-P energy: -62.315
tors. eta vs tors. theta energy: -115.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 470
Temperature: 1.000000
Total energy: -1312.424484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1312.424484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1312.424484 (E_RNA)
where:
Base-Base interactions energy: -904.592
where: short stacking energy: -357.117
Base-Backbone interact. energy: -2.652
local terms energy: -405.180696
where:
bonds (distance) C4'-P energy: -72.034
bonds (distance) P-C4' energy: -87.016
flat angles C4'-P-C4' energy: -80.377
flat angles P-C4'-P energy: -60.612
tors. eta vs tors. theta energy: -105.142
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: 4, replica: 9
=====================================
Write number: 470
Temperature: 1.050000
Total energy: -1205.359421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1205.359421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1205.359421 (E_RNA)
where:
Base-Base interactions energy: -843.728
where: short stacking energy: -342.497
Base-Backbone interact. energy: -1.337
local terms energy: -360.293966
where:
bonds (distance) C4'-P energy: -64.723
bonds (distance) P-C4' energy: -73.439
flat angles C4'-P-C4' energy: -83.873
flat angles P-C4'-P energy: -49.929
tors. eta vs tors. theta energy: -88.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 470
Temperature: 1.100000
Total energy: -1117.193380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1117.193380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1117.193380 (E_RNA)
where:
Base-Base interactions energy: -748.583
where: short stacking energy: -342.653
Base-Backbone interact. energy: -0.242
local terms energy: -368.368736
where:
bonds (distance) C4'-P energy: -74.824
bonds (distance) P-C4' energy: -74.601
flat angles C4'-P-C4' energy: -71.461
flat angles P-C4'-P energy: -49.210
tors. eta vs tors. theta energy: -98.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 470
Temperature: 1.150000
Total energy: -1081.325928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1081.325928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1081.325928 (E_RNA)
where:
Base-Base interactions energy: -730.391
where: short stacking energy: -327.053
Base-Backbone interact. energy: -1.214
local terms energy: -349.721061
where:
bonds (distance) C4'-P energy: -70.537
bonds (distance) P-C4' energy: -69.549
flat angles C4'-P-C4' energy: -75.766
flat angles P-C4'-P energy: -44.392
tors. eta vs tors. theta energy: -89.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 470
Temperature: 1.200000
Total energy: -896.726024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -896.726024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -896.726024 (E_RNA)
where:
Base-Base interactions energy: -593.920
where: short stacking energy: -267.865
Base-Backbone interact. energy: -0.862
local terms energy: -302.300129
where:
bonds (distance) C4'-P energy: -56.465
bonds (distance) P-C4' energy: -69.360
flat angles C4'-P-C4' energy: -67.825
flat angles P-C4'-P energy: -44.083
tors. eta vs tors. theta energy: -64.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.356 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 470
Temperature: 1.250000
Total energy: -887.272946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -887.272946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -887.272946 (E_RNA)
where:
Base-Base interactions energy: -566.865
where: short stacking energy: -247.446
Base-Backbone interact. energy: -2.386
local terms energy: -318.022710
where:
bonds (distance) C4'-P energy: -62.461
bonds (distance) P-C4' energy: -74.736
flat angles C4'-P-C4' energy: -79.940
flat angles P-C4'-P energy: -45.683
tors. eta vs tors. theta energy: -55.202
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: 8
=====================================
Write number: 470
Temperature: 1.300000
Total energy: -645.465834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -645.465834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -645.465834 (E_RNA)
where:
Base-Base interactions energy: -371.980
where: short stacking energy: -170.369
Base-Backbone interact. energy: -1.682
local terms energy: -271.803083
where:
bonds (distance) C4'-P energy: -65.648
bonds (distance) P-C4' energy: -71.968
flat angles C4'-P-C4' energy: -65.719
flat angles P-C4'-P energy: -45.815
tors. eta vs tors. theta energy: -22.653
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: 6
=====================================
Write number: 470
Temperature: 1.350000
Total energy: -675.785759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -675.785759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -675.785759 (E_RNA)
where:
Base-Base interactions energy: -399.847
where: short stacking energy: -192.507
Base-Backbone interact. energy: 3.652
local terms energy: -279.590163
where:
bonds (distance) C4'-P energy: -66.232
bonds (distance) P-C4' energy: -63.595
flat angles C4'-P-C4' energy: -63.299
flat angles P-C4'-P energy: -41.162
tors. eta vs tors. theta energy: -45.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 471
Temperature: 0.900000
Total energy: -1437.828170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1437.828170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1437.828170 (E_RNA)
where:
Base-Base interactions energy: -1016.634
where: short stacking energy: -398.327
Base-Backbone interact. energy: -2.816
local terms energy: -418.378191
where:
bonds (distance) C4'-P energy: -81.149
bonds (distance) P-C4' energy: -78.440
flat angles C4'-P-C4' energy: -78.335
flat angles P-C4'-P energy: -64.384
tors. eta vs tors. theta energy: -116.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 471
Temperature: 0.950000
Total energy: -1379.094483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1379.094483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1379.094483 (E_RNA)
where:
Base-Base interactions energy: -974.937
where: short stacking energy: -376.355
Base-Backbone interact. energy: -2.464
local terms energy: -401.694052
where:
bonds (distance) C4'-P energy: -72.529
bonds (distance) P-C4' energy: -76.861
flat angles C4'-P-C4' energy: -87.967
flat angles P-C4'-P energy: -55.123
tors. eta vs tors. theta energy: -109.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 471
Temperature: 1.000000
Total energy: -1361.684904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1361.684904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1361.684904 (E_RNA)
where:
Base-Base interactions energy: -965.056
where: short stacking energy: -399.207
Base-Backbone interact. energy: -3.176
local terms energy: -393.452612
where:
bonds (distance) C4'-P energy: -67.541
bonds (distance) P-C4' energy: -70.007
flat angles C4'-P-C4' energy: -88.100
flat angles P-C4'-P energy: -59.903
tors. eta vs tors. theta energy: -107.901
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: 9
=====================================
Write number: 471
Temperature: 1.050000
Total energy: -1227.514405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1227.514405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1227.514405 (E_RNA)
where:
Base-Base interactions energy: -856.013
where: short stacking energy: -344.126
Base-Backbone interact. energy: -1.182
local terms energy: -370.318923
where:
bonds (distance) C4'-P energy: -69.387
bonds (distance) P-C4' energy: -83.943
flat angles C4'-P-C4' energy: -73.331
flat angles P-C4'-P energy: -48.021
tors. eta vs tors. theta energy: -95.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 471
Temperature: 1.100000
Total energy: -1128.399045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1128.399045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1128.399045 (E_RNA)
where:
Base-Base interactions energy: -779.961
where: short stacking energy: -355.902
Base-Backbone interact. energy: -2.433
local terms energy: -346.006001
where:
bonds (distance) C4'-P energy: -74.807
bonds (distance) P-C4' energy: -61.589
flat angles C4'-P-C4' energy: -69.517
flat angles P-C4'-P energy: -48.852
tors. eta vs tors. theta energy: -91.241
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: 471
Temperature: 1.150000
Total energy: -1027.588857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1027.588857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1027.588857 (E_RNA)
where:
Base-Base interactions energy: -700.514
where: short stacking energy: -294.541
Base-Backbone interact. energy: -2.609
local terms energy: -324.465811
where:
bonds (distance) C4'-P energy: -61.869
bonds (distance) P-C4' energy: -65.131
flat angles C4'-P-C4' energy: -72.072
flat angles P-C4'-P energy: -46.406
tors. eta vs tors. theta energy: -78.989
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: 10
=====================================
Write number: 471
Temperature: 1.200000
Total energy: -879.432932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -879.432932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -879.432932 (E_RNA)
where:
Base-Base interactions energy: -563.262
where: short stacking energy: -234.922
Base-Backbone interact. energy: -2.565
local terms energy: -313.606451
where:
bonds (distance) C4'-P energy: -57.530
bonds (distance) P-C4' energy: -77.278
flat angles C4'-P-C4' energy: -77.753
flat angles P-C4'-P energy: -43.897
tors. eta vs tors. theta energy: -57.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 471
Temperature: 1.250000
Total energy: -898.565899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -898.565899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -898.565899 (E_RNA)
where:
Base-Base interactions energy: -573.370
where: short stacking energy: -257.412
Base-Backbone interact. energy: -0.005
local terms energy: -325.190701
where:
bonds (distance) C4'-P energy: -71.246
bonds (distance) P-C4' energy: -75.283
flat angles C4'-P-C4' energy: -71.670
flat angles P-C4'-P energy: -42.477
tors. eta vs tors. theta energy: -64.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 471
Temperature: 1.300000
Total energy: -678.503741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -678.503741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -678.503741 (E_RNA)
where:
Base-Base interactions energy: -398.740
where: short stacking energy: -184.724
Base-Backbone interact. energy: 1.118
local terms energy: -281.265108
where:
bonds (distance) C4'-P energy: -73.505
bonds (distance) P-C4' energy: -68.654
flat angles C4'-P-C4' energy: -70.750
flat angles P-C4'-P energy: -41.481
tors. eta vs tors. theta energy: -26.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.383 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 471
Temperature: 1.350000
Total energy: -594.746448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -594.746448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -594.746448 (E_RNA)
where:
Base-Base interactions energy: -329.768
where: short stacking energy: -170.417
Base-Backbone interact. energy: 3.939
local terms energy: -268.917828
where:
bonds (distance) C4'-P energy: -58.971
bonds (distance) P-C4' energy: -78.070
flat angles C4'-P-C4' energy: -59.018
flat angles P-C4'-P energy: -38.678
tors. eta vs tors. theta energy: -34.181
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: 1, replica: 7
=====================================
Write number: 472
Temperature: 0.900000
Total energy: -1426.807666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1426.807666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1426.807666 (E_RNA)
where:
Base-Base interactions energy: -995.118
where: short stacking energy: -391.807
Base-Backbone interact. energy: -1.877
local terms energy: -429.812943
where:
bonds (distance) C4'-P energy: -65.500
bonds (distance) P-C4' energy: -84.149
flat angles C4'-P-C4' energy: -95.258
flat angles P-C4'-P energy: -67.554
tors. eta vs tors. theta energy: -117.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 472
Temperature: 0.950000
Total energy: -1380.141844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1380.141844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1380.141844 (E_RNA)
where:
Base-Base interactions energy: -952.286
where: short stacking energy: -372.635
Base-Backbone interact. energy: -1.799
local terms energy: -426.056455
where:
bonds (distance) C4'-P energy: -86.265
bonds (distance) P-C4' energy: -80.931
flat angles C4'-P-C4' energy: -89.442
flat angles P-C4'-P energy: -58.330
tors. eta vs tors. theta energy: -111.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 472
Temperature: 1.000000
Total energy: -1326.406408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1326.406408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1326.406408 (E_RNA)
where:
Base-Base interactions energy: -927.028
where: short stacking energy: -361.849
Base-Backbone interact. energy: -5.470
local terms energy: -393.908284
where:
bonds (distance) C4'-P energy: -69.526
bonds (distance) P-C4' energy: -71.418
flat angles C4'-P-C4' energy: -85.607
flat angles P-C4'-P energy: -56.243
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: 4, replica: 9
=====================================
Write number: 472
Temperature: 1.050000
Total energy: -1198.666577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1198.666577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1198.666577 (E_RNA)
where:
Base-Base interactions energy: -838.020
where: short stacking energy: -345.427
Base-Backbone interact. energy: 0.898
local terms energy: -361.544068
where:
bonds (distance) C4'-P energy: -59.941
bonds (distance) P-C4' energy: -73.892
flat angles C4'-P-C4' energy: -80.734
flat angles P-C4'-P energy: -53.596
tors. eta vs tors. theta energy: -93.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 472
Temperature: 1.100000
Total energy: -1105.193137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1105.193137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1105.193137 (E_RNA)
where:
Base-Base interactions energy: -727.894
where: short stacking energy: -328.830
Base-Backbone interact. energy: -1.280
local terms energy: -376.019191
where:
bonds (distance) C4'-P energy: -75.190
bonds (distance) P-C4' energy: -78.921
flat angles C4'-P-C4' energy: -83.128
flat angles P-C4'-P energy: -50.336
tors. eta vs tors. theta energy: -88.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 472
Temperature: 1.150000
Total energy: -1009.164949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1009.164949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1009.164949 (E_RNA)
where:
Base-Base interactions energy: -683.672
where: short stacking energy: -304.720
Base-Backbone interact. energy: -0.444
local terms energy: -325.048750
where:
bonds (distance) C4'-P energy: -63.936
bonds (distance) P-C4' energy: -68.846
flat angles C4'-P-C4' energy: -70.760
flat angles P-C4'-P energy: -43.809
tors. eta vs tors. theta energy: -77.697
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: 2
=====================================
Write number: 472
Temperature: 1.200000
Total energy: -911.689889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -911.689889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -911.689889 (E_RNA)
where:
Base-Base interactions energy: -606.457
where: short stacking energy: -270.719
Base-Backbone interact. energy: 2.267
local terms energy: -309.057893
where:
bonds (distance) C4'-P energy: -63.596
bonds (distance) P-C4' energy: -72.217
flat angles C4'-P-C4' energy: -76.079
flat angles P-C4'-P energy: -35.435
tors. eta vs tors. theta energy: -61.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.558 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 472
Temperature: 1.250000
Total energy: -831.074437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -831.074437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -831.074437 (E_RNA)
where:
Base-Base interactions energy: -537.420
where: short stacking energy: -231.805
Base-Backbone interact. energy: -1.599
local terms energy: -292.054871
where:
bonds (distance) C4'-P energy: -54.947
bonds (distance) P-C4' energy: -80.778
flat angles C4'-P-C4' energy: -73.580
flat angles P-C4'-P energy: -35.793
tors. eta vs tors. theta energy: -46.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 472
Temperature: 1.300000
Total energy: -657.602967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -657.602967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -657.602967 (E_RNA)
where:
Base-Base interactions energy: -424.910
where: short stacking energy: -180.429
Base-Backbone interact. energy: -0.786
local terms energy: -231.906677
where:
bonds (distance) C4'-P energy: -54.095
bonds (distance) P-C4' energy: -52.158
flat angles C4'-P-C4' energy: -63.743
flat angles P-C4'-P energy: -34.754
tors. eta vs tors. theta energy: -27.156
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: 6
=====================================
Write number: 472
Temperature: 1.350000
Total energy: -580.639280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -580.639280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -580.639280 (E_RNA)
where:
Base-Base interactions energy: -362.378
where: short stacking energy: -175.325
Base-Backbone interact. energy: -0.945
local terms energy: -217.316428
where:
bonds (distance) C4'-P energy: -38.415
bonds (distance) P-C4' energy: -66.455
flat angles C4'-P-C4' energy: -51.259
flat angles P-C4'-P energy: -33.029
tors. eta vs tors. theta energy: -28.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 473
Temperature: 0.900000
Total energy: -1423.648724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1423.648724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1423.648724 (E_RNA)
where:
Base-Base interactions energy: -1015.826
where: short stacking energy: -412.161
Base-Backbone interact. energy: -3.019
local terms energy: -404.803493
where:
bonds (distance) C4'-P energy: -71.590
bonds (distance) P-C4' energy: -71.177
flat angles C4'-P-C4' energy: -88.368
flat angles P-C4'-P energy: -58.763
tors. eta vs tors. theta energy: -114.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 473
Temperature: 0.950000
Total energy: -1380.628207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1380.628207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1380.628207 (E_RNA)
where:
Base-Base interactions energy: -956.791
where: short stacking energy: -389.738
Base-Backbone interact. energy: -2.226
local terms energy: -421.611604
where:
bonds (distance) C4'-P energy: -75.328
bonds (distance) P-C4' energy: -83.827
flat angles C4'-P-C4' energy: -90.066
flat angles P-C4'-P energy: -59.927
tors. eta vs tors. theta energy: -112.463
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: 4
=====================================
Write number: 473
Temperature: 1.000000
Total energy: -1318.332384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1318.332384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1318.332384 (E_RNA)
where:
Base-Base interactions energy: -911.308
where: short stacking energy: -364.376
Base-Backbone interact. energy: -3.061
local terms energy: -403.963525
where:
bonds (distance) C4'-P energy: -74.312
bonds (distance) P-C4' energy: -71.750
flat angles C4'-P-C4' energy: -87.886
flat angles P-C4'-P energy: -63.265
tors. eta vs tors. theta energy: -106.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 473
Temperature: 1.050000
Total energy: -1194.943275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1194.943275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1194.943275 (E_RNA)
where:
Base-Base interactions energy: -825.715
where: short stacking energy: -339.810
Base-Backbone interact. energy: 0.518
local terms energy: -369.746572
where:
bonds (distance) C4'-P energy: -80.556
bonds (distance) P-C4' energy: -75.531
flat angles C4'-P-C4' energy: -73.612
flat angles P-C4'-P energy: -57.398
tors. eta vs tors. theta energy: -82.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 473
Temperature: 1.100000
Total energy: -1144.449495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1144.449495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1144.449495 (E_RNA)
where:
Base-Base interactions energy: -775.301
where: short stacking energy: -354.242
Base-Backbone interact. energy: 0.333
local terms energy: -369.481321
where:
bonds (distance) C4'-P energy: -49.235
bonds (distance) P-C4' energy: -79.941
flat angles C4'-P-C4' energy: -86.366
flat angles P-C4'-P energy: -50.179
tors. eta vs tors. theta energy: -103.760
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: 6, replica: 3
=====================================
Write number: 473
Temperature: 1.150000
Total energy: -1023.176863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1023.176863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1023.176863 (E_RNA)
where:
Base-Base interactions energy: -678.589
where: short stacking energy: -298.822
Base-Backbone interact. energy: -0.707
local terms energy: -343.881035
where:
bonds (distance) C4'-P energy: -67.657
bonds (distance) P-C4' energy: -73.032
flat angles C4'-P-C4' energy: -78.775
flat angles P-C4'-P energy: -48.088
tors. eta vs tors. theta energy: -76.329
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: 2
=====================================
Write number: 473
Temperature: 1.200000
Total energy: -906.030419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -906.030419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -906.030419 (E_RNA)
where:
Base-Base interactions energy: -590.152
where: short stacking energy: -268.995
Base-Backbone interact. energy: -0.013
local terms energy: -315.895616
where:
bonds (distance) C4'-P energy: -66.248
bonds (distance) P-C4' energy: -75.267
flat angles C4'-P-C4' energy: -74.760
flat angles P-C4'-P energy: -39.653
tors. eta vs tors. theta energy: -59.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.030 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 473
Temperature: 1.250000
Total energy: -836.121609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -836.121609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -836.121609 (E_RNA)
where:
Base-Base interactions energy: -543.955
where: short stacking energy: -248.364
Base-Backbone interact. energy: 1.341
local terms energy: -293.507166
where:
bonds (distance) C4'-P energy: -71.868
bonds (distance) P-C4' energy: -74.370
flat angles C4'-P-C4' energy: -63.344
flat angles P-C4'-P energy: -32.868
tors. eta vs tors. theta energy: -51.058
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: 8
=====================================
Write number: 473
Temperature: 1.300000
Total energy: -639.355570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -639.355570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -639.355570 (E_RNA)
where:
Base-Base interactions energy: -401.239
where: short stacking energy: -196.295
Base-Backbone interact. energy: -1.871
local terms energy: -236.245325
where:
bonds (distance) C4'-P energy: -45.566
bonds (distance) P-C4' energy: -59.974
flat angles C4'-P-C4' energy: -59.175
flat angles P-C4'-P energy: -40.179
tors. eta vs tors. theta energy: -31.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 473
Temperature: 1.350000
Total energy: -590.515520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -590.515520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -590.515520 (E_RNA)
where:
Base-Base interactions energy: -359.323
where: short stacking energy: -179.940
Base-Backbone interact. energy: 4.569
local terms energy: -235.761517
where:
bonds (distance) C4'-P energy: -56.929
bonds (distance) P-C4' energy: -66.849
flat angles C4'-P-C4' energy: -48.816
flat angles P-C4'-P energy: -40.819
tors. eta vs tors. theta energy: -22.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 474
Temperature: 0.900000
Total energy: -1412.544500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1412.544500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1412.544500 (E_RNA)
where:
Base-Base interactions energy: -987.347
where: short stacking energy: -396.791
Base-Backbone interact. energy: -2.060
local terms energy: -423.137406
where:
bonds (distance) C4'-P energy: -73.775
bonds (distance) P-C4' energy: -79.025
flat angles C4'-P-C4' energy: -90.204
flat angles P-C4'-P energy: -66.062
tors. eta vs tors. theta energy: -114.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 474
Temperature: 0.950000
Total energy: -1380.967743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1380.967743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1380.967743 (E_RNA)
where:
Base-Base interactions energy: -988.578
where: short stacking energy: -397.842
Base-Backbone interact. energy: -3.467
local terms energy: -388.923032
where:
bonds (distance) C4'-P energy: -75.546
bonds (distance) P-C4' energy: -66.168
flat angles C4'-P-C4' energy: -81.810
flat angles P-C4'-P energy: -55.144
tors. eta vs tors. theta energy: -110.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 474
Temperature: 1.000000
Total energy: -1325.269018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1325.269018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1325.269018 (E_RNA)
where:
Base-Base interactions energy: -939.026
where: short stacking energy: -376.988
Base-Backbone interact. energy: -2.508
local terms energy: -383.735012
where:
bonds (distance) C4'-P energy: -70.111
bonds (distance) P-C4' energy: -58.329
flat angles C4'-P-C4' energy: -92.138
flat angles P-C4'-P energy: -51.482
tors. eta vs tors. theta energy: -111.675
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: 9
=====================================
Write number: 474
Temperature: 1.050000
Total energy: -1199.674662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1199.674662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1199.674662 (E_RNA)
where:
Base-Base interactions energy: -835.537
where: short stacking energy: -349.535
Base-Backbone interact. energy: -4.033
local terms energy: -360.104666
where:
bonds (distance) C4'-P energy: -61.768
bonds (distance) P-C4' energy: -70.540
flat angles C4'-P-C4' energy: -83.798
flat angles P-C4'-P energy: -53.933
tors. eta vs tors. theta energy: -90.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 474
Temperature: 1.100000
Total energy: -1084.891674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1084.891674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1084.891674 (E_RNA)
where:
Base-Base interactions energy: -718.945
where: short stacking energy: -316.405
Base-Backbone interact. energy: -0.098
local terms energy: -365.848211
where:
bonds (distance) C4'-P energy: -66.258
bonds (distance) P-C4' energy: -64.879
flat angles C4'-P-C4' energy: -80.890
flat angles P-C4'-P energy: -58.056
tors. eta vs tors. theta energy: -95.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 474
Temperature: 1.150000
Total energy: -1047.971161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1047.971161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1047.971161 (E_RNA)
where:
Base-Base interactions energy: -702.078
where: short stacking energy: -324.654
Base-Backbone interact. energy: -1.719
local terms energy: -344.174712
where:
bonds (distance) C4'-P energy: -63.916
bonds (distance) P-C4' energy: -69.414
flat angles C4'-P-C4' energy: -75.411
flat angles P-C4'-P energy: -45.075
tors. eta vs tors. theta energy: -90.359
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: 2
=====================================
Write number: 474
Temperature: 1.200000
Total energy: -905.491909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -905.491909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -905.491909 (E_RNA)
where:
Base-Base interactions energy: -599.360
where: short stacking energy: -253.596
Base-Backbone interact. energy: -1.478
local terms energy: -304.653843
where:
bonds (distance) C4'-P energy: -64.601
bonds (distance) P-C4' energy: -68.602
flat angles C4'-P-C4' energy: -73.598
flat angles P-C4'-P energy: -41.858
tors. eta vs tors. theta energy: -55.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 474
Temperature: 1.250000
Total energy: -826.159230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -826.159230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -826.159230 (E_RNA)
where:
Base-Base interactions energy: -531.177
where: short stacking energy: -239.460
Base-Backbone interact. energy: -2.293
local terms energy: -292.688708
where:
bonds (distance) C4'-P energy: -68.959
bonds (distance) P-C4' energy: -69.843
flat angles C4'-P-C4' energy: -69.280
flat angles P-C4'-P energy: -41.079
tors. eta vs tors. theta energy: -43.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 474
Temperature: 1.300000
Total energy: -649.712307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -649.712307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -649.712307 (E_RNA)
where:
Base-Base interactions energy: -406.660
where: short stacking energy: -187.257
Base-Backbone interact. energy: 1.244
local terms energy: -244.295779
where:
bonds (distance) C4'-P energy: -61.201
bonds (distance) P-C4' energy: -56.863
flat angles C4'-P-C4' energy: -61.371
flat angles P-C4'-P energy: -41.394
tors. eta vs tors. theta energy: -23.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 474
Temperature: 1.350000
Total energy: -599.818114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -599.818114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -599.818114 (E_RNA)
where:
Base-Base interactions energy: -363.675
where: short stacking energy: -175.672
Base-Backbone interact. energy: -0.665
local terms energy: -235.478706
where:
bonds (distance) C4'-P energy: -72.375
bonds (distance) P-C4' energy: -54.008
flat angles C4'-P-C4' energy: -47.231
flat angles P-C4'-P energy: -40.454
tors. eta vs tors. theta energy: -21.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 475
Temperature: 0.900000
Total energy: -1402.673924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1402.673924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1402.673924 (E_RNA)
where:
Base-Base interactions energy: -986.097
where: short stacking energy: -405.408
Base-Backbone interact. energy: -1.212
local terms energy: -415.364945
where:
bonds (distance) C4'-P energy: -74.282
bonds (distance) P-C4' energy: -81.507
flat angles C4'-P-C4' energy: -84.277
flat angles P-C4'-P energy: -61.079
tors. eta vs tors. theta energy: -114.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 475
Temperature: 0.950000
Total energy: -1385.905801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1385.905801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1385.905801 (E_RNA)
where:
Base-Base interactions energy: -977.285
where: short stacking energy: -408.599
Base-Backbone interact. energy: 0.127
local terms energy: -408.747429
where:
bonds (distance) C4'-P energy: -69.977
bonds (distance) P-C4' energy: -85.510
flat angles C4'-P-C4' energy: -88.138
flat angles P-C4'-P energy: -51.592
tors. eta vs tors. theta energy: -113.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 475
Temperature: 1.000000
Total energy: -1325.150554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1325.150554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1325.150554 (E_RNA)
where:
Base-Base interactions energy: -934.761
where: short stacking energy: -369.815
Base-Backbone interact. energy: -0.986
local terms energy: -389.402881
where:
bonds (distance) C4'-P energy: -73.478
bonds (distance) P-C4' energy: -83.650
flat angles C4'-P-C4' energy: -80.125
flat angles P-C4'-P energy: -44.041
tors. eta vs tors. theta energy: -108.109
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: 9
=====================================
Write number: 475
Temperature: 1.050000
Total energy: -1224.152865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1224.152865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1224.152865 (E_RNA)
where:
Base-Base interactions energy: -831.253
where: short stacking energy: -344.745
Base-Backbone interact. energy: -3.183
local terms energy: -389.716783
where:
bonds (distance) C4'-P energy: -76.874
bonds (distance) P-C4' energy: -76.339
flat angles C4'-P-C4' energy: -85.924
flat angles P-C4'-P energy: -54.050
tors. eta vs tors. theta energy: -96.530
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: 1
=====================================
Write number: 475
Temperature: 1.100000
Total energy: -1107.019921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1107.019921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1107.019921 (E_RNA)
where:
Base-Base interactions energy: -731.950
where: short stacking energy: -316.020
Base-Backbone interact. energy: -1.390
local terms energy: -374.158662
where:
bonds (distance) C4'-P energy: -73.708
bonds (distance) P-C4' energy: -82.444
flat angles C4'-P-C4' energy: -80.455
flat angles P-C4'-P energy: -48.675
tors. eta vs tors. theta energy: -88.876
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.478 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 475
Temperature: 1.150000
Total energy: -1038.667291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1038.667291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1038.667291 (E_RNA)
where:
Base-Base interactions energy: -704.233
where: short stacking energy: -312.549
Base-Backbone interact. energy: -0.170
local terms energy: -334.264779
where:
bonds (distance) C4'-P energy: -54.602
bonds (distance) P-C4' energy: -71.616
flat angles C4'-P-C4' energy: -82.633
flat angles P-C4'-P energy: -46.815
tors. eta vs tors. theta energy: -78.599
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: 7, replica: 2
=====================================
Write number: 475
Temperature: 1.200000
Total energy: -880.759442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -880.759442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -880.759442 (E_RNA)
where:
Base-Base interactions energy: -576.818
where: short stacking energy: -252.118
Base-Backbone interact. energy: 2.176
local terms energy: -306.117277
where:
bonds (distance) C4'-P energy: -73.480
bonds (distance) P-C4' energy: -64.895
flat angles C4'-P-C4' energy: -57.802
flat angles P-C4'-P energy: -49.026
tors. eta vs tors. theta energy: -60.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 475
Temperature: 1.250000
Total energy: -786.193897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -786.193897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -786.193897 (E_RNA)
where:
Base-Base interactions energy: -519.625
where: short stacking energy: -238.671
Base-Backbone interact. energy: 0.161
local terms energy: -266.730635
where:
bonds (distance) C4'-P energy: -68.827
bonds (distance) P-C4' energy: -62.474
flat angles C4'-P-C4' energy: -64.939
flat angles P-C4'-P energy: -20.721
tors. eta vs tors. theta energy: -49.769
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: 8
=====================================
Write number: 475
Temperature: 1.300000
Total energy: -684.624708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -684.624708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -684.624708 (E_RNA)
where:
Base-Base interactions energy: -416.795
where: short stacking energy: -204.056
Base-Backbone interact. energy: -0.956
local terms energy: -266.874248
where:
bonds (distance) C4'-P energy: -61.852
bonds (distance) P-C4' energy: -58.679
flat angles C4'-P-C4' energy: -68.381
flat angles P-C4'-P energy: -40.416
tors. eta vs tors. theta energy: -37.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 475
Temperature: 1.350000
Total energy: -525.762389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.762389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.762389 (E_RNA)
where:
Base-Base interactions energy: -285.437
where: short stacking energy: -157.225
Base-Backbone interact. energy: 1.807
local terms energy: -242.234332
where:
bonds (distance) C4'-P energy: -59.894
bonds (distance) P-C4' energy: -79.636
flat angles C4'-P-C4' energy: -53.260
flat angles P-C4'-P energy: -28.082
tors. eta vs tors. theta energy: -21.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.102 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 476
Temperature: 0.900000
Total energy: -1428.294038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1428.294038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1428.294038 (E_RNA)
where:
Base-Base interactions energy: -1002.557
where: short stacking energy: -403.030
Base-Backbone interact. energy: -0.940
local terms energy: -424.797938
where:
bonds (distance) C4'-P energy: -82.548
bonds (distance) P-C4' energy: -80.731
flat angles C4'-P-C4' energy: -94.737
flat angles P-C4'-P energy: -53.691
tors. eta vs tors. theta energy: -113.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 476
Temperature: 0.950000
Total energy: -1380.443149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1380.443149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1380.443149 (E_RNA)
where:
Base-Base interactions energy: -993.220
where: short stacking energy: -408.308
Base-Backbone interact. energy: 3.728
local terms energy: -390.950944
where:
bonds (distance) C4'-P energy: -70.952
bonds (distance) P-C4' energy: -64.766
flat angles C4'-P-C4' energy: -82.715
flat angles P-C4'-P energy: -58.197
tors. eta vs tors. theta energy: -114.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 476
Temperature: 1.000000
Total energy: -1311.718639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1311.718639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1311.718639 (E_RNA)
where:
Base-Base interactions energy: -919.515
where: short stacking energy: -351.685
Base-Backbone interact. energy: -4.550
local terms energy: -387.653667
where:
bonds (distance) C4'-P energy: -70.347
bonds (distance) P-C4' energy: -78.037
flat angles C4'-P-C4' energy: -81.509
flat angles P-C4'-P energy: -57.932
tors. eta vs tors. theta energy: -99.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 476
Temperature: 1.050000
Total energy: -1216.898151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1216.898151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1216.898151 (E_RNA)
where:
Base-Base interactions energy: -845.961
where: short stacking energy: -342.676
Base-Backbone interact. energy: -1.119
local terms energy: -369.818146
where:
bonds (distance) C4'-P energy: -72.017
bonds (distance) P-C4' energy: -77.608
flat angles C4'-P-C4' energy: -77.453
flat angles P-C4'-P energy: -50.017
tors. eta vs tors. theta energy: -92.723
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: 1
=====================================
Write number: 476
Temperature: 1.100000
Total energy: -1121.468151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1121.468151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1121.468151 (E_RNA)
where:
Base-Base interactions energy: -755.311
where: short stacking energy: -340.840
Base-Backbone interact. energy: 2.429
local terms energy: -368.585669
where:
bonds (distance) C4'-P energy: -76.141
bonds (distance) P-C4' energy: -70.997
flat angles C4'-P-C4' energy: -76.959
flat angles P-C4'-P energy: -51.217
tors. eta vs tors. theta energy: -93.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 476
Temperature: 1.150000
Total energy: -991.680362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -991.680362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -991.680362 (E_RNA)
where:
Base-Base interactions energy: -643.650
where: short stacking energy: -296.999
Base-Backbone interact. energy: -0.530
local terms energy: -347.500756
where:
bonds (distance) C4'-P energy: -76.602
bonds (distance) P-C4' energy: -67.094
flat angles C4'-P-C4' energy: -80.481
flat angles P-C4'-P energy: -55.405
tors. eta vs tors. theta energy: -67.918
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: 2
=====================================
Write number: 476
Temperature: 1.200000
Total energy: -892.280519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -892.280519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -892.280519 (E_RNA)
where:
Base-Base interactions energy: -561.223
where: short stacking energy: -247.625
Base-Backbone interact. energy: -0.734
local terms energy: -330.322993
where:
bonds (distance) C4'-P energy: -65.831
bonds (distance) P-C4' energy: -72.419
flat angles C4'-P-C4' energy: -75.207
flat angles P-C4'-P energy: -54.540
tors. eta vs tors. theta energy: -62.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 476
Temperature: 1.250000
Total energy: -761.945233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -761.945233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -761.945233 (E_RNA)
where:
Base-Base interactions energy: -471.455
where: short stacking energy: -204.453
Base-Backbone interact. energy: -2.183
local terms energy: -288.306897
where:
bonds (distance) C4'-P energy: -64.854
bonds (distance) P-C4' energy: -68.210
flat angles C4'-P-C4' energy: -69.959
flat angles P-C4'-P energy: -45.994
tors. eta vs tors. theta energy: -39.290
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: 8
=====================================
Write number: 476
Temperature: 1.300000
Total energy: -649.212272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -649.212272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -649.212272 (E_RNA)
where:
Base-Base interactions energy: -388.194
where: short stacking energy: -173.402
Base-Backbone interact. energy: -1.947
local terms energy: -259.071149
where:
bonds (distance) C4'-P energy: -69.452
bonds (distance) P-C4' energy: -57.370
flat angles C4'-P-C4' energy: -67.100
flat angles P-C4'-P energy: -37.647
tors. eta vs tors. theta energy: -27.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 476
Temperature: 1.350000
Total energy: -527.686676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.686676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.686676 (E_RNA)
where:
Base-Base interactions energy: -300.936
where: short stacking energy: -148.792
Base-Backbone interact. energy: 2.548
local terms energy: -231.192033
where:
bonds (distance) C4'-P energy: -71.544
bonds (distance) P-C4' energy: -58.864
flat angles C4'-P-C4' energy: -59.240
flat angles P-C4'-P energy: -31.050
tors. eta vs tors. theta energy: -10.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.894 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 477
Temperature: 0.900000
Total energy: -1413.637834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1413.637834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1413.637834 (E_RNA)
where:
Base-Base interactions energy: -985.170
where: short stacking energy: -414.624
Base-Backbone interact. energy: -0.980
local terms energy: -427.487718
where:
bonds (distance) C4'-P energy: -87.135
bonds (distance) P-C4' energy: -78.973
flat angles C4'-P-C4' energy: -78.426
flat angles P-C4'-P energy: -66.827
tors. eta vs tors. theta energy: -116.127
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: 5
=====================================
Write number: 477
Temperature: 0.950000
Total energy: -1363.750261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1363.750261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1363.750261 (E_RNA)
where:
Base-Base interactions energy: -967.766
where: short stacking energy: -364.980
Base-Backbone interact. energy: -2.176
local terms energy: -393.808569
where:
bonds (distance) C4'-P energy: -71.474
bonds (distance) P-C4' energy: -69.984
flat angles C4'-P-C4' energy: -87.427
flat angles P-C4'-P energy: -56.812
tors. eta vs tors. theta energy: -108.111
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: 4
=====================================
Write number: 477
Temperature: 1.000000
Total energy: -1308.830854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1308.830854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1308.830854 (E_RNA)
where:
Base-Base interactions energy: -916.749
where: short stacking energy: -368.604
Base-Backbone interact. energy: 4.596
local terms energy: -396.677518
where:
bonds (distance) C4'-P energy: -73.656
bonds (distance) P-C4' energy: -77.223
flat angles C4'-P-C4' energy: -80.711
flat angles P-C4'-P energy: -63.544
tors. eta vs tors. theta energy: -101.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 477
Temperature: 1.050000
Total energy: -1214.844719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1214.844719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1214.844719 (E_RNA)
where:
Base-Base interactions energy: -834.470
where: short stacking energy: -350.700
Base-Backbone interact. energy: -1.807
local terms energy: -378.568025
where:
bonds (distance) C4'-P energy: -74.784
bonds (distance) P-C4' energy: -78.534
flat angles C4'-P-C4' energy: -78.156
flat angles P-C4'-P energy: -49.767
tors. eta vs tors. theta energy: -97.328
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: 1
=====================================
Write number: 477
Temperature: 1.100000
Total energy: -1083.710984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1083.710984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1083.710984 (E_RNA)
where:
Base-Base interactions energy: -738.954
where: short stacking energy: -311.702
Base-Backbone interact. energy: -1.190
local terms energy: -343.566809
where:
bonds (distance) C4'-P energy: -65.287
bonds (distance) P-C4' energy: -62.578
flat angles C4'-P-C4' energy: -71.472
flat angles P-C4'-P energy: -57.972
tors. eta vs tors. theta energy: -86.258
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: 6, replica: 3
=====================================
Write number: 477
Temperature: 1.150000
Total energy: -1060.448312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1060.448312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1060.448312 (E_RNA)
where:
Base-Base interactions energy: -712.694
where: short stacking energy: -305.199
Base-Backbone interact. energy: -0.988
local terms energy: -346.766514
where:
bonds (distance) C4'-P energy: -67.503
bonds (distance) P-C4' energy: -64.076
flat angles C4'-P-C4' energy: -78.749
flat angles P-C4'-P energy: -55.601
tors. eta vs tors. theta energy: -80.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 477
Temperature: 1.200000
Total energy: -901.468701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -901.468701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -901.468701 (E_RNA)
where:
Base-Base interactions energy: -571.864
where: short stacking energy: -253.561
Base-Backbone interact. energy: -1.113
local terms energy: -328.491741
where:
bonds (distance) C4'-P energy: -78.117
bonds (distance) P-C4' energy: -79.918
flat angles C4'-P-C4' energy: -71.944
flat angles P-C4'-P energy: -39.971
tors. eta vs tors. theta energy: -58.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 477
Temperature: 1.250000
Total energy: -734.397465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -734.397465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -734.397465 (E_RNA)
where:
Base-Base interactions energy: -446.322
where: short stacking energy: -196.741
Base-Backbone interact. energy: 0.011
local terms energy: -288.086300
where:
bonds (distance) C4'-P energy: -66.679
bonds (distance) P-C4' energy: -72.533
flat angles C4'-P-C4' energy: -61.664
flat angles P-C4'-P energy: -43.940
tors. eta vs tors. theta energy: -43.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 477
Temperature: 1.300000
Total energy: -715.734946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -715.734946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -715.734946 (E_RNA)
where:
Base-Base interactions energy: -456.768
where: short stacking energy: -207.235
Base-Backbone interact. energy: -1.991
local terms energy: -256.975646
where:
bonds (distance) C4'-P energy: -56.767
bonds (distance) P-C4' energy: -54.520
flat angles C4'-P-C4' energy: -69.713
flat angles P-C4'-P energy: -45.454
tors. eta vs tors. theta energy: -30.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 477
Temperature: 1.350000
Total energy: -526.125733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.125733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.125733 (E_RNA)
where:
Base-Base interactions energy: -314.386
where: short stacking energy: -157.675
Base-Backbone interact. energy: 0.054
local terms energy: -211.793366
where:
bonds (distance) C4'-P energy: -52.105
bonds (distance) P-C4' energy: -66.490
flat angles C4'-P-C4' energy: -47.064
flat angles P-C4'-P energy: -27.926
tors. eta vs tors. theta energy: -18.207
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: 7
=====================================
Write number: 478
Temperature: 0.900000
Total energy: -1422.549438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1422.549438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1422.549438 (E_RNA)
where:
Base-Base interactions energy: -995.356
where: short stacking energy: -396.864
Base-Backbone interact. energy: -1.186
local terms energy: -426.008132
where:
bonds (distance) C4'-P energy: -78.321
bonds (distance) P-C4' energy: -82.762
flat angles C4'-P-C4' energy: -89.565
flat angles P-C4'-P energy: -61.633
tors. eta vs tors. theta energy: -113.727
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: 5
=====================================
Write number: 478
Temperature: 0.950000
Total energy: -1358.610201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1358.610201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1358.610201 (E_RNA)
where:
Base-Base interactions energy: -954.964
where: short stacking energy: -392.871
Base-Backbone interact. energy: -3.010
local terms energy: -400.636328
where:
bonds (distance) C4'-P energy: -75.465
bonds (distance) P-C4' energy: -75.897
flat angles C4'-P-C4' energy: -75.948
flat angles P-C4'-P energy: -66.266
tors. eta vs tors. theta energy: -107.060
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: 4
=====================================
Write number: 478
Temperature: 1.000000
Total energy: -1322.102300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1322.102300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1322.102300 (E_RNA)
where:
Base-Base interactions energy: -906.498
where: short stacking energy: -356.006
Base-Backbone interact. energy: -4.383
local terms energy: -411.221059
where:
bonds (distance) C4'-P energy: -80.840
bonds (distance) P-C4' energy: -84.557
flat angles C4'-P-C4' energy: -90.578
flat angles P-C4'-P energy: -52.100
tors. eta vs tors. theta energy: -103.146
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: 9
=====================================
Write number: 478
Temperature: 1.050000
Total energy: -1248.109119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1248.109119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1248.109119 (E_RNA)
where:
Base-Base interactions energy: -860.107
where: short stacking energy: -361.913
Base-Backbone interact. energy: 3.523
local terms energy: -391.525756
where:
bonds (distance) C4'-P energy: -75.026
bonds (distance) P-C4' energy: -68.312
flat angles C4'-P-C4' energy: -83.710
flat angles P-C4'-P energy: -63.387
tors. eta vs tors. theta energy: -101.091
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: 1
=====================================
Write number: 478
Temperature: 1.100000
Total energy: -1094.474356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1094.474356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1094.474356 (E_RNA)
where:
Base-Base interactions energy: -736.795
where: short stacking energy: -328.218
Base-Backbone interact. energy: 0.445
local terms energy: -358.124505
where:
bonds (distance) C4'-P energy: -69.906
bonds (distance) P-C4' energy: -62.710
flat angles C4'-P-C4' energy: -79.385
flat angles P-C4'-P energy: -57.145
tors. eta vs tors. theta energy: -88.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 478
Temperature: 1.150000
Total energy: -1061.077450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1061.077450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1061.077450 (E_RNA)
where:
Base-Base interactions energy: -699.560
where: short stacking energy: -296.742
Base-Backbone interact. energy: -0.774
local terms energy: -360.743664
where:
bonds (distance) C4'-P energy: -73.629
bonds (distance) P-C4' energy: -80.756
flat angles C4'-P-C4' energy: -82.847
flat angles P-C4'-P energy: -37.811
tors. eta vs tors. theta energy: -85.700
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: 478
Temperature: 1.200000
Total energy: -902.242717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -902.242717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -902.242717 (E_RNA)
where:
Base-Base interactions energy: -578.446
where: short stacking energy: -264.526
Base-Backbone interact. energy: -1.897
local terms energy: -321.899580
where:
bonds (distance) C4'-P energy: -75.270
bonds (distance) P-C4' energy: -63.555
flat angles C4'-P-C4' energy: -84.288
flat angles P-C4'-P energy: -36.141
tors. eta vs tors. theta energy: -62.645
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: 10
=====================================
Write number: 478
Temperature: 1.250000
Total energy: -736.663466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -736.663466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -736.663466 (E_RNA)
where:
Base-Base interactions energy: -458.090
where: short stacking energy: -217.691
Base-Backbone interact. energy: 3.130
local terms energy: -281.704081
where:
bonds (distance) C4'-P energy: -64.144
bonds (distance) P-C4' energy: -69.835
flat angles C4'-P-C4' energy: -70.603
flat angles P-C4'-P energy: -39.295
tors. eta vs tors. theta energy: -37.827
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: 8
=====================================
Write number: 478
Temperature: 1.300000
Total energy: -714.887779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -714.887779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -714.887779 (E_RNA)
where:
Base-Base interactions energy: -446.375
where: short stacking energy: -195.539
Base-Backbone interact. energy: 0.575
local terms energy: -269.087468
where:
bonds (distance) C4'-P energy: -64.452
bonds (distance) P-C4' energy: -71.538
flat angles C4'-P-C4' energy: -53.352
flat angles P-C4'-P energy: -36.571
tors. eta vs tors. theta energy: -43.175
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: 6
=====================================
Write number: 478
Temperature: 1.350000
Total energy: -546.985064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.985064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.985064 (E_RNA)
where:
Base-Base interactions energy: -319.476
where: short stacking energy: -155.372
Base-Backbone interact. energy: 1.889
local terms energy: -229.397919
where:
bonds (distance) C4'-P energy: -67.472
bonds (distance) P-C4' energy: -54.374
flat angles C4'-P-C4' energy: -53.245
flat angles P-C4'-P energy: -37.921
tors. eta vs tors. theta energy: -16.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 479
Temperature: 0.900000
Total energy: -1416.372293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1416.372293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1416.372293 (E_RNA)
where:
Base-Base interactions energy: -997.290
where: short stacking energy: -396.576
Base-Backbone interact. energy: -2.765
local terms energy: -416.316851
where:
bonds (distance) C4'-P energy: -78.035
bonds (distance) P-C4' energy: -84.228
flat angles C4'-P-C4' energy: -87.792
flat angles P-C4'-P energy: -52.859
tors. eta vs tors. theta energy: -113.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 479
Temperature: 0.950000
Total energy: -1339.737830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1339.737830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1339.737830 (E_RNA)
where:
Base-Base interactions energy: -926.764
where: short stacking energy: -354.593
Base-Backbone interact. energy: -1.780
local terms energy: -411.194168
where:
bonds (distance) C4'-P energy: -75.096
bonds (distance) P-C4' energy: -91.208
flat angles C4'-P-C4' energy: -85.378
flat angles P-C4'-P energy: -58.883
tors. eta vs tors. theta energy: -100.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 479
Temperature: 1.000000
Total energy: -1302.874403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1302.874403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1302.874403 (E_RNA)
where:
Base-Base interactions energy: -912.560
where: short stacking energy: -366.289
Base-Backbone interact. energy: -4.189
local terms energy: -386.126135
where:
bonds (distance) C4'-P energy: -68.392
bonds (distance) P-C4' energy: -71.056
flat angles C4'-P-C4' energy: -82.964
flat angles P-C4'-P energy: -59.590
tors. eta vs tors. theta energy: -104.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 479
Temperature: 1.050000
Total energy: -1253.208235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1253.208235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1253.208235 (E_RNA)
where:
Base-Base interactions energy: -878.834
where: short stacking energy: -354.901
Base-Backbone interact. energy: -1.353
local terms energy: -373.021105
where:
bonds (distance) C4'-P energy: -73.231
bonds (distance) P-C4' energy: -74.556
flat angles C4'-P-C4' energy: -82.632
flat angles P-C4'-P energy: -53.798
tors. eta vs tors. theta energy: -88.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 479
Temperature: 1.100000
Total energy: -1123.064375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1123.064375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1123.064375 (E_RNA)
where:
Base-Base interactions energy: -746.366
where: short stacking energy: -345.646
Base-Backbone interact. energy: -1.468
local terms energy: -375.230376
where:
bonds (distance) C4'-P energy: -64.983
bonds (distance) P-C4' energy: -70.681
flat angles C4'-P-C4' energy: -85.409
flat angles P-C4'-P energy: -52.148
tors. eta vs tors. theta energy: -102.009
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: 3
=====================================
Write number: 479
Temperature: 1.150000
Total energy: -1036.325948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1036.325948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1036.325948 (E_RNA)
where:
Base-Base interactions energy: -681.556
where: short stacking energy: -320.666
Base-Backbone interact. energy: 2.649
local terms energy: -357.418830
where:
bonds (distance) C4'-P energy: -76.313
bonds (distance) P-C4' energy: -70.409
flat angles C4'-P-C4' energy: -75.350
flat angles P-C4'-P energy: -48.588
tors. eta vs tors. theta energy: -86.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 479
Temperature: 1.200000
Total energy: -888.539614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -888.539614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -888.539614 (E_RNA)
where:
Base-Base interactions energy: -593.291
where: short stacking energy: -261.985
Base-Backbone interact. energy: -0.605
local terms energy: -294.643242
where:
bonds (distance) C4'-P energy: -66.348
bonds (distance) P-C4' energy: -61.874
flat angles C4'-P-C4' energy: -70.376
flat angles P-C4'-P energy: -44.535
tors. eta vs tors. theta energy: -51.510
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: 8, replica: 8
=====================================
Write number: 479
Temperature: 1.250000
Total energy: -781.084927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -781.084927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -781.084927 (E_RNA)
where:
Base-Base interactions energy: -483.753
where: short stacking energy: -197.051
Base-Backbone interact. energy: -4.470
local terms energy: -292.861640
where:
bonds (distance) C4'-P energy: -66.153
bonds (distance) P-C4' energy: -69.693
flat angles C4'-P-C4' energy: -66.513
flat angles P-C4'-P energy: -44.762
tors. eta vs tors. theta energy: -45.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 479
Temperature: 1.300000
Total energy: -771.366987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -771.366987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -771.366987 (E_RNA)
where:
Base-Base interactions energy: -471.890
where: short stacking energy: -209.762
Base-Backbone interact. energy: 1.575
local terms energy: -301.051976
where:
bonds (distance) C4'-P energy: -68.574
bonds (distance) P-C4' energy: -74.724
flat angles C4'-P-C4' energy: -72.973
flat angles P-C4'-P energy: -35.219
tors. eta vs tors. theta energy: -49.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 479
Temperature: 1.350000
Total energy: -530.730085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.730085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.730085 (E_RNA)
where:
Base-Base interactions energy: -303.352
where: short stacking energy: -146.351
Base-Backbone interact. energy: -0.069
local terms energy: -227.308394
where:
bonds (distance) C4'-P energy: -61.992
bonds (distance) P-C4' energy: -67.731
flat angles C4'-P-C4' energy: -54.163
flat angles P-C4'-P energy: -34.752
tors. eta vs tors. theta energy: -8.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 480
Temperature: 0.900000
Total energy: -1407.596257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1407.596257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1407.596257 (E_RNA)
where:
Base-Base interactions energy: -994.720
where: short stacking energy: -401.968
Base-Backbone interact. energy: -2.660
local terms energy: -410.216287
where:
bonds (distance) C4'-P energy: -78.138
bonds (distance) P-C4' energy: -79.540
flat angles C4'-P-C4' energy: -82.223
flat angles P-C4'-P energy: -55.434
tors. eta vs tors. theta energy: -114.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 480
Temperature: 0.950000
Total energy: -1339.198288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1339.198288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1339.198288 (E_RNA)
where:
Base-Base interactions energy: -938.674
where: short stacking energy: -377.036
Base-Backbone interact. energy: -0.348
local terms energy: -400.176309
where:
bonds (distance) C4'-P energy: -73.903
bonds (distance) P-C4' energy: -71.669
flat angles C4'-P-C4' energy: -92.533
flat angles P-C4'-P energy: -60.970
tors. eta vs tors. theta energy: -101.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 480
Temperature: 1.000000
Total energy: -1315.709457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1315.709457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1315.709457 (E_RNA)
where:
Base-Base interactions energy: -925.276
where: short stacking energy: -371.084
Base-Backbone interact. energy: -4.774
local terms energy: -385.659626
where:
bonds (distance) C4'-P energy: -65.297
bonds (distance) P-C4' energy: -82.073
flat angles C4'-P-C4' energy: -77.362
flat angles P-C4'-P energy: -60.320
tors. eta vs tors. theta energy: -100.608
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: 9
=====================================
Write number: 480
Temperature: 1.050000
Total energy: -1256.133617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1256.133617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1256.133617 (E_RNA)
where:
Base-Base interactions energy: -875.903
where: short stacking energy: -353.998
Base-Backbone interact. energy: 3.755
local terms energy: -383.985985
where:
bonds (distance) C4'-P energy: -66.038
bonds (distance) P-C4' energy: -77.804
flat angles C4'-P-C4' energy: -88.549
flat angles P-C4'-P energy: -59.452
tors. eta vs tors. theta energy: -92.143
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: 5, replica: 1
=====================================
Write number: 480
Temperature: 1.100000
Total energy: -1100.888975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1100.888975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1100.888975 (E_RNA)
where:
Base-Base interactions energy: -727.339
where: short stacking energy: -328.738
Base-Backbone interact. energy: -0.341
local terms energy: -373.209197
where:
bonds (distance) C4'-P energy: -77.734
bonds (distance) P-C4' energy: -73.005
flat angles C4'-P-C4' energy: -75.567
flat angles P-C4'-P energy: -52.748
tors. eta vs tors. theta energy: -94.156
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: 3
=====================================
Write number: 480
Temperature: 1.150000
Total energy: -1004.998170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1004.998170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1004.998170 (E_RNA)
where:
Base-Base interactions energy: -668.264
where: short stacking energy: -297.601
Base-Backbone interact. energy: -0.937
local terms energy: -335.797353
where:
bonds (distance) C4'-P energy: -63.926
bonds (distance) P-C4' energy: -74.953
flat angles C4'-P-C4' energy: -71.369
flat angles P-C4'-P energy: -50.335
tors. eta vs tors. theta energy: -75.214
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: 7, replica: 2
=====================================
Write number: 480
Temperature: 1.200000
Total energy: -922.963424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -922.963424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -922.963424 (E_RNA)
where:
Base-Base interactions energy: -607.558
where: short stacking energy: -282.336
Base-Backbone interact. energy: -2.126
local terms energy: -313.280053
where:
bonds (distance) C4'-P energy: -71.546
bonds (distance) P-C4' energy: -67.558
flat angles C4'-P-C4' energy: -66.944
flat angles P-C4'-P energy: -45.651
tors. eta vs tors. theta energy: -61.581
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: 8
=====================================
Write number: 480
Temperature: 1.250000
Total energy: -777.327503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -777.327503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -777.327503 (E_RNA)
where:
Base-Base interactions energy: -471.500
where: short stacking energy: -236.270
Base-Backbone interact. energy: -0.442
local terms energy: -307.192418
where:
bonds (distance) C4'-P energy: -67.843
bonds (distance) P-C4' energy: -73.783
flat angles C4'-P-C4' energy: -70.104
flat angles P-C4'-P energy: -42.683
tors. eta vs tors. theta energy: -52.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.807 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 480
Temperature: 1.300000
Total energy: -655.436742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -655.436742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -655.436742 (E_RNA)
where:
Base-Base interactions energy: -405.799
where: short stacking energy: -204.201
Base-Backbone interact. energy: -1.987
local terms energy: -247.650447
where:
bonds (distance) C4'-P energy: -56.208
bonds (distance) P-C4' energy: -74.159
flat angles C4'-P-C4' energy: -61.166
flat angles P-C4'-P energy: -34.550
tors. eta vs tors. theta energy: -21.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 480
Temperature: 1.350000
Total energy: -518.583895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.583895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.583895 (E_RNA)
where:
Base-Base interactions energy: -265.625
where: short stacking energy: -156.190
Base-Backbone interact. energy: 0.980
local terms energy: -253.937985
where:
bonds (distance) C4'-P energy: -63.843
bonds (distance) P-C4' energy: -74.114
flat angles C4'-P-C4' energy: -61.140
flat angles P-C4'-P energy: -36.624
tors. eta vs tors. theta energy: -18.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 481
Temperature: 0.900000
Total energy: -1393.340118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1393.340118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1393.340118 (E_RNA)
where:
Base-Base interactions energy: -981.799
where: short stacking energy: -415.177
Base-Backbone interact. energy: -1.370
local terms energy: -410.170958
where:
bonds (distance) C4'-P energy: -75.356
bonds (distance) P-C4' energy: -85.691
flat angles C4'-P-C4' energy: -82.240
flat angles P-C4'-P energy: -51.844
tors. eta vs tors. theta energy: -115.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 481
Temperature: 0.950000
Total energy: -1336.199343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1336.199343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1336.199343 (E_RNA)
where:
Base-Base interactions energy: -912.571
where: short stacking energy: -367.645
Base-Backbone interact. energy: -2.609
local terms energy: -421.019591
where:
bonds (distance) C4'-P energy: -80.985
bonds (distance) P-C4' energy: -81.527
flat angles C4'-P-C4' energy: -96.035
flat angles P-C4'-P energy: -61.421
tors. eta vs tors. theta energy: -101.052
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: 481
Temperature: 1.000000
Total energy: -1299.878264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1299.878264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1299.878264 (E_RNA)
where:
Base-Base interactions energy: -893.389
where: short stacking energy: -367.649
Base-Backbone interact. energy: -3.047
local terms energy: -403.441712
where:
bonds (distance) C4'-P energy: -67.928
bonds (distance) P-C4' energy: -76.988
flat angles C4'-P-C4' energy: -86.987
flat angles P-C4'-P energy: -66.380
tors. eta vs tors. theta energy: -105.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 481
Temperature: 1.050000
Total energy: -1247.749058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1247.749058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1247.749058 (E_RNA)
where:
Base-Base interactions energy: -874.907
where: short stacking energy: -361.634
Base-Backbone interact. energy: -0.774
local terms energy: -372.430994
where:
bonds (distance) C4'-P energy: -71.852
bonds (distance) P-C4' energy: -71.112
flat angles C4'-P-C4' energy: -82.651
flat angles P-C4'-P energy: -47.312
tors. eta vs tors. theta energy: -99.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.363 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 481
Temperature: 1.100000
Total energy: -1124.546583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1124.546583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1124.546583 (E_RNA)
where:
Base-Base interactions energy: -783.935
where: short stacking energy: -357.217
Base-Backbone interact. energy: -0.527
local terms energy: -340.084489
where:
bonds (distance) C4'-P energy: -59.114
bonds (distance) P-C4' energy: -61.788
flat angles C4'-P-C4' energy: -78.720
flat angles P-C4'-P energy: -48.091
tors. eta vs tors. theta energy: -92.372
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: 6, replica: 3
=====================================
Write number: 481
Temperature: 1.150000
Total energy: -991.545262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -991.545262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -991.545262 (E_RNA)
where:
Base-Base interactions energy: -664.100
where: short stacking energy: -271.504
Base-Backbone interact. energy: 0.393
local terms energy: -327.838710
where:
bonds (distance) C4'-P energy: -64.241
bonds (distance) P-C4' energy: -76.867
flat angles C4'-P-C4' energy: -70.151
flat angles P-C4'-P energy: -50.551
tors. eta vs tors. theta energy: -66.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 481
Temperature: 1.200000
Total energy: -881.400958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -881.400958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -881.400958 (E_RNA)
where:
Base-Base interactions energy: -563.847
where: short stacking energy: -262.333
Base-Backbone interact. energy: 3.398
local terms energy: -320.951740
where:
bonds (distance) C4'-P energy: -64.053
bonds (distance) P-C4' energy: -77.101
flat angles C4'-P-C4' energy: -67.521
flat angles P-C4'-P energy: -58.218
tors. eta vs tors. theta energy: -54.058
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: 8
=====================================
Write number: 481
Temperature: 1.250000
Total energy: -770.996116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -770.996116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -770.996116 (E_RNA)
where:
Base-Base interactions energy: -497.915
where: short stacking energy: -218.715
Base-Backbone interact. energy: -0.323
local terms energy: -272.758748
where:
bonds (distance) C4'-P energy: -50.093
bonds (distance) P-C4' energy: -61.441
flat angles C4'-P-C4' energy: -67.514
flat angles P-C4'-P energy: -42.370
tors. eta vs tors. theta energy: -51.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 481
Temperature: 1.300000
Total energy: -642.474501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -642.474501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -642.474501 (E_RNA)
where:
Base-Base interactions energy: -381.124
where: short stacking energy: -179.379
Base-Backbone interact. energy: -0.289
local terms energy: -261.061124
where:
bonds (distance) C4'-P energy: -71.438
bonds (distance) P-C4' energy: -62.691
flat angles C4'-P-C4' energy: -66.655
flat angles P-C4'-P energy: -41.433
tors. eta vs tors. theta energy: -18.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 481
Temperature: 1.350000
Total energy: -510.350845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.350845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.350845 (E_RNA)
where:
Base-Base interactions energy: -287.733
where: short stacking energy: -135.965
Base-Backbone interact. energy: -2.497
local terms energy: -220.120836
where:
bonds (distance) C4'-P energy: -51.216
bonds (distance) P-C4' energy: -68.432
flat angles C4'-P-C4' energy: -57.322
flat angles P-C4'-P energy: -26.614
tors. eta vs tors. theta energy: -16.537
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: 1, replica: 7
=====================================
Write number: 482
Temperature: 0.900000
Total energy: -1402.343300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1402.343300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1402.343300 (E_RNA)
where:
Base-Base interactions energy: -978.011
where: short stacking energy: -406.431
Base-Backbone interact. energy: -2.050
local terms energy: -422.282521
where:
bonds (distance) C4'-P energy: -80.761
bonds (distance) P-C4' energy: -78.167
flat angles C4'-P-C4' energy: -84.931
flat angles P-C4'-P energy: -56.822
tors. eta vs tors. theta energy: -121.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 482
Temperature: 0.950000
Total energy: -1339.332966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1339.332966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1339.332966 (E_RNA)
where:
Base-Base interactions energy: -936.111
where: short stacking energy: -382.683
Base-Backbone interact. energy: -1.025
local terms energy: -402.197015
where:
bonds (distance) C4'-P energy: -75.271
bonds (distance) P-C4' energy: -71.142
flat angles C4'-P-C4' energy: -90.184
flat angles P-C4'-P energy: -52.178
tors. eta vs tors. theta energy: -113.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 482
Temperature: 1.000000
Total energy: -1299.339818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1299.339818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1299.339818 (E_RNA)
where:
Base-Base interactions energy: -910.324
where: short stacking energy: -381.892
Base-Backbone interact. energy: -1.536
local terms energy: -387.479833
where:
bonds (distance) C4'-P energy: -63.649
bonds (distance) P-C4' energy: -73.299
flat angles C4'-P-C4' energy: -80.999
flat angles P-C4'-P energy: -58.041
tors. eta vs tors. theta energy: -111.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 482
Temperature: 1.050000
Total energy: -1272.162916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1272.162916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1272.162916 (E_RNA)
where:
Base-Base interactions energy: -913.907
where: short stacking energy: -390.070
Base-Backbone interact. energy: -0.982
local terms energy: -357.274137
where:
bonds (distance) C4'-P energy: -76.998
bonds (distance) P-C4' energy: -62.633
flat angles C4'-P-C4' energy: -65.454
flat angles P-C4'-P energy: -46.214
tors. eta vs tors. theta energy: -105.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 482
Temperature: 1.100000
Total energy: -1049.721945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1049.721945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1049.721945 (E_RNA)
where:
Base-Base interactions energy: -712.630
where: short stacking energy: -312.505
Base-Backbone interact. energy: -0.551
local terms energy: -336.541565
where:
bonds (distance) C4'-P energy: -71.017
bonds (distance) P-C4' energy: -69.343
flat angles C4'-P-C4' energy: -79.226
flat angles P-C4'-P energy: -39.887
tors. eta vs tors. theta energy: -77.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 482
Temperature: 1.150000
Total energy: -1074.585828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1074.585828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1074.585828 (E_RNA)
where:
Base-Base interactions energy: -722.962
where: short stacking energy: -320.929
Base-Backbone interact. energy: -1.239
local terms energy: -350.384110
where:
bonds (distance) C4'-P energy: -65.523
bonds (distance) P-C4' energy: -68.062
flat angles C4'-P-C4' energy: -81.513
flat angles P-C4'-P energy: -48.258
tors. eta vs tors. theta energy: -87.029
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: 2
=====================================
Write number: 482
Temperature: 1.200000
Total energy: -893.282135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -893.282135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -893.282135 (E_RNA)
where:
Base-Base interactions energy: -588.310
where: short stacking energy: -260.236
Base-Backbone interact. energy: -0.220
local terms energy: -304.751819
where:
bonds (distance) C4'-P energy: -55.610
bonds (distance) P-C4' energy: -72.778
flat angles C4'-P-C4' energy: -78.106
flat angles P-C4'-P energy: -51.359
tors. eta vs tors. theta energy: -46.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 482
Temperature: 1.250000
Total energy: -748.571997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -748.571997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -748.571997 (E_RNA)
where:
Base-Base interactions energy: -464.445
where: short stacking energy: -209.218
Base-Backbone interact. energy: 0.796
local terms energy: -284.923232
where:
bonds (distance) C4'-P energy: -59.246
bonds (distance) P-C4' energy: -72.362
flat angles C4'-P-C4' energy: -68.244
flat angles P-C4'-P energy: -50.375
tors. eta vs tors. theta energy: -34.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 482
Temperature: 1.300000
Total energy: -626.287325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -626.287325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -626.287325 (E_RNA)
where:
Base-Base interactions energy: -375.041
where: short stacking energy: -184.841
Base-Backbone interact. energy: 0.505
local terms energy: -251.751439
where:
bonds (distance) C4'-P energy: -61.756
bonds (distance) P-C4' energy: -57.439
flat angles C4'-P-C4' energy: -72.066
flat angles P-C4'-P energy: -33.172
tors. eta vs tors. theta energy: -27.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 482
Temperature: 1.350000
Total energy: -560.973603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.973603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.973603 (E_RNA)
where:
Base-Base interactions energy: -319.322
where: short stacking energy: -161.244
Base-Backbone interact. energy: 1.506
local terms energy: -243.156991
where:
bonds (distance) C4'-P energy: -68.591
bonds (distance) P-C4' energy: -78.860
flat angles C4'-P-C4' energy: -48.492
flat angles P-C4'-P energy: -26.663
tors. eta vs tors. theta energy: -20.551
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: 7
=====================================
Write number: 483
Temperature: 0.900000
Total energy: -1379.223398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1379.223398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1379.223398 (E_RNA)
where:
Base-Base interactions energy: -962.505
where: short stacking energy: -407.760
Base-Backbone interact. energy: -0.930
local terms energy: -415.788272
where:
bonds (distance) C4'-P energy: -73.673
bonds (distance) P-C4' energy: -82.531
flat angles C4'-P-C4' energy: -84.388
flat angles P-C4'-P energy: -54.210
tors. eta vs tors. theta energy: -120.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 483
Temperature: 0.950000
Total energy: -1351.881440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1351.881440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1351.881440 (E_RNA)
where:
Base-Base interactions energy: -953.880
where: short stacking energy: -370.929
Base-Backbone interact. energy: -7.673
local terms energy: -390.328608
where:
bonds (distance) C4'-P energy: -72.048
bonds (distance) P-C4' energy: -84.878
flat angles C4'-P-C4' energy: -78.552
flat angles P-C4'-P energy: -50.186
tors. eta vs tors. theta energy: -104.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 483
Temperature: 1.000000
Total energy: -1294.164970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1294.164970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1294.164970 (E_RNA)
where:
Base-Base interactions energy: -892.139
where: short stacking energy: -372.315
Base-Backbone interact. energy: -2.362
local terms energy: -399.664475
where:
bonds (distance) C4'-P energy: -63.902
bonds (distance) P-C4' energy: -73.806
flat angles C4'-P-C4' energy: -84.394
flat angles P-C4'-P energy: -63.676
tors. eta vs tors. theta energy: -113.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 483
Temperature: 1.050000
Total energy: -1282.257112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1282.257112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1282.257112 (E_RNA)
where:
Base-Base interactions energy: -881.592
where: short stacking energy: -363.373
Base-Backbone interact. energy: -0.820
local terms energy: -399.844884
where:
bonds (distance) C4'-P energy: -78.543
bonds (distance) P-C4' energy: -70.614
flat angles C4'-P-C4' energy: -88.192
flat angles P-C4'-P energy: -59.629
tors. eta vs tors. theta energy: -102.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 483
Temperature: 1.100000
Total energy: -1095.396964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1095.396964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1095.396964 (E_RNA)
where:
Base-Base interactions energy: -738.554
where: short stacking energy: -316.723
Base-Backbone interact. energy: -0.402
local terms energy: -356.440639
where:
bonds (distance) C4'-P energy: -71.880
bonds (distance) P-C4' energy: -66.902
flat angles C4'-P-C4' energy: -80.248
flat angles P-C4'-P energy: -56.925
tors. eta vs tors. theta energy: -80.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 483
Temperature: 1.150000
Total energy: -1068.205546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1068.205546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1068.205546 (E_RNA)
where:
Base-Base interactions energy: -717.219
where: short stacking energy: -325.063
Base-Backbone interact. energy: -0.922
local terms energy: -350.064489
where:
bonds (distance) C4'-P energy: -75.920
bonds (distance) P-C4' energy: -59.615
flat angles C4'-P-C4' energy: -71.568
flat angles P-C4'-P energy: -50.628
tors. eta vs tors. theta energy: -92.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 483
Temperature: 1.200000
Total energy: -885.524334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -885.524334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -885.524334 (E_RNA)
where:
Base-Base interactions energy: -580.789
where: short stacking energy: -247.372
Base-Backbone interact. energy: -0.596
local terms energy: -304.139610
where:
bonds (distance) C4'-P energy: -53.882
bonds (distance) P-C4' energy: -71.591
flat angles C4'-P-C4' energy: -73.101
flat angles P-C4'-P energy: -50.741
tors. eta vs tors. theta energy: -54.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 483
Temperature: 1.250000
Total energy: -776.980285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -776.980285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -776.980285 (E_RNA)
where:
Base-Base interactions energy: -501.513
where: short stacking energy: -241.216
Base-Backbone interact. energy: 0.758
local terms energy: -276.225333
where:
bonds (distance) C4'-P energy: -48.820
bonds (distance) P-C4' energy: -58.153
flat angles C4'-P-C4' energy: -74.296
flat angles P-C4'-P energy: -40.128
tors. eta vs tors. theta energy: -54.828
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: 9, replica: 10
=====================================
Write number: 483
Temperature: 1.300000
Total energy: -608.908142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -608.908142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -608.908142 (E_RNA)
where:
Base-Base interactions energy: -365.455
where: short stacking energy: -190.168
Base-Backbone interact. energy: -2.602
local terms energy: -240.851506
where:
bonds (distance) C4'-P energy: -55.242
bonds (distance) P-C4' energy: -66.988
flat angles C4'-P-C4' energy: -56.968
flat angles P-C4'-P energy: -39.680
tors. eta vs tors. theta energy: -21.974
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: 6
=====================================
Write number: 483
Temperature: 1.350000
Total energy: -539.181584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.181584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.181584 (E_RNA)
where:
Base-Base interactions energy: -291.906
where: short stacking energy: -125.665
Base-Backbone interact. energy: -0.929
local terms energy: -246.346950
where:
bonds (distance) C4'-P energy: -74.027
bonds (distance) P-C4' energy: -63.478
flat angles C4'-P-C4' energy: -68.542
flat angles P-C4'-P energy: -42.983
tors. eta vs tors. theta energy: 2.683
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: 7
=====================================
Write number: 484
Temperature: 0.900000
Total energy: -1386.985022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1386.985022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1386.985022 (E_RNA)
where:
Base-Base interactions energy: -958.302
where: short stacking energy: -413.508
Base-Backbone interact. energy: -1.701
local terms energy: -426.982041
where:
bonds (distance) C4'-P energy: -77.702
bonds (distance) P-C4' energy: -82.283
flat angles C4'-P-C4' energy: -88.178
flat angles P-C4'-P energy: -56.013
tors. eta vs tors. theta energy: -122.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 484
Temperature: 0.950000
Total energy: -1362.565410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1362.565410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1362.565410 (E_RNA)
where:
Base-Base interactions energy: -955.718
where: short stacking energy: -367.348
Base-Backbone interact. energy: -2.538
local terms energy: -404.309090
where:
bonds (distance) C4'-P energy: -73.565
bonds (distance) P-C4' energy: -73.650
flat angles C4'-P-C4' energy: -86.367
flat angles P-C4'-P energy: -57.331
tors. eta vs tors. theta energy: -113.396
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: 9
=====================================
Write number: 484
Temperature: 1.000000
Total energy: -1322.143766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1322.143766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1322.143766 (E_RNA)
where:
Base-Base interactions energy: -920.183
where: short stacking energy: -385.555
Base-Backbone interact. energy: -0.987
local terms energy: -400.974524
where:
bonds (distance) C4'-P energy: -82.180
bonds (distance) P-C4' energy: -73.039
flat angles C4'-P-C4' energy: -87.587
flat angles P-C4'-P energy: -50.185
tors. eta vs tors. theta energy: -107.984
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: 4, replica: 5
=====================================
Write number: 484
Temperature: 1.050000
Total energy: -1248.690948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1248.690948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1248.690948 (E_RNA)
where:
Base-Base interactions energy: -862.761
where: short stacking energy: -359.762
Base-Backbone interact. energy: 0.414
local terms energy: -386.343969
where:
bonds (distance) C4'-P energy: -83.412
bonds (distance) P-C4' energy: -64.061
flat angles C4'-P-C4' energy: -82.573
flat angles P-C4'-P energy: -56.014
tors. eta vs tors. theta energy: -100.283
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: 5, replica: 3
=====================================
Write number: 484
Temperature: 1.100000
Total energy: -1106.212100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1106.212100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1106.212100 (E_RNA)
where:
Base-Base interactions energy: -752.342
where: short stacking energy: -303.104
Base-Backbone interact. energy: -1.112
local terms energy: -352.758477
where:
bonds (distance) C4'-P energy: -73.687
bonds (distance) P-C4' energy: -59.724
flat angles C4'-P-C4' energy: -85.292
flat angles P-C4'-P energy: -52.328
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: 6, replica: 1
=====================================
Write number: 484
Temperature: 1.150000
Total energy: -1096.437947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1096.437947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1096.437947 (E_RNA)
where:
Base-Base interactions energy: -740.554
where: short stacking energy: -318.219
Base-Backbone interact. energy: -2.209
local terms energy: -353.674722
where:
bonds (distance) C4'-P energy: -62.593
bonds (distance) P-C4' energy: -68.905
flat angles C4'-P-C4' energy: -84.168
flat angles P-C4'-P energy: -49.209
tors. eta vs tors. theta energy: -88.800
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: 2
=====================================
Write number: 484
Temperature: 1.200000
Total energy: -897.070961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -897.070961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -897.070961 (E_RNA)
where:
Base-Base interactions energy: -610.156
where: short stacking energy: -263.711
Base-Backbone interact. energy: -4.481
local terms energy: -282.433889
where:
bonds (distance) C4'-P energy: -64.270
bonds (distance) P-C4' energy: -69.459
flat angles C4'-P-C4' energy: -66.682
flat angles P-C4'-P energy: -33.140
tors. eta vs tors. theta energy: -48.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 484
Temperature: 1.250000
Total energy: -735.192280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -735.192280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -735.192280 (E_RNA)
where:
Base-Base interactions energy: -438.014
where: short stacking energy: -206.514
Base-Backbone interact. energy: -2.045
local terms energy: -295.133848
where:
bonds (distance) C4'-P energy: -63.448
bonds (distance) P-C4' energy: -73.389
flat angles C4'-P-C4' energy: -75.621
flat angles P-C4'-P energy: -43.961
tors. eta vs tors. theta energy: -38.714
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: 10
=====================================
Write number: 484
Temperature: 1.300000
Total energy: -601.852688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -601.852688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -601.852688 (E_RNA)
where:
Base-Base interactions energy: -352.055
where: short stacking energy: -165.147
Base-Backbone interact. energy: -1.259
local terms energy: -248.538048
where:
bonds (distance) C4'-P energy: -65.867
bonds (distance) P-C4' energy: -65.001
flat angles C4'-P-C4' energy: -67.339
flat angles P-C4'-P energy: -35.850
tors. eta vs tors. theta energy: -14.482
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: 10, replica: 6
=====================================
Write number: 484
Temperature: 1.350000
Total energy: -631.739785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -631.739785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -631.739785 (E_RNA)
where:
Base-Base interactions energy: -374.886
where: short stacking energy: -178.445
Base-Backbone interact. energy: 3.836
local terms energy: -260.689962
where:
bonds (distance) C4'-P energy: -59.655
bonds (distance) P-C4' energy: -76.713
flat angles C4'-P-C4' energy: -61.662
flat angles P-C4'-P energy: -35.454
tors. eta vs tors. theta energy: -27.206
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: 1, replica: 7
=====================================
Write number: 485
Temperature: 0.900000
Total energy: -1405.221963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1405.221963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1405.221963 (E_RNA)
where:
Base-Base interactions energy: -986.145
where: short stacking energy: -409.100
Base-Backbone interact. energy: -3.843
local terms energy: -415.234734
where:
bonds (distance) C4'-P energy: -75.855
bonds (distance) P-C4' energy: -74.640
flat angles C4'-P-C4' energy: -84.809
flat angles P-C4'-P energy: -54.834
tors. eta vs tors. theta energy: -125.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 485
Temperature: 0.950000
Total energy: -1359.341406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1359.341406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1359.341406 (E_RNA)
where:
Base-Base interactions energy: -980.645
where: short stacking energy: -372.273
Base-Backbone interact. energy: -3.932
local terms energy: -374.764355
where:
bonds (distance) C4'-P energy: -67.262
bonds (distance) P-C4' energy: -72.409
flat angles C4'-P-C4' energy: -85.264
flat angles P-C4'-P energy: -42.304
tors. eta vs tors. theta energy: -107.526
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: 3, replica: 9
=====================================
Write number: 485
Temperature: 1.000000
Total energy: -1308.972160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1308.972160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1308.972160 (E_RNA)
where:
Base-Base interactions energy: -920.802
where: short stacking energy: -371.842
Base-Backbone interact. energy: -2.149
local terms energy: -386.021587
where:
bonds (distance) C4'-P energy: -67.990
bonds (distance) P-C4' energy: -73.683
flat angles C4'-P-C4' energy: -88.586
flat angles P-C4'-P energy: -53.788
tors. eta vs tors. theta energy: -101.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 485
Temperature: 1.050000
Total energy: -1236.084688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1236.084688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1236.084688 (E_RNA)
where:
Base-Base interactions energy: -859.877
where: short stacking energy: -363.930
Base-Backbone interact. energy: -3.927
local terms energy: -372.280792
where:
bonds (distance) C4'-P energy: -79.634
bonds (distance) P-C4' energy: -60.796
flat angles C4'-P-C4' energy: -76.244
flat angles P-C4'-P energy: -59.940
tors. eta vs tors. theta energy: -95.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 485
Temperature: 1.100000
Total energy: -1126.668992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1126.668992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1126.668992 (E_RNA)
where:
Base-Base interactions energy: -767.676
where: short stacking energy: -320.706
Base-Backbone interact. energy: -2.090
local terms energy: -356.902522
where:
bonds (distance) C4'-P energy: -71.374
bonds (distance) P-C4' energy: -74.061
flat angles C4'-P-C4' energy: -79.348
flat angles P-C4'-P energy: -44.825
tors. eta vs tors. theta energy: -87.295
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: 1
=====================================
Write number: 485
Temperature: 1.150000
Total energy: -1091.499561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1091.499561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1091.499561 (E_RNA)
where:
Base-Base interactions energy: -716.972
where: short stacking energy: -301.505
Base-Backbone interact. energy: -0.071
local terms energy: -374.456604
where:
bonds (distance) C4'-P energy: -72.101
bonds (distance) P-C4' energy: -78.606
flat angles C4'-P-C4' energy: -84.967
flat angles P-C4'-P energy: -41.925
tors. eta vs tors. theta energy: -96.858
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: 7, replica: 2
=====================================
Write number: 485
Temperature: 1.200000
Total energy: -945.401021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -945.401021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -945.401021 (E_RNA)
where:
Base-Base interactions energy: -638.369
where: short stacking energy: -267.079
Base-Backbone interact. energy: -1.322
local terms energy: -305.710404
where:
bonds (distance) C4'-P energy: -67.227
bonds (distance) P-C4' energy: -70.825
flat angles C4'-P-C4' energy: -76.342
flat angles P-C4'-P energy: -29.490
tors. eta vs tors. theta energy: -61.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 485
Temperature: 1.250000
Total energy: -762.903055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -762.903055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -762.903055 (E_RNA)
where:
Base-Base interactions energy: -469.917
where: short stacking energy: -211.832
Base-Backbone interact. energy: 3.332
local terms energy: -296.318693
where:
bonds (distance) C4'-P energy: -60.680
bonds (distance) P-C4' energy: -74.314
flat angles C4'-P-C4' energy: -65.012
flat angles P-C4'-P energy: -63.020
tors. eta vs tors. theta energy: -33.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 485
Temperature: 1.300000
Total energy: -608.500326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -608.500326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -608.500326 (E_RNA)
where:
Base-Base interactions energy: -368.606
where: short stacking energy: -170.924
Base-Backbone interact. energy: -2.348
local terms energy: -237.546078
where:
bonds (distance) C4'-P energy: -60.692
bonds (distance) P-C4' energy: -61.766
flat angles C4'-P-C4' energy: -44.528
flat angles P-C4'-P energy: -51.095
tors. eta vs tors. theta energy: -19.464
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: 10, replica: 6
=====================================
Write number: 485
Temperature: 1.350000
Total energy: -590.702911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -590.702911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -590.702911 (E_RNA)
where:
Base-Base interactions energy: -345.843
where: short stacking energy: -176.189
Base-Backbone interact. energy: -1.962
local terms energy: -242.898316
where:
bonds (distance) C4'-P energy: -62.209
bonds (distance) P-C4' energy: -64.775
flat angles C4'-P-C4' energy: -62.631
flat angles P-C4'-P energy: -37.956
tors. eta vs tors. theta energy: -15.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 486
Temperature: 0.900000
Total energy: -1403.236717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1403.236717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1403.236717 (E_RNA)
where:
Base-Base interactions energy: -978.011
where: short stacking energy: -412.363
Base-Backbone interact. energy: -1.691
local terms energy: -423.535138
where:
bonds (distance) C4'-P energy: -83.856
bonds (distance) P-C4' energy: -81.118
flat angles C4'-P-C4' energy: -85.283
flat angles P-C4'-P energy: -56.435
tors. eta vs tors. theta energy: -116.843
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: 2, replica: 4
=====================================
Write number: 486
Temperature: 0.950000
Total energy: -1361.544889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1361.544889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1361.544889 (E_RNA)
where:
Base-Base interactions energy: -965.516
where: short stacking energy: -362.601
Base-Backbone interact. energy: -1.607
local terms energy: -394.422037
where:
bonds (distance) C4'-P energy: -84.731
bonds (distance) P-C4' energy: -63.932
flat angles C4'-P-C4' energy: -92.447
flat angles P-C4'-P energy: -46.207
tors. eta vs tors. theta energy: -107.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 486
Temperature: 1.000000
Total energy: -1315.026045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1315.026045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1315.026045 (E_RNA)
where:
Base-Base interactions energy: -921.117
where: short stacking energy: -373.678
Base-Backbone interact. energy: -2.642
local terms energy: -391.266950
where:
bonds (distance) C4'-P energy: -70.023
bonds (distance) P-C4' energy: -76.224
flat angles C4'-P-C4' energy: -78.589
flat angles P-C4'-P energy: -59.270
tors. eta vs tors. theta energy: -107.161
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: 4, replica: 5
=====================================
Write number: 486
Temperature: 1.050000
Total energy: -1269.072403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1269.072403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1269.072403 (E_RNA)
where:
Base-Base interactions energy: -875.444
where: short stacking energy: -367.822
Base-Backbone interact. energy: -3.135
local terms energy: -390.493346
where:
bonds (distance) C4'-P energy: -69.989
bonds (distance) P-C4' energy: -78.355
flat angles C4'-P-C4' energy: -82.410
flat angles P-C4'-P energy: -50.355
tors. eta vs tors. theta energy: -109.385
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: 1
=====================================
Write number: 486
Temperature: 1.100000
Total energy: -1122.677482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1122.677482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1122.677482 (E_RNA)
where:
Base-Base interactions energy: -759.842
where: short stacking energy: -336.782
Base-Backbone interact. energy: -1.716
local terms energy: -361.119588
where:
bonds (distance) C4'-P energy: -49.670
bonds (distance) P-C4' energy: -75.429
flat angles C4'-P-C4' energy: -78.154
flat angles P-C4'-P energy: -57.227
tors. eta vs tors. theta energy: -100.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 486
Temperature: 1.150000
Total energy: -1036.091751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1036.091751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1036.091751 (E_RNA)
where:
Base-Base interactions energy: -688.103
where: short stacking energy: -323.026
Base-Backbone interact. energy: 0.612
local terms energy: -348.600768
where:
bonds (distance) C4'-P energy: -65.763
bonds (distance) P-C4' energy: -67.344
flat angles C4'-P-C4' energy: -78.779
flat angles P-C4'-P energy: -45.483
tors. eta vs tors. theta energy: -91.232
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: 2
=====================================
Write number: 486
Temperature: 1.200000
Total energy: -886.999194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -886.999194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -886.999194 (E_RNA)
where:
Base-Base interactions energy: -586.170
where: short stacking energy: -269.221
Base-Backbone interact. energy: -0.120
local terms energy: -300.708480
where:
bonds (distance) C4'-P energy: -55.992
bonds (distance) P-C4' energy: -75.387
flat angles C4'-P-C4' energy: -71.039
flat angles P-C4'-P energy: -36.353
tors. eta vs tors. theta energy: -61.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 486
Temperature: 1.250000
Total energy: -783.821305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -783.821305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -783.821305 (E_RNA)
where:
Base-Base interactions energy: -502.854
where: short stacking energy: -225.024
Base-Backbone interact. energy: 0.983
local terms energy: -281.950835
where:
bonds (distance) C4'-P energy: -63.381
bonds (distance) P-C4' energy: -69.316
flat angles C4'-P-C4' energy: -63.584
flat angles P-C4'-P energy: -42.978
tors. eta vs tors. theta energy: -42.691
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: 9, replica: 10
=====================================
Write number: 486
Temperature: 1.300000
Total energy: -631.726041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -631.726041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -631.726041 (E_RNA)
where:
Base-Base interactions energy: -390.733
where: short stacking energy: -169.177
Base-Backbone interact. energy: 1.239
local terms energy: -242.231496
where:
bonds (distance) C4'-P energy: -68.052
bonds (distance) P-C4' energy: -70.329
flat angles C4'-P-C4' energy: -49.046
flat angles P-C4'-P energy: -27.273
tors. eta vs tors. theta energy: -27.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 486
Temperature: 1.350000
Total energy: -587.498874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -587.498874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -587.498874 (E_RNA)
where:
Base-Base interactions energy: -326.254
where: short stacking energy: -151.411
Base-Backbone interact. energy: -2.389
local terms energy: -258.855526
where:
bonds (distance) C4'-P energy: -68.495
bonds (distance) P-C4' energy: -59.936
flat angles C4'-P-C4' energy: -56.910
flat angles P-C4'-P energy: -47.831
tors. eta vs tors. theta energy: -25.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 487
Temperature: 0.900000
Total energy: -1405.168972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1405.168972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1405.168972 (E_RNA)
where:
Base-Base interactions energy: -970.905
where: short stacking energy: -418.562
Base-Backbone interact. energy: -0.861
local terms energy: -433.403225
where:
bonds (distance) C4'-P energy: -82.514
bonds (distance) P-C4' energy: -71.844
flat angles C4'-P-C4' energy: -95.135
flat angles P-C4'-P energy: -61.276
tors. eta vs tors. theta energy: -122.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 487
Temperature: 0.950000
Total energy: -1355.740353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1355.740353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1355.740353 (E_RNA)
where:
Base-Base interactions energy: -963.333
where: short stacking energy: -382.193
Base-Backbone interact. energy: -3.456
local terms energy: -390.861567
where:
bonds (distance) C4'-P energy: -79.062
bonds (distance) P-C4' energy: -77.651
flat angles C4'-P-C4' energy: -79.000
flat angles P-C4'-P energy: -59.148
tors. eta vs tors. theta energy: -96.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.910 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 487
Temperature: 1.000000
Total energy: -1340.173461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1340.173461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1340.173461 (E_RNA)
where:
Base-Base interactions energy: -924.143
where: short stacking energy: -377.523
Base-Backbone interact. energy: -3.888
local terms energy: -412.141894
where:
bonds (distance) C4'-P energy: -79.255
bonds (distance) P-C4' energy: -77.902
flat angles C4'-P-C4' energy: -87.112
flat angles P-C4'-P energy: -57.213
tors. eta vs tors. theta energy: -110.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 487
Temperature: 1.050000
Total energy: -1277.909069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1277.909069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1277.909069 (E_RNA)
where:
Base-Base interactions energy: -905.149
where: short stacking energy: -382.635
Base-Backbone interact. energy: -0.385
local terms energy: -372.374672
where:
bonds (distance) C4'-P energy: -74.908
bonds (distance) P-C4' energy: -70.337
flat angles C4'-P-C4' energy: -77.064
flat angles P-C4'-P energy: -51.259
tors. eta vs tors. theta energy: -98.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 487
Temperature: 1.100000
Total energy: -1100.176254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1100.176254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1100.176254 (E_RNA)
where:
Base-Base interactions energy: -735.816
where: short stacking energy: -303.187
Base-Backbone interact. energy: -1.411
local terms energy: -362.948497
where:
bonds (distance) C4'-P energy: -69.617
bonds (distance) P-C4' energy: -71.771
flat angles C4'-P-C4' energy: -82.773
flat angles P-C4'-P energy: -45.665
tors. eta vs tors. theta energy: -93.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 487
Temperature: 1.150000
Total energy: -1045.198533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1045.198533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1045.198533 (E_RNA)
where:
Base-Base interactions energy: -700.168
where: short stacking energy: -312.472
Base-Backbone interact. energy: -1.356
local terms energy: -343.674606
where:
bonds (distance) C4'-P energy: -69.515
bonds (distance) P-C4' energy: -71.174
flat angles C4'-P-C4' energy: -71.204
flat angles P-C4'-P energy: -44.197
tors. eta vs tors. theta energy: -87.584
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: 2
=====================================
Write number: 487
Temperature: 1.200000
Total energy: -883.010262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -883.010262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -883.010262 (E_RNA)
where:
Base-Base interactions energy: -571.529
where: short stacking energy: -263.480
Base-Backbone interact. energy: -0.891
local terms energy: -310.590548
where:
bonds (distance) C4'-P energy: -62.584
bonds (distance) P-C4' energy: -68.416
flat angles C4'-P-C4' energy: -68.068
flat angles P-C4'-P energy: -45.693
tors. eta vs tors. theta energy: -65.828
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: 8
=====================================
Write number: 487
Temperature: 1.250000
Total energy: -798.365932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -798.365932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -798.365932 (E_RNA)
where:
Base-Base interactions energy: -488.796
where: short stacking energy: -230.798
Base-Backbone interact. energy: -0.525
local terms energy: -309.044976
where:
bonds (distance) C4'-P energy: -75.712
bonds (distance) P-C4' energy: -66.081
flat angles C4'-P-C4' energy: -63.479
flat angles P-C4'-P energy: -43.497
tors. eta vs tors. theta energy: -60.276
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: 10
=====================================
Write number: 487
Temperature: 1.300000
Total energy: -636.807934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -636.807934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -636.807934 (E_RNA)
where:
Base-Base interactions energy: -371.958
where: short stacking energy: -178.159
Base-Backbone interact. energy: 1.201
local terms energy: -266.051232
where:
bonds (distance) C4'-P energy: -61.640
bonds (distance) P-C4' energy: -61.319
flat angles C4'-P-C4' energy: -68.454
flat angles P-C4'-P energy: -50.347
tors. eta vs tors. theta energy: -24.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 487
Temperature: 1.350000
Total energy: -619.502791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -619.502791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -619.502791 (E_RNA)
where:
Base-Base interactions energy: -362.866
where: short stacking energy: -166.843
Base-Backbone interact. energy: 0.341
local terms energy: -256.977803
where:
bonds (distance) C4'-P energy: -51.621
bonds (distance) P-C4' energy: -56.946
flat angles C4'-P-C4' energy: -81.149
flat angles P-C4'-P energy: -31.964
tors. eta vs tors. theta energy: -35.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 488
Temperature: 0.900000
Total energy: -1378.727063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1378.727063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1378.727063 (E_RNA)
where:
Base-Base interactions energy: -969.637
where: short stacking energy: -400.507
Base-Backbone interact. energy: -2.969
local terms energy: -406.121090
where:
bonds (distance) C4'-P energy: -66.370
bonds (distance) P-C4' energy: -76.222
flat angles C4'-P-C4' energy: -87.135
flat angles P-C4'-P energy: -61.711
tors. eta vs tors. theta energy: -114.684
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: 9
=====================================
Write number: 488
Temperature: 0.950000
Total energy: -1358.120543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1358.120543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1358.120543 (E_RNA)
where:
Base-Base interactions energy: -951.844
where: short stacking energy: -406.115
Base-Backbone interact. energy: -1.245
local terms energy: -405.031566
where:
bonds (distance) C4'-P energy: -75.871
bonds (distance) P-C4' energy: -79.454
flat angles C4'-P-C4' energy: -82.902
flat angles P-C4'-P energy: -60.821
tors. eta vs tors. theta energy: -105.984
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: 4
=====================================
Write number: 488
Temperature: 1.000000
Total energy: -1335.248521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1335.248521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1335.248521 (E_RNA)
where:
Base-Base interactions energy: -953.727
where: short stacking energy: -367.386
Base-Backbone interact. energy: -1.912
local terms energy: -379.609725
where:
bonds (distance) C4'-P energy: -57.703
bonds (distance) P-C4' energy: -79.087
flat angles C4'-P-C4' energy: -81.627
flat angles P-C4'-P energy: -56.270
tors. eta vs tors. theta energy: -104.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 488
Temperature: 1.050000
Total energy: -1277.061490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1277.061490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1277.061490 (E_RNA)
where:
Base-Base interactions energy: -883.313
where: short stacking energy: -356.148
Base-Backbone interact. energy: 0.444
local terms energy: -394.192432
where:
bonds (distance) C4'-P energy: -74.030
bonds (distance) P-C4' energy: -78.007
flat angles C4'-P-C4' energy: -82.868
flat angles P-C4'-P energy: -55.990
tors. eta vs tors. theta energy: -103.298
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: 5, replica: 3
=====================================
Write number: 488
Temperature: 1.100000
Total energy: -1076.321793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1076.321793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1076.321793 (E_RNA)
where:
Base-Base interactions energy: -755.979
where: short stacking energy: -322.084
Base-Backbone interact. energy: 3.155
local terms energy: -323.498497
where:
bonds (distance) C4'-P energy: -52.986
bonds (distance) P-C4' energy: -60.039
flat angles C4'-P-C4' energy: -80.348
flat angles P-C4'-P energy: -46.461
tors. eta vs tors. theta energy: -83.664
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: 1
=====================================
Write number: 488
Temperature: 1.150000
Total energy: -1083.065722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1083.065722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1083.065722 (E_RNA)
where:
Base-Base interactions energy: -725.384
where: short stacking energy: -329.536
Base-Backbone interact. energy: 0.242
local terms energy: -357.923785
where:
bonds (distance) C4'-P energy: -69.978
bonds (distance) P-C4' energy: -66.169
flat angles C4'-P-C4' energy: -83.291
flat angles P-C4'-P energy: -45.944
tors. eta vs tors. theta energy: -92.542
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: 2
=====================================
Write number: 488
Temperature: 1.200000
Total energy: -893.062178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -893.062178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -893.062178 (E_RNA)
where:
Base-Base interactions energy: -589.221
where: short stacking energy: -262.679
Base-Backbone interact. energy: 1.496
local terms energy: -305.337384
where:
bonds (distance) C4'-P energy: -52.539
bonds (distance) P-C4' energy: -68.908
flat angles C4'-P-C4' energy: -69.864
flat angles P-C4'-P energy: -48.131
tors. eta vs tors. theta energy: -65.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 488
Temperature: 1.250000
Total energy: -841.183383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -841.183383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -841.183383 (E_RNA)
where:
Base-Base interactions energy: -534.827
where: short stacking energy: -256.910
Base-Backbone interact. energy: 0.117
local terms energy: -306.474190
where:
bonds (distance) C4'-P energy: -60.700
bonds (distance) P-C4' energy: -61.492
flat angles C4'-P-C4' energy: -74.478
flat angles P-C4'-P energy: -52.956
tors. eta vs tors. theta energy: -56.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 488
Temperature: 1.300000
Total energy: -595.694288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -595.694288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -595.694288 (E_RNA)
where:
Base-Base interactions energy: -352.236
where: short stacking energy: -169.182
Base-Backbone interact. energy: -0.984
local terms energy: -242.474224
where:
bonds (distance) C4'-P energy: -58.595
bonds (distance) P-C4' energy: -66.835
flat angles C4'-P-C4' energy: -54.416
flat angles P-C4'-P energy: -36.793
tors. eta vs tors. theta energy: -25.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 488
Temperature: 1.350000
Total energy: -615.591491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -615.591491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -615.591491 (E_RNA)
where:
Base-Base interactions energy: -347.511
where: short stacking energy: -156.898
Base-Backbone interact. energy: 1.160
local terms energy: -269.240178
where:
bonds (distance) C4'-P energy: -66.664
bonds (distance) P-C4' energy: -65.142
flat angles C4'-P-C4' energy: -57.997
flat angles P-C4'-P energy: -47.168
tors. eta vs tors. theta energy: -32.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 489
Temperature: 0.900000
Total energy: -1410.232872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1410.232872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1410.232872 (E_RNA)
where:
Base-Base interactions energy: -991.887
where: short stacking energy: -411.997
Base-Backbone interact. energy: -0.772
local terms energy: -417.574109
where:
bonds (distance) C4'-P energy: -74.525
bonds (distance) P-C4' energy: -72.275
flat angles C4'-P-C4' energy: -87.800
flat angles P-C4'-P energy: -62.673
tors. eta vs tors. theta energy: -120.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 489
Temperature: 0.950000
Total energy: -1359.815517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1359.815517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1359.815517 (E_RNA)
where:
Base-Base interactions energy: -953.652
where: short stacking energy: -376.820
Base-Backbone interact. energy: -0.331
local terms energy: -405.832445
where:
bonds (distance) C4'-P energy: -73.305
bonds (distance) P-C4' energy: -84.222
flat angles C4'-P-C4' energy: -88.760
flat angles P-C4'-P energy: -57.710
tors. eta vs tors. theta energy: -101.836
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: 4
=====================================
Write number: 489
Temperature: 1.000000
Total energy: -1363.612606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1363.612606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1363.612606 (E_RNA)
where:
Base-Base interactions energy: -989.134
where: short stacking energy: -382.125
Base-Backbone interact. energy: -0.976
local terms energy: -373.502019
where:
bonds (distance) C4'-P energy: -73.376
bonds (distance) P-C4' energy: -65.277
flat angles C4'-P-C4' energy: -80.829
flat angles P-C4'-P energy: -51.775
tors. eta vs tors. theta energy: -102.244
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: 5
=====================================
Write number: 489
Temperature: 1.050000
Total energy: -1273.659858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1273.659858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1273.659858 (E_RNA)
where:
Base-Base interactions energy: -896.667
where: short stacking energy: -386.028
Base-Backbone interact. energy: 1.241
local terms energy: -378.233448
where:
bonds (distance) C4'-P energy: -76.166
bonds (distance) P-C4' energy: -63.878
flat angles C4'-P-C4' energy: -76.793
flat angles P-C4'-P energy: -56.488
tors. eta vs tors. theta energy: -104.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 489
Temperature: 1.100000
Total energy: -1072.734257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1072.734257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1072.734257 (E_RNA)
where:
Base-Base interactions energy: -720.246
where: short stacking energy: -331.290
Base-Backbone interact. energy: -1.991
local terms energy: -350.497014
where:
bonds (distance) C4'-P energy: -71.421
bonds (distance) P-C4' energy: -70.464
flat angles C4'-P-C4' energy: -68.358
flat angles P-C4'-P energy: -50.382
tors. eta vs tors. theta energy: -89.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 489
Temperature: 1.150000
Total energy: -1054.617950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1054.617950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1054.617950 (E_RNA)
where:
Base-Base interactions energy: -717.524
where: short stacking energy: -335.815
Base-Backbone interact. energy: -0.744
local terms energy: -336.349068
where:
bonds (distance) C4'-P energy: -60.643
bonds (distance) P-C4' energy: -56.528
flat angles C4'-P-C4' energy: -77.214
flat angles P-C4'-P energy: -52.004
tors. eta vs tors. theta energy: -89.960
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: 7, replica: 2
=====================================
Write number: 489
Temperature: 1.200000
Total energy: -874.846966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -874.846966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -874.846966 (E_RNA)
where:
Base-Base interactions energy: -577.829
where: short stacking energy: -256.493
Base-Backbone interact. energy: -0.407
local terms energy: -296.610881
where:
bonds (distance) C4'-P energy: -65.686
bonds (distance) P-C4' energy: -77.965
flat angles C4'-P-C4' energy: -67.316
flat angles P-C4'-P energy: -32.760
tors. eta vs tors. theta energy: -52.884
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: 489
Temperature: 1.250000
Total energy: -776.689777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -776.689777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -776.689777 (E_RNA)
where:
Base-Base interactions energy: -501.233
where: short stacking energy: -221.885
Base-Backbone interact. energy: 0.308
local terms energy: -275.764591
where:
bonds (distance) C4'-P energy: -55.098
bonds (distance) P-C4' energy: -67.435
flat angles C4'-P-C4' energy: -56.391
flat angles P-C4'-P energy: -47.770
tors. eta vs tors. theta energy: -49.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 489
Temperature: 1.300000
Total energy: -609.682552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -609.682552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -609.682552 (E_RNA)
where:
Base-Base interactions energy: -358.397
where: short stacking energy: -182.807
Base-Backbone interact. energy: 1.367
local terms energy: -252.652314
where:
bonds (distance) C4'-P energy: -52.665
bonds (distance) P-C4' energy: -75.366
flat angles C4'-P-C4' energy: -64.099
flat angles P-C4'-P energy: -35.577
tors. eta vs tors. theta energy: -24.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 489
Temperature: 1.350000
Total energy: -534.557087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.557087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.557087 (E_RNA)
where:
Base-Base interactions energy: -324.205
where: short stacking energy: -154.079
Base-Backbone interact. energy: -0.577
local terms energy: -209.774992
where:
bonds (distance) C4'-P energy: -43.074
bonds (distance) P-C4' energy: -66.994
flat angles C4'-P-C4' energy: -58.968
flat angles P-C4'-P energy: -37.517
tors. eta vs tors. theta energy: -3.222
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: 7
=====================================
Write number: 490
Temperature: 0.900000
Total energy: -1415.405640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1415.405640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1415.405640 (E_RNA)
where:
Base-Base interactions energy: -978.477
where: short stacking energy: -417.234
Base-Backbone interact. energy: -3.366
local terms energy: -433.562482
where:
bonds (distance) C4'-P energy: -76.066
bonds (distance) P-C4' energy: -75.865
flat angles C4'-P-C4' energy: -99.129
flat angles P-C4'-P energy: -60.016
tors. eta vs tors. theta energy: -122.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 490
Temperature: 0.950000
Total energy: -1338.704292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1338.704292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1338.704292 (E_RNA)
where:
Base-Base interactions energy: -937.177
where: short stacking energy: -390.722
Base-Backbone interact. energy: 1.188
local terms energy: -402.810692
where:
bonds (distance) C4'-P energy: -68.236
bonds (distance) P-C4' energy: -86.420
flat angles C4'-P-C4' energy: -86.838
flat angles P-C4'-P energy: -56.588
tors. eta vs tors. theta energy: -104.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.095 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 490
Temperature: 1.000000
Total energy: -1286.790340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1286.790340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1286.790340 (E_RNA)
where:
Base-Base interactions energy: -881.413
where: short stacking energy: -361.684
Base-Backbone interact. energy: -2.583
local terms energy: -402.794043
where:
bonds (distance) C4'-P energy: -78.069
bonds (distance) P-C4' energy: -79.706
flat angles C4'-P-C4' energy: -86.610
flat angles P-C4'-P energy: -56.724
tors. eta vs tors. theta energy: -101.685
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: 4
=====================================
Write number: 490
Temperature: 1.050000
Total energy: -1271.006495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1271.006495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1271.006495 (E_RNA)
where:
Base-Base interactions energy: -902.767
where: short stacking energy: -344.629
Base-Backbone interact. energy: -2.717
local terms energy: -365.522469
where:
bonds (distance) C4'-P energy: -62.076
bonds (distance) P-C4' energy: -72.955
flat angles C4'-P-C4' energy: -83.205
flat angles P-C4'-P energy: -50.582
tors. eta vs tors. theta energy: -96.704
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: 5, replica: 1
=====================================
Write number: 490
Temperature: 1.100000
Total energy: -1083.250222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1083.250222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1083.250222 (E_RNA)
where:
Base-Base interactions energy: -737.038
where: short stacking energy: -328.486
Base-Backbone interact. energy: -0.761
local terms energy: -345.450826
where:
bonds (distance) C4'-P energy: -70.591
bonds (distance) P-C4' energy: -72.150
flat angles C4'-P-C4' energy: -72.891
flat angles P-C4'-P energy: -46.270
tors. eta vs tors. theta energy: -83.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 490
Temperature: 1.150000
Total energy: -1042.985316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1042.985316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1042.985316 (E_RNA)
where:
Base-Base interactions energy: -699.153
where: short stacking energy: -325.712
Base-Backbone interact. energy: -0.453
local terms energy: -343.379169
where:
bonds (distance) C4'-P energy: -57.196
bonds (distance) P-C4' energy: -69.088
flat angles C4'-P-C4' energy: -81.896
flat angles P-C4'-P energy: -49.519
tors. eta vs tors. theta energy: -85.680
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: 2
=====================================
Write number: 490
Temperature: 1.200000
Total energy: -911.436121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -911.436121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -911.436121 (E_RNA)
where:
Base-Base interactions energy: -600.159
where: short stacking energy: -278.681
Base-Backbone interact. energy: 0.884
local terms energy: -312.160788
where:
bonds (distance) C4'-P energy: -77.364
bonds (distance) P-C4' energy: -61.497
flat angles C4'-P-C4' energy: -58.924
flat angles P-C4'-P energy: -43.011
tors. eta vs tors. theta energy: -71.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 490
Temperature: 1.250000
Total energy: -779.563580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -779.563580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -779.563580 (E_RNA)
where:
Base-Base interactions energy: -489.032
where: short stacking energy: -229.241
Base-Backbone interact. energy: 0.209
local terms energy: -290.741377
where:
bonds (distance) C4'-P energy: -72.351
bonds (distance) P-C4' energy: -62.119
flat angles C4'-P-C4' energy: -68.610
flat angles P-C4'-P energy: -47.424
tors. eta vs tors. theta energy: -40.239
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: 9, replica: 6
=====================================
Write number: 490
Temperature: 1.300000
Total energy: -650.243957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -650.243957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -650.243957 (E_RNA)
where:
Base-Base interactions energy: -402.953
where: short stacking energy: -195.789
Base-Backbone interact. energy: -1.589
local terms energy: -245.701926
where:
bonds (distance) C4'-P energy: -57.180
bonds (distance) P-C4' energy: -65.047
flat angles C4'-P-C4' energy: -58.093
flat angles P-C4'-P energy: -38.603
tors. eta vs tors. theta energy: -26.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 490
Temperature: 1.350000
Total energy: -536.769363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.769363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.769363 (E_RNA)
where:
Base-Base interactions energy: -317.798
where: short stacking energy: -154.747
Base-Backbone interact. energy: -2.577
local terms energy: -216.393665
where:
bonds (distance) C4'-P energy: -64.747
bonds (distance) P-C4' energy: -42.248
flat angles C4'-P-C4' energy: -57.132
flat angles P-C4'-P energy: -31.773
tors. eta vs tors. theta energy: -20.494
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: 1, replica: 7
=====================================
Write number: 491
Temperature: 0.900000
Total energy: -1391.261436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1391.261436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1391.261436 (E_RNA)
where:
Base-Base interactions energy: -974.889
where: short stacking energy: -400.947
Base-Backbone interact. energy: -0.681
local terms energy: -415.691167
where:
bonds (distance) C4'-P energy: -73.299
bonds (distance) P-C4' energy: -84.459
flat angles C4'-P-C4' energy: -83.135
flat angles P-C4'-P energy: -63.489
tors. eta vs tors. theta energy: -111.309
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: 9
=====================================
Write number: 491
Temperature: 0.950000
Total energy: -1336.845653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1336.845653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1336.845653 (E_RNA)
where:
Base-Base interactions energy: -945.367
where: short stacking energy: -393.665
Base-Backbone interact. energy: -1.053
local terms energy: -391.178161
where:
bonds (distance) C4'-P energy: -72.954
bonds (distance) P-C4' energy: -69.954
flat angles C4'-P-C4' energy: -84.695
flat angles P-C4'-P energy: -52.147
tors. eta vs tors. theta energy: -111.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.752 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 491
Temperature: 1.000000
Total energy: -1282.971445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1282.971445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1282.971445 (E_RNA)
where:
Base-Base interactions energy: -902.171
where: short stacking energy: -373.632
Base-Backbone interact. energy: -2.498
local terms energy: -378.303112
where:
bonds (distance) C4'-P energy: -69.741
bonds (distance) P-C4' energy: -74.315
flat angles C4'-P-C4' energy: -80.873
flat angles P-C4'-P energy: -57.909
tors. eta vs tors. theta energy: -95.465
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: 4
=====================================
Write number: 491
Temperature: 1.050000
Total energy: -1306.301218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1306.301218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1306.301218 (E_RNA)
where:
Base-Base interactions energy: -930.194
where: short stacking energy: -358.251
Base-Backbone interact. energy: -3.753
local terms energy: -372.354486
where:
bonds (distance) C4'-P energy: -67.693
bonds (distance) P-C4' energy: -67.705
flat angles C4'-P-C4' energy: -78.038
flat angles P-C4'-P energy: -57.882
tors. eta vs tors. theta energy: -101.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 491
Temperature: 1.100000
Total energy: -1053.491062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1053.491062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1053.491062 (E_RNA)
where:
Base-Base interactions energy: -705.287
where: short stacking energy: -331.077
Base-Backbone interact. energy: 0.399
local terms energy: -348.603349
where:
bonds (distance) C4'-P energy: -63.919
bonds (distance) P-C4' energy: -70.580
flat angles C4'-P-C4' energy: -74.167
flat angles P-C4'-P energy: -46.458
tors. eta vs tors. theta energy: -93.480
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: 491
Temperature: 1.150000
Total energy: -1065.593282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1065.593282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1065.593282 (E_RNA)
where:
Base-Base interactions energy: -726.791
where: short stacking energy: -328.630
Base-Backbone interact. energy: -1.360
local terms energy: -337.442505
where:
bonds (distance) C4'-P energy: -63.763
bonds (distance) P-C4' energy: -67.373
flat angles C4'-P-C4' energy: -72.973
flat angles P-C4'-P energy: -48.529
tors. eta vs tors. theta energy: -84.803
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: 2
=====================================
Write number: 491
Temperature: 1.200000
Total energy: -883.990975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -883.990975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -883.990975 (E_RNA)
where:
Base-Base interactions energy: -561.277
where: short stacking energy: -252.054
Base-Backbone interact. energy: -1.138
local terms energy: -321.575681
where:
bonds (distance) C4'-P energy: -67.719
bonds (distance) P-C4' energy: -70.433
flat angles C4'-P-C4' energy: -75.301
flat angles P-C4'-P energy: -38.572
tors. eta vs tors. theta energy: -69.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 491
Temperature: 1.250000
Total energy: -801.740905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -801.740905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -801.740905 (E_RNA)
where:
Base-Base interactions energy: -504.217
where: short stacking energy: -226.308
Base-Backbone interact. energy: -2.199
local terms energy: -295.325008
where:
bonds (distance) C4'-P energy: -76.082
bonds (distance) P-C4' energy: -66.868
flat angles C4'-P-C4' energy: -54.819
flat angles P-C4'-P energy: -52.528
tors. eta vs tors. theta energy: -45.029
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: 9, replica: 6
=====================================
Write number: 491
Temperature: 1.300000
Total energy: -660.468221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -660.468221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -660.468221 (E_RNA)
where:
Base-Base interactions energy: -400.807
where: short stacking energy: -212.941
Base-Backbone interact. energy: 1.364
local terms energy: -261.025169
where:
bonds (distance) C4'-P energy: -45.145
bonds (distance) P-C4' energy: -66.685
flat angles C4'-P-C4' energy: -75.076
flat angles P-C4'-P energy: -41.795
tors. eta vs tors. theta energy: -32.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 491
Temperature: 1.350000
Total energy: -550.972258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.972258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.972258 (E_RNA)
where:
Base-Base interactions energy: -343.313
where: short stacking energy: -142.041
Base-Backbone interact. energy: 3.062
local terms energy: -210.721096
where:
bonds (distance) C4'-P energy: -68.857
bonds (distance) P-C4' energy: -54.614
flat angles C4'-P-C4' energy: -44.894
flat angles P-C4'-P energy: -35.566
tors. eta vs tors. theta energy: -6.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 492
Temperature: 0.900000
Total energy: -1398.640224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1398.640224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1398.640224 (E_RNA)
where:
Base-Base interactions energy: -977.910
where: short stacking energy: -407.512
Base-Backbone interact. energy: -1.696
local terms energy: -419.033943
where:
bonds (distance) C4'-P energy: -72.919
bonds (distance) P-C4' energy: -83.725
flat angles C4'-P-C4' energy: -85.677
flat angles P-C4'-P energy: -58.173
tors. eta vs tors. theta energy: -118.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 492
Temperature: 0.950000
Total energy: -1363.275144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1363.275144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1363.275144 (E_RNA)
where:
Base-Base interactions energy: -959.245
where: short stacking energy: -385.913
Base-Backbone interact. energy: -2.131
local terms energy: -401.899449
where:
bonds (distance) C4'-P energy: -76.039
bonds (distance) P-C4' energy: -67.970
flat angles C4'-P-C4' energy: -85.780
flat angles P-C4'-P energy: -54.197
tors. eta vs tors. theta energy: -117.913
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: 4
=====================================
Write number: 492
Temperature: 1.000000
Total energy: -1316.235619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1316.235619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1316.235619 (E_RNA)
where:
Base-Base interactions energy: -923.218
where: short stacking energy: -369.842
Base-Backbone interact. energy: -1.697
local terms energy: -391.319955
where:
bonds (distance) C4'-P energy: -69.858
bonds (distance) P-C4' energy: -79.555
flat angles C4'-P-C4' energy: -84.557
flat angles P-C4'-P energy: -57.967
tors. eta vs tors. theta energy: -99.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 492
Temperature: 1.050000
Total energy: -1269.064411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1269.064411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1269.064411 (E_RNA)
where:
Base-Base interactions energy: -889.969
where: short stacking energy: -378.774
Base-Backbone interact. energy: 3.016
local terms energy: -382.111742
where:
bonds (distance) C4'-P energy: -75.253
bonds (distance) P-C4' energy: -69.388
flat angles C4'-P-C4' energy: -82.461
flat angles P-C4'-P energy: -56.261
tors. eta vs tors. theta energy: -98.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 492
Temperature: 1.100000
Total energy: -1093.441874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1093.441874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1093.441874 (E_RNA)
where:
Base-Base interactions energy: -734.799
where: short stacking energy: -300.973
Base-Backbone interact. energy: -0.945
local terms energy: -357.697467
where:
bonds (distance) C4'-P energy: -61.599
bonds (distance) P-C4' energy: -67.683
flat angles C4'-P-C4' energy: -81.330
flat angles P-C4'-P energy: -53.419
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: 6, replica: 1
=====================================
Write number: 492
Temperature: 1.150000
Total energy: -1064.617107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1064.617107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1064.617107 (E_RNA)
where:
Base-Base interactions energy: -725.646
where: short stacking energy: -311.926
Base-Backbone interact. energy: -0.098
local terms energy: -338.872827
where:
bonds (distance) C4'-P energy: -63.637
bonds (distance) P-C4' energy: -60.667
flat angles C4'-P-C4' energy: -83.149
flat angles P-C4'-P energy: -46.031
tors. eta vs tors. theta energy: -85.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 492
Temperature: 1.200000
Total energy: -828.573316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -828.573316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -828.573316 (E_RNA)
where:
Base-Base interactions energy: -514.860
where: short stacking energy: -227.158
Base-Backbone interact. energy: -1.538
local terms energy: -312.174724
where:
bonds (distance) C4'-P energy: -63.379
bonds (distance) P-C4' energy: -77.809
flat angles C4'-P-C4' energy: -82.698
flat angles P-C4'-P energy: -37.541
tors. eta vs tors. theta energy: -50.748
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: 8, replica: 2
=====================================
Write number: 492
Temperature: 1.250000
Total energy: -865.535479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -865.535479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -865.535479 (E_RNA)
where:
Base-Base interactions energy: -563.432
where: short stacking energy: -264.443
Base-Backbone interact. energy: -1.008
local terms energy: -301.095172
where:
bonds (distance) C4'-P energy: -67.309
bonds (distance) P-C4' energy: -67.578
flat angles C4'-P-C4' energy: -69.530
flat angles P-C4'-P energy: -37.503
tors. eta vs tors. theta energy: -59.175
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: 6
=====================================
Write number: 492
Temperature: 1.300000
Total energy: -653.199709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -653.199709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -653.199709 (E_RNA)
where:
Base-Base interactions energy: -384.681
where: short stacking energy: -172.480
Base-Backbone interact. energy: 1.562
local terms energy: -270.080745
where:
bonds (distance) C4'-P energy: -64.294
bonds (distance) P-C4' energy: -74.538
flat angles C4'-P-C4' energy: -69.980
flat angles P-C4'-P energy: -36.709
tors. eta vs tors. theta energy: -24.560
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: 10
=====================================
Write number: 492
Temperature: 1.350000
Total energy: -548.666984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.666984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.666984 (E_RNA)
where:
Base-Base interactions energy: -348.788
where: short stacking energy: -157.539
Base-Backbone interact. energy: -2.284
local terms energy: -197.594517
where:
bonds (distance) C4'-P energy: -47.629
bonds (distance) P-C4' energy: -68.293
flat angles C4'-P-C4' energy: -51.333
flat angles P-C4'-P energy: -18.708
tors. eta vs tors. theta energy: -11.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 493
Temperature: 0.900000
Total energy: -1409.308752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1409.308752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1409.308752 (E_RNA)
where:
Base-Base interactions energy: -966.509
where: short stacking energy: -414.447
Base-Backbone interact. energy: -2.362
local terms energy: -440.438075
where:
bonds (distance) C4'-P energy: -78.348
bonds (distance) P-C4' energy: -83.087
flat angles C4'-P-C4' energy: -87.874
flat angles P-C4'-P energy: -68.648
tors. eta vs tors. theta energy: -122.480
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: 9
=====================================
Write number: 493
Temperature: 0.950000
Total energy: -1361.392306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1361.392306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1361.392306 (E_RNA)
where:
Base-Base interactions energy: -954.452
where: short stacking energy: -392.921
Base-Backbone interact. energy: 0.107
local terms energy: -407.459750
where:
bonds (distance) C4'-P energy: -74.601
bonds (distance) P-C4' energy: -80.188
flat angles C4'-P-C4' energy: -85.518
flat angles P-C4'-P energy: -51.215
tors. eta vs tors. theta energy: -115.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.413 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 493
Temperature: 1.000000
Total energy: -1307.798807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1307.798807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1307.798807 (E_RNA)
where:
Base-Base interactions energy: -909.614
where: short stacking energy: -354.852
Base-Backbone interact. energy: -4.200
local terms energy: -393.984861
where:
bonds (distance) C4'-P energy: -65.565
bonds (distance) P-C4' energy: -81.884
flat angles C4'-P-C4' energy: -88.157
flat angles P-C4'-P energy: -55.421
tors. eta vs tors. theta energy: -102.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 493
Temperature: 1.050000
Total energy: -1282.231686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1282.231686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1282.231686 (E_RNA)
where:
Base-Base interactions energy: -903.770
where: short stacking energy: -373.426
Base-Backbone interact. energy: -2.977
local terms energy: -375.485202
where:
bonds (distance) C4'-P energy: -57.862
bonds (distance) P-C4' energy: -83.720
flat angles C4'-P-C4' energy: -75.842
flat angles P-C4'-P energy: -49.019
tors. eta vs tors. theta energy: -109.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 493
Temperature: 1.100000
Total energy: -1070.768648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1070.768648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1070.768648 (E_RNA)
where:
Base-Base interactions energy: -706.452
where: short stacking energy: -303.880
Base-Backbone interact. energy: 1.252
local terms energy: -365.568792
where:
bonds (distance) C4'-P energy: -80.464
bonds (distance) P-C4' energy: -71.776
flat angles C4'-P-C4' energy: -81.838
flat angles P-C4'-P energy: -48.692
tors. eta vs tors. theta energy: -82.799
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: 1
=====================================
Write number: 493
Temperature: 1.150000
Total energy: -1039.567825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1039.567825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1039.567825 (E_RNA)
where:
Base-Base interactions energy: -715.404
where: short stacking energy: -304.404
Base-Backbone interact. energy: -0.765
local terms energy: -323.399536
where:
bonds (distance) C4'-P energy: -61.175
bonds (distance) P-C4' energy: -70.996
flat angles C4'-P-C4' energy: -68.845
flat angles P-C4'-P energy: -42.270
tors. eta vs tors. theta energy: -80.114
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: 8
=====================================
Write number: 493
Temperature: 1.200000
Total energy: -855.485864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -855.485864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -855.485864 (E_RNA)
where:
Base-Base interactions energy: -556.197
where: short stacking energy: -236.735
Base-Backbone interact. energy: -0.403
local terms energy: -298.885411
where:
bonds (distance) C4'-P energy: -59.376
bonds (distance) P-C4' energy: -77.127
flat angles C4'-P-C4' energy: -57.703
flat angles P-C4'-P energy: -53.250
tors. eta vs tors. theta energy: -51.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 493
Temperature: 1.250000
Total energy: -853.926860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -853.926860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -853.926860 (E_RNA)
where:
Base-Base interactions energy: -584.626
where: short stacking energy: -243.786
Base-Backbone interact. energy: 2.990
local terms energy: -272.290718
where:
bonds (distance) C4'-P energy: -61.021
bonds (distance) P-C4' energy: -67.917
flat angles C4'-P-C4' energy: -65.701
flat angles P-C4'-P energy: -47.563
tors. eta vs tors. theta energy: -30.089
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: 6
=====================================
Write number: 493
Temperature: 1.300000
Total energy: -734.089419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -734.089419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -734.089419 (E_RNA)
where:
Base-Base interactions energy: -445.743
where: short stacking energy: -222.486
Base-Backbone interact. energy: -1.856
local terms energy: -286.490661
where:
bonds (distance) C4'-P energy: -65.934
bonds (distance) P-C4' energy: -61.036
flat angles C4'-P-C4' energy: -65.144
flat angles P-C4'-P energy: -49.993
tors. eta vs tors. theta energy: -44.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 493
Temperature: 1.350000
Total energy: -516.149697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.149697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.149697 (E_RNA)
where:
Base-Base interactions energy: -299.160
where: short stacking energy: -133.597
Base-Backbone interact. energy: 1.972
local terms energy: -218.961727
where:
bonds (distance) C4'-P energy: -60.196
bonds (distance) P-C4' energy: -63.517
flat angles C4'-P-C4' energy: -62.081
flat angles P-C4'-P energy: -27.675
tors. eta vs tors. theta energy: -5.493
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: 9
=====================================
Write number: 494
Temperature: 0.900000
Total energy: -1380.287667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1380.287667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1380.287667 (E_RNA)
where:
Base-Base interactions energy: -959.318
where: short stacking energy: -396.597
Base-Backbone interact. energy: -1.239
local terms energy: -420.726385
where:
bonds (distance) C4'-P energy: -81.897
bonds (distance) P-C4' energy: -82.119
flat angles C4'-P-C4' energy: -94.002
flat angles P-C4'-P energy: -55.625
tors. eta vs tors. theta energy: -107.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.996 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 494
Temperature: 0.950000
Total energy: -1373.474701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1373.474701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1373.474701 (E_RNA)
where:
Base-Base interactions energy: -949.346
where: short stacking energy: -404.599
Base-Backbone interact. energy: 0.359
local terms energy: -424.487715
where:
bonds (distance) C4'-P energy: -75.799
bonds (distance) P-C4' energy: -80.842
flat angles C4'-P-C4' energy: -88.242
flat angles P-C4'-P energy: -61.296
tors. eta vs tors. theta energy: -118.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 494
Temperature: 1.000000
Total energy: -1329.998152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1329.998152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1329.998152 (E_RNA)
where:
Base-Base interactions energy: -948.740
where: short stacking energy: -357.784
Base-Backbone interact. energy: -2.082
local terms energy: -379.176258
where:
bonds (distance) C4'-P energy: -70.251
bonds (distance) P-C4' energy: -74.601
flat angles C4'-P-C4' energy: -71.268
flat angles P-C4'-P energy: -53.540
tors. eta vs tors. theta energy: -109.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 494
Temperature: 1.050000
Total energy: -1274.918083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1274.918083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1274.918083 (E_RNA)
where:
Base-Base interactions energy: -890.810
where: short stacking energy: -375.058
Base-Backbone interact. energy: -0.294
local terms energy: -383.814738
where:
bonds (distance) C4'-P energy: -70.433
bonds (distance) P-C4' energy: -76.985
flat angles C4'-P-C4' energy: -82.756
flat angles P-C4'-P energy: -46.735
tors. eta vs tors. theta energy: -106.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 494
Temperature: 1.100000
Total energy: -1067.857583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1067.857583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1067.857583 (E_RNA)
where:
Base-Base interactions energy: -710.583
where: short stacking energy: -321.179
Base-Backbone interact. energy: -0.853
local terms energy: -356.421811
where:
bonds (distance) C4'-P energy: -49.932
bonds (distance) P-C4' energy: -79.148
flat angles C4'-P-C4' energy: -71.079
flat angles P-C4'-P energy: -55.124
tors. eta vs tors. theta energy: -101.138
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: 6, replica: 1
=====================================
Write number: 494
Temperature: 1.150000
Total energy: -1091.584494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1091.584494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1091.584494 (E_RNA)
where:
Base-Base interactions energy: -746.543
where: short stacking energy: -316.827
Base-Backbone interact. energy: -1.324
local terms energy: -343.717844
where:
bonds (distance) C4'-P energy: -64.953
bonds (distance) P-C4' energy: -71.208
flat angles C4'-P-C4' energy: -71.927
flat angles P-C4'-P energy: -51.116
tors. eta vs tors. theta energy: -84.514
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: 2
=====================================
Write number: 494
Temperature: 1.200000
Total energy: -948.797117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -948.797117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -948.797117 (E_RNA)
where:
Base-Base interactions energy: -646.163
where: short stacking energy: -287.623
Base-Backbone interact. energy: 4.692
local terms energy: -307.326188
where:
bonds (distance) C4'-P energy: -58.263
bonds (distance) P-C4' energy: -76.678
flat angles C4'-P-C4' energy: -62.273
flat angles P-C4'-P energy: -50.215
tors. eta vs tors. theta energy: -59.897
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: 8
=====================================
Write number: 494
Temperature: 1.250000
Total energy: -850.552736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -850.552736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -850.552736 (E_RNA)
where:
Base-Base interactions energy: -541.399
where: short stacking energy: -237.276
Base-Backbone interact. energy: 4.742
local terms energy: -313.895625
where:
bonds (distance) C4'-P energy: -62.361
bonds (distance) P-C4' energy: -72.860
flat angles C4'-P-C4' energy: -75.043
flat angles P-C4'-P energy: -56.239
tors. eta vs tors. theta energy: -47.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 494
Temperature: 1.300000
Total energy: -723.624162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -723.624162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -723.624162 (E_RNA)
where:
Base-Base interactions energy: -453.297
where: short stacking energy: -194.977
Base-Backbone interact. energy: 0.773
local terms energy: -271.099972
where:
bonds (distance) C4'-P energy: -58.136
bonds (distance) P-C4' energy: -57.141
flat angles C4'-P-C4' energy: -72.464
flat angles P-C4'-P energy: -37.680
tors. eta vs tors. theta energy: -45.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 494
Temperature: 1.350000
Total energy: -443.211545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.211545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.211545 (E_RNA)
where:
Base-Base interactions energy: -246.542
where: short stacking energy: -118.859
Base-Backbone interact. energy: 5.338
local terms energy: -202.007776
where:
bonds (distance) C4'-P energy: -64.699
bonds (distance) P-C4' energy: -49.778
flat angles C4'-P-C4' energy: -57.331
flat angles P-C4'-P energy: -36.542
tors. eta vs tors. theta energy: 6.342
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: 1, replica: 9
=====================================
Write number: 495
Temperature: 0.900000
Total energy: -1390.265267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1390.265267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1390.265267 (E_RNA)
where:
Base-Base interactions energy: -979.181
where: short stacking energy: -409.306
Base-Backbone interact. energy: -2.391
local terms energy: -408.693514
where:
bonds (distance) C4'-P energy: -78.073
bonds (distance) P-C4' energy: -82.506
flat angles C4'-P-C4' energy: -78.326
flat angles P-C4'-P energy: -58.530
tors. eta vs tors. theta energy: -111.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 495
Temperature: 0.950000
Total energy: -1364.457434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1364.457434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1364.457434 (E_RNA)
where:
Base-Base interactions energy: -950.084
where: short stacking energy: -391.324
Base-Backbone interact. energy: -1.735
local terms energy: -412.638282
where:
bonds (distance) C4'-P energy: -76.039
bonds (distance) P-C4' energy: -76.648
flat angles C4'-P-C4' energy: -92.800
flat angles P-C4'-P energy: -59.345
tors. eta vs tors. theta energy: -107.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 495
Temperature: 1.000000
Total energy: -1334.194274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1334.194274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1334.194274 (E_RNA)
where:
Base-Base interactions energy: -940.479
where: short stacking energy: -365.986
Base-Backbone interact. energy: -1.947
local terms energy: -391.767973
where:
bonds (distance) C4'-P energy: -81.340
bonds (distance) P-C4' energy: -74.807
flat angles C4'-P-C4' energy: -80.481
flat angles P-C4'-P energy: -53.271
tors. eta vs tors. theta energy: -101.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 495
Temperature: 1.050000
Total energy: -1288.659525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1288.659525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1288.659525 (E_RNA)
where:
Base-Base interactions energy: -914.323
where: short stacking energy: -379.049
Base-Backbone interact. energy: -2.125
local terms energy: -372.211793
where:
bonds (distance) C4'-P energy: -75.498
bonds (distance) P-C4' energy: -66.755
flat angles C4'-P-C4' energy: -86.359
flat angles P-C4'-P energy: -42.255
tors. eta vs tors. theta energy: -101.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 495
Temperature: 1.100000
Total energy: -1050.612747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1050.612747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1050.612747 (E_RNA)
where:
Base-Base interactions energy: -705.862
where: short stacking energy: -306.509
Base-Backbone interact. energy: -2.347
local terms energy: -342.403810
where:
bonds (distance) C4'-P energy: -58.018
bonds (distance) P-C4' energy: -66.935
flat angles C4'-P-C4' energy: -71.964
flat angles P-C4'-P energy: -59.049
tors. eta vs tors. theta energy: -86.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 495
Temperature: 1.150000
Total energy: -1060.640668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1060.640668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1060.640668 (E_RNA)
where:
Base-Base interactions energy: -728.419
where: short stacking energy: -307.672
Base-Backbone interact. energy: 6.319
local terms energy: -338.541265
where:
bonds (distance) C4'-P energy: -75.294
bonds (distance) P-C4' energy: -56.501
flat angles C4'-P-C4' energy: -78.776
flat angles P-C4'-P energy: -52.202
tors. eta vs tors. theta energy: -75.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 495
Temperature: 1.200000
Total energy: -982.841930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -982.841930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -982.841930 (E_RNA)
where:
Base-Base interactions energy: -651.518
where: short stacking energy: -287.521
Base-Backbone interact. energy: -1.282
local terms energy: -330.458244
where:
bonds (distance) C4'-P energy: -63.340
bonds (distance) P-C4' energy: -72.976
flat angles C4'-P-C4' energy: -75.239
flat angles P-C4'-P energy: -39.571
tors. eta vs tors. theta energy: -79.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.416 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 495
Temperature: 1.250000
Total energy: -858.519895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -858.519895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -858.519895 (E_RNA)
where:
Base-Base interactions energy: -546.333
where: short stacking energy: -243.152
Base-Backbone interact. energy: -2.481
local terms energy: -310.512156
where:
bonds (distance) C4'-P energy: -54.385
bonds (distance) P-C4' energy: -75.424
flat angles C4'-P-C4' energy: -69.969
flat angles P-C4'-P energy: -54.584
tors. eta vs tors. theta energy: -56.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.806 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 495
Temperature: 1.300000
Total energy: -738.324832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -738.324832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -738.324832 (E_RNA)
where:
Base-Base interactions energy: -460.539
where: short stacking energy: -218.541
Base-Backbone interact. energy: -0.158
local terms energy: -277.628644
where:
bonds (distance) C4'-P energy: -55.619
bonds (distance) P-C4' energy: -69.843
flat angles C4'-P-C4' energy: -75.399
flat angles P-C4'-P energy: -30.803
tors. eta vs tors. theta energy: -45.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 495
Temperature: 1.350000
Total energy: -428.316397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.316397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.316397 (E_RNA)
where:
Base-Base interactions energy: -226.443
where: short stacking energy: -144.900
Base-Backbone interact. energy: -0.619
local terms energy: -201.254115
where:
bonds (distance) C4'-P energy: -48.770
bonds (distance) P-C4' energy: -67.877
flat angles C4'-P-C4' energy: -43.228
flat angles P-C4'-P energy: -35.763
tors. eta vs tors. theta energy: -5.616
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: 9
=====================================
Write number: 496
Temperature: 0.900000
Total energy: -1387.115400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1387.115400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1387.115400 (E_RNA)
where:
Base-Base interactions energy: -960.041
where: short stacking energy: -398.261
Base-Backbone interact. energy: -1.183
local terms energy: -427.364522
where:
bonds (distance) C4'-P energy: -78.413
bonds (distance) P-C4' energy: -76.282
flat angles C4'-P-C4' energy: -92.449
flat angles P-C4'-P energy: -60.290
tors. eta vs tors. theta energy: -119.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.473 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 496
Temperature: 0.950000
Total energy: -1382.393994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1382.393994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1382.393994 (E_RNA)
where:
Base-Base interactions energy: -963.650
where: short stacking energy: -433.303
Base-Backbone interact. energy: 0.823
local terms energy: -419.566758
where:
bonds (distance) C4'-P energy: -74.585
bonds (distance) P-C4' energy: -81.593
flat angles C4'-P-C4' energy: -87.338
flat angles P-C4'-P energy: -58.455
tors. eta vs tors. theta energy: -117.596
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: 3, replica: 4
=====================================
Write number: 496
Temperature: 1.000000
Total energy: -1331.550644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1331.550644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1331.550644 (E_RNA)
where:
Base-Base interactions energy: -940.873
where: short stacking energy: -349.226
Base-Backbone interact. energy: -4.240
local terms energy: -386.437882
where:
bonds (distance) C4'-P energy: -73.443
bonds (distance) P-C4' energy: -76.755
flat angles C4'-P-C4' energy: -84.858
flat angles P-C4'-P energy: -55.802
tors. eta vs tors. theta energy: -95.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 496
Temperature: 1.050000
Total energy: -1303.198994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1303.198994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1303.198994 (E_RNA)
where:
Base-Base interactions energy: -916.246
where: short stacking energy: -380.921
Base-Backbone interact. energy: -0.528
local terms energy: -386.424876
where:
bonds (distance) C4'-P energy: -70.045
bonds (distance) P-C4' energy: -70.686
flat angles C4'-P-C4' energy: -84.242
flat angles P-C4'-P energy: -54.101
tors. eta vs tors. theta energy: -107.351
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: 1
=====================================
Write number: 496
Temperature: 1.100000
Total energy: -1084.045076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1084.045076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1084.045076 (E_RNA)
where:
Base-Base interactions energy: -747.201
where: short stacking energy: -320.967
Base-Backbone interact. energy: -1.793
local terms energy: -335.050808
where:
bonds (distance) C4'-P energy: -60.027
bonds (distance) P-C4' energy: -63.928
flat angles C4'-P-C4' energy: -81.333
flat angles P-C4'-P energy: -50.154
tors. eta vs tors. theta energy: -79.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 496
Temperature: 1.150000
Total energy: -1024.461970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1024.461970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1024.461970 (E_RNA)
where:
Base-Base interactions energy: -682.502
where: short stacking energy: -298.600
Base-Backbone interact. energy: -0.522
local terms energy: -341.438476
where:
bonds (distance) C4'-P energy: -73.005
bonds (distance) P-C4' energy: -70.538
flat angles C4'-P-C4' energy: -73.608
flat angles P-C4'-P energy: -44.641
tors. eta vs tors. theta energy: -79.647
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: 7, replica: 2
=====================================
Write number: 496
Temperature: 1.200000
Total energy: -926.773370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -926.773370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -926.773370 (E_RNA)
where:
Base-Base interactions energy: -605.883
where: short stacking energy: -281.072
Base-Backbone interact. energy: -0.247
local terms energy: -320.643426
where:
bonds (distance) C4'-P energy: -66.915
bonds (distance) P-C4' energy: -74.005
flat angles C4'-P-C4' energy: -78.257
flat angles P-C4'-P energy: -37.392
tors. eta vs tors. theta energy: -64.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 496
Temperature: 1.250000
Total energy: -778.914851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -778.914851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -778.914851 (E_RNA)
where:
Base-Base interactions energy: -489.019
where: short stacking energy: -222.770
Base-Backbone interact. energy: 3.039
local terms energy: -292.934108
where:
bonds (distance) C4'-P energy: -61.883
bonds (distance) P-C4' energy: -62.667
flat angles C4'-P-C4' energy: -69.412
flat angles P-C4'-P energy: -62.088
tors. eta vs tors. theta energy: -36.885
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: 6
=====================================
Write number: 496
Temperature: 1.300000
Total energy: -723.306754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -723.306754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -723.306754 (E_RNA)
where:
Base-Base interactions energy: -439.518
where: short stacking energy: -207.583
Base-Backbone interact. energy: -1.119
local terms energy: -282.670051
where:
bonds (distance) C4'-P energy: -67.765
bonds (distance) P-C4' energy: -66.467
flat angles C4'-P-C4' energy: -63.824
flat angles P-C4'-P energy: -38.650
tors. eta vs tors. theta energy: -45.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 496
Temperature: 1.350000
Total energy: -440.205199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.205199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.205199 (E_RNA)
where:
Base-Base interactions energy: -220.468
where: short stacking energy: -130.184
Base-Backbone interact. energy: -1.871
local terms energy: -217.866063
where:
bonds (distance) C4'-P energy: -62.225
bonds (distance) P-C4' energy: -56.064
flat angles C4'-P-C4' energy: -64.748
flat angles P-C4'-P energy: -30.636
tors. eta vs tors. theta energy: -4.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 497
Temperature: 0.900000
Total energy: -1399.670795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1399.670795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1399.670795 (E_RNA)
where:
Base-Base interactions energy: -974.718
where: short stacking energy: -401.478
Base-Backbone interact. energy: -1.378
local terms energy: -423.574557
where:
bonds (distance) C4'-P energy: -78.971
bonds (distance) P-C4' energy: -85.002
flat angles C4'-P-C4' energy: -93.238
flat angles P-C4'-P energy: -51.368
tors. eta vs tors. theta energy: -114.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 497
Temperature: 0.950000
Total energy: -1349.567636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1349.567636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1349.567636 (E_RNA)
where:
Base-Base interactions energy: -947.045
where: short stacking energy: -391.634
Base-Backbone interact. energy: -1.083
local terms energy: -401.439498
where:
bonds (distance) C4'-P energy: -64.731
bonds (distance) P-C4' energy: -78.555
flat angles C4'-P-C4' energy: -88.126
flat angles P-C4'-P energy: -56.690
tors. eta vs tors. theta energy: -113.338
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: 4
=====================================
Write number: 497
Temperature: 1.000000
Total energy: -1328.127376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1328.127376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1328.127376 (E_RNA)
where:
Base-Base interactions energy: -942.851
where: short stacking energy: -382.501
Base-Backbone interact. energy: -3.129
local terms energy: -382.147125
where:
bonds (distance) C4'-P energy: -66.051
bonds (distance) P-C4' energy: -71.913
flat angles C4'-P-C4' energy: -85.658
flat angles P-C4'-P energy: -53.203
tors. eta vs tors. theta energy: -105.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 497
Temperature: 1.050000
Total energy: -1264.462130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1264.462130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1264.462130 (E_RNA)
where:
Base-Base interactions energy: -885.826
where: short stacking energy: -357.612
Base-Backbone interact. energy: -1.177
local terms energy: -377.459176
where:
bonds (distance) C4'-P energy: -61.862
bonds (distance) P-C4' energy: -67.211
flat angles C4'-P-C4' energy: -83.811
flat angles P-C4'-P energy: -64.160
tors. eta vs tors. theta energy: -100.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 497
Temperature: 1.100000
Total energy: -1085.239033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1085.239033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1085.239033 (E_RNA)
where:
Base-Base interactions energy: -742.134
where: short stacking energy: -331.696
Base-Backbone interact. energy: -0.674
local terms energy: -342.430778
where:
bonds (distance) C4'-P energy: -64.204
bonds (distance) P-C4' energy: -79.544
flat angles C4'-P-C4' energy: -73.293
flat angles P-C4'-P energy: -35.319
tors. eta vs tors. theta energy: -90.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 497
Temperature: 1.150000
Total energy: -1048.099166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1048.099166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1048.099166 (E_RNA)
where:
Base-Base interactions energy: -697.500
where: short stacking energy: -301.144
Base-Backbone interact. energy: 1.280
local terms energy: -351.879529
where:
bonds (distance) C4'-P energy: -68.489
bonds (distance) P-C4' energy: -57.837
flat angles C4'-P-C4' energy: -74.514
flat angles P-C4'-P energy: -60.401
tors. eta vs tors. theta energy: -90.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 497
Temperature: 1.200000
Total energy: -895.486765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -895.486765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -895.486765 (E_RNA)
where:
Base-Base interactions energy: -605.284
where: short stacking energy: -257.681
Base-Backbone interact. energy: -1.676
local terms energy: -288.527233
where:
bonds (distance) C4'-P energy: -52.960
bonds (distance) P-C4' energy: -72.357
flat angles C4'-P-C4' energy: -66.848
flat angles P-C4'-P energy: -42.965
tors. eta vs tors. theta energy: -53.397
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: 6
=====================================
Write number: 497
Temperature: 1.250000
Total energy: -736.269573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -736.269573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -736.269573 (E_RNA)
where:
Base-Base interactions energy: -457.934
where: short stacking energy: -207.807
Base-Backbone interact. energy: -1.103
local terms energy: -277.232880
where:
bonds (distance) C4'-P energy: -55.674
bonds (distance) P-C4' energy: -74.062
flat angles C4'-P-C4' energy: -63.240
flat angles P-C4'-P energy: -39.346
tors. eta vs tors. theta energy: -44.910
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: 8
=====================================
Write number: 497
Temperature: 1.300000
Total energy: -746.602334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -746.602334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -746.602334 (E_RNA)
where:
Base-Base interactions energy: -476.071
where: short stacking energy: -222.417
Base-Backbone interact. energy: -3.019
local terms energy: -267.512404
where:
bonds (distance) C4'-P energy: -54.403
bonds (distance) P-C4' energy: -52.179
flat angles C4'-P-C4' energy: -76.268
flat angles P-C4'-P energy: -47.295
tors. eta vs tors. theta energy: -37.367
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: 497
Temperature: 1.350000
Total energy: -414.226169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.226169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.226169 (E_RNA)
where:
Base-Base interactions energy: -200.172
where: short stacking energy: -117.493
Base-Backbone interact. energy: 4.998
local terms energy: -219.052604
where:
bonds (distance) C4'-P energy: -79.142
bonds (distance) P-C4' energy: -57.983
flat angles C4'-P-C4' energy: -49.018
flat angles P-C4'-P energy: -33.565
tors. eta vs tors. theta energy: 0.655
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: 9
=====================================
Write number: 498
Temperature: 0.900000
Total energy: -1394.648854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1394.648854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1394.648854 (E_RNA)
where:
Base-Base interactions energy: -981.341
where: short stacking energy: -406.839
Base-Backbone interact. energy: -1.256
local terms energy: -412.226023
where:
bonds (distance) C4'-P energy: -74.859
bonds (distance) P-C4' energy: -82.597
flat angles C4'-P-C4' energy: -90.878
flat angles P-C4'-P energy: -53.561
tors. eta vs tors. theta energy: -110.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.174 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 498
Temperature: 0.950000
Total energy: -1364.250561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1364.250561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1364.250561 (E_RNA)
where:
Base-Base interactions energy: -950.856
where: short stacking energy: -391.796
Base-Backbone interact. energy: -2.642
local terms energy: -410.752277
where:
bonds (distance) C4'-P energy: -67.157
bonds (distance) P-C4' energy: -86.688
flat angles C4'-P-C4' energy: -76.441
flat angles P-C4'-P energy: -63.918
tors. eta vs tors. theta energy: -116.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 498
Temperature: 1.000000
Total energy: -1307.304868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1307.304868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1307.304868 (E_RNA)
where:
Base-Base interactions energy: -925.137
where: short stacking energy: -376.084
Base-Backbone interact. energy: -1.921
local terms energy: -380.247450
where:
bonds (distance) C4'-P energy: -69.983
bonds (distance) P-C4' energy: -71.906
flat angles C4'-P-C4' energy: -80.277
flat angles P-C4'-P energy: -56.406
tors. eta vs tors. theta energy: -101.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 498
Temperature: 1.050000
Total energy: -1265.330965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1265.330965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1265.330965 (E_RNA)
where:
Base-Base interactions energy: -885.301
where: short stacking energy: -365.692
Base-Backbone interact. energy: -0.720
local terms energy: -379.310113
where:
bonds (distance) C4'-P energy: -67.446
bonds (distance) P-C4' energy: -71.100
flat angles C4'-P-C4' energy: -85.957
flat angles P-C4'-P energy: -53.242
tors. eta vs tors. theta energy: -101.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 498
Temperature: 1.100000
Total energy: -1117.721097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1117.721097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1117.721097 (E_RNA)
where:
Base-Base interactions energy: -752.676
where: short stacking energy: -324.583
Base-Backbone interact. energy: 0.016
local terms energy: -365.061966
where:
bonds (distance) C4'-P energy: -69.452
bonds (distance) P-C4' energy: -69.514
flat angles C4'-P-C4' energy: -81.219
flat angles P-C4'-P energy: -52.864
tors. eta vs tors. theta energy: -92.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 498
Temperature: 1.150000
Total energy: -1074.407156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1074.407156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1074.407156 (E_RNA)
where:
Base-Base interactions energy: -716.434
where: short stacking energy: -309.850
Base-Backbone interact. energy: -0.478
local terms energy: -357.494850
where:
bonds (distance) C4'-P energy: -71.943
bonds (distance) P-C4' energy: -78.507
flat angles C4'-P-C4' energy: -72.342
flat angles P-C4'-P energy: -52.530
tors. eta vs tors. theta energy: -82.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 498
Temperature: 1.200000
Total energy: -940.378424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -940.378424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -940.378424 (E_RNA)
where:
Base-Base interactions energy: -650.563
where: short stacking energy: -305.539
Base-Backbone interact. energy: 0.348
local terms energy: -290.163152
where:
bonds (distance) C4'-P energy: -69.331
bonds (distance) P-C4' energy: -56.124
flat angles C4'-P-C4' energy: -66.236
flat angles P-C4'-P energy: -32.028
tors. eta vs tors. theta energy: -66.443
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: 6
=====================================
Write number: 498
Temperature: 1.250000
Total energy: -760.668963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -760.668963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -760.668963 (E_RNA)
where:
Base-Base interactions energy: -472.511
where: short stacking energy: -230.727
Base-Backbone interact. energy: -1.527
local terms energy: -286.631072
where:
bonds (distance) C4'-P energy: -67.082
bonds (distance) P-C4' energy: -75.435
flat angles C4'-P-C4' energy: -61.295
flat angles P-C4'-P energy: -33.975
tors. eta vs tors. theta energy: -48.845
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: 8
=====================================
Write number: 498
Temperature: 1.300000
Total energy: -777.260265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -777.260265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -777.260265 (E_RNA)
where:
Base-Base interactions energy: -499.939
where: short stacking energy: -208.597
Base-Backbone interact. energy: 2.714
local terms energy: -280.035818
where:
bonds (distance) C4'-P energy: -58.407
bonds (distance) P-C4' energy: -60.065
flat angles C4'-P-C4' energy: -73.632
flat angles P-C4'-P energy: -47.440
tors. eta vs tors. theta energy: -40.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 498
Temperature: 1.350000
Total energy: -426.612194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.612194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.612194 (E_RNA)
where:
Base-Base interactions energy: -202.316
where: short stacking energy: -112.576
Base-Backbone interact. energy: -0.159
local terms energy: -224.137375
where:
bonds (distance) C4'-P energy: -58.381
bonds (distance) P-C4' energy: -69.155
flat angles C4'-P-C4' energy: -57.933
flat angles P-C4'-P energy: -39.938
tors. eta vs tors. theta energy: 1.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 499
Temperature: 0.900000
Total energy: -1387.220472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1387.220472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1387.220472 (E_RNA)
where:
Base-Base interactions energy: -958.666
where: short stacking energy: -400.835
Base-Backbone interact. energy: -0.741
local terms energy: -427.813196
where:
bonds (distance) C4'-P energy: -82.351
bonds (distance) P-C4' energy: -78.585
flat angles C4'-P-C4' energy: -87.743
flat angles P-C4'-P energy: -64.462
tors. eta vs tors. theta energy: -114.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 499
Temperature: 0.950000
Total energy: -1362.961582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1362.961582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1362.961582 (E_RNA)
where:
Base-Base interactions energy: -939.211
where: short stacking energy: -402.439
Base-Backbone interact. energy: -1.458
local terms energy: -422.292454
where:
bonds (distance) C4'-P energy: -79.366
bonds (distance) P-C4' energy: -71.814
flat angles C4'-P-C4' energy: -86.221
flat angles P-C4'-P energy: -58.388
tors. eta vs tors. theta energy: -126.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 499
Temperature: 1.000000
Total energy: -1315.797325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1315.797325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1315.797325 (E_RNA)
where:
Base-Base interactions energy: -922.466
where: short stacking energy: -367.359
Base-Backbone interact. energy: -0.590
local terms energy: -392.741822
where:
bonds (distance) C4'-P energy: -74.029
bonds (distance) P-C4' energy: -61.731
flat angles C4'-P-C4' energy: -95.156
flat angles P-C4'-P energy: -53.025
tors. eta vs tors. theta energy: -108.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 499
Temperature: 1.050000
Total energy: -1289.019444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1289.019444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1289.019444 (E_RNA)
where:
Base-Base interactions energy: -904.482
where: short stacking energy: -384.336
Base-Backbone interact. energy: -2.246
local terms energy: -382.291267
where:
bonds (distance) C4'-P energy: -70.798
bonds (distance) P-C4' energy: -78.335
flat angles C4'-P-C4' energy: -73.077
flat angles P-C4'-P energy: -50.458
tors. eta vs tors. theta energy: -109.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 499
Temperature: 1.100000
Total energy: -1086.601063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1086.601063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1086.601063 (E_RNA)
where:
Base-Base interactions energy: -741.375
where: short stacking energy: -326.758
Base-Backbone interact. energy: -1.552
local terms energy: -343.674054
where:
bonds (distance) C4'-P energy: -56.884
bonds (distance) P-C4' energy: -66.642
flat angles C4'-P-C4' energy: -77.870
flat angles P-C4'-P energy: -56.170
tors. eta vs tors. theta energy: -86.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 499
Temperature: 1.150000
Total energy: -1058.625701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1058.625701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1058.625701 (E_RNA)
where:
Base-Base interactions energy: -729.936
where: short stacking energy: -316.692
Base-Backbone interact. energy: 0.464
local terms energy: -329.154377
where:
bonds (distance) C4'-P energy: -60.496
bonds (distance) P-C4' energy: -64.259
flat angles C4'-P-C4' energy: -77.057
flat angles P-C4'-P energy: -45.086
tors. eta vs tors. theta energy: -82.256
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: 2
=====================================
Write number: 499
Temperature: 1.200000
Total energy: -918.014233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -918.014233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -918.014233 (E_RNA)
where:
Base-Base interactions energy: -600.424
where: short stacking energy: -255.075
Base-Backbone interact. energy: -2.157
local terms energy: -315.433015
where:
bonds (distance) C4'-P energy: -69.126
bonds (distance) P-C4' energy: -77.814
flat angles C4'-P-C4' energy: -67.663
flat angles P-C4'-P energy: -46.177
tors. eta vs tors. theta energy: -54.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 499
Temperature: 1.250000
Total energy: -775.171936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -775.171936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -775.171936 (E_RNA)
where:
Base-Base interactions energy: -463.873
where: short stacking energy: -221.672
Base-Backbone interact. energy: -1.527
local terms energy: -309.771754
where:
bonds (distance) C4'-P energy: -72.901
bonds (distance) P-C4' energy: -65.291
flat angles C4'-P-C4' energy: -68.341
flat angles P-C4'-P energy: -42.919
tors. eta vs tors. theta energy: -60.320
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: 8
=====================================
Write number: 499
Temperature: 1.300000
Total energy: -798.314562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -798.314562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -798.314562 (E_RNA)
where:
Base-Base interactions energy: -501.488
where: short stacking energy: -226.764
Base-Backbone interact. energy: -2.652
local terms energy: -294.221599
where:
bonds (distance) C4'-P energy: -65.935
bonds (distance) P-C4' energy: -63.549
flat angles C4'-P-C4' energy: -62.921
flat angles P-C4'-P energy: -46.982
tors. eta vs tors. theta energy: -54.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.047 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 499
Temperature: 1.350000
Total energy: -407.864080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.864080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.864080 (E_RNA)
where:
Base-Base interactions energy: -208.468
where: short stacking energy: -116.093
Base-Backbone interact. energy: 0.343
local terms energy: -199.738962
where:
bonds (distance) C4'-P energy: -60.053
bonds (distance) P-C4' energy: -54.027
flat angles C4'-P-C4' energy: -51.055
flat angles P-C4'-P energy: -28.917
tors. eta vs tors. theta energy: -5.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 500
Temperature: 0.900000
Total energy: -1407.603844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1407.603844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1407.603844 (E_RNA)
where:
Base-Base interactions energy: -994.078
where: short stacking energy: -412.210
Base-Backbone interact. energy: -0.661
local terms energy: -413.091326
where:
bonds (distance) C4'-P energy: -75.964
bonds (distance) P-C4' energy: -76.991
flat angles C4'-P-C4' energy: -87.354
flat angles P-C4'-P energy: -57.683
tors. eta vs tors. theta energy: -115.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.226 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 500
Temperature: 0.950000
Total energy: -1366.280652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1366.280652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1366.280652 (E_RNA)
where:
Base-Base interactions energy: -958.328
where: short stacking energy: -396.858
Base-Backbone interact. energy: -1.607
local terms energy: -406.345569
where:
bonds (distance) C4'-P energy: -68.245
bonds (distance) P-C4' energy: -74.747
flat angles C4'-P-C4' energy: -89.642
flat angles P-C4'-P energy: -51.109
tors. eta vs tors. theta energy: -122.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 500
Temperature: 1.000000
Total energy: -1323.611971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1323.611971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1323.611971 (E_RNA)
where:
Base-Base interactions energy: -941.678
where: short stacking energy: -390.726
Base-Backbone interact. energy: -3.538
local terms energy: -378.395624
where:
bonds (distance) C4'-P energy: -65.689
bonds (distance) P-C4' energy: -75.037
flat angles C4'-P-C4' energy: -82.296
flat angles P-C4'-P energy: -55.542
tors. eta vs tors. theta energy: -99.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 500
Temperature: 1.050000
Total energy: -1263.061554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1263.061554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1263.061554 (E_RNA)
where:
Base-Base interactions energy: -897.070
where: short stacking energy: -346.074
Base-Backbone interact. energy: -2.098
local terms energy: -363.894465
where:
bonds (distance) C4'-P energy: -62.328
bonds (distance) P-C4' energy: -65.306
flat angles C4'-P-C4' energy: -81.431
flat angles P-C4'-P energy: -54.109
tors. eta vs tors. theta energy: -100.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 500
Temperature: 1.100000
Total energy: -1131.699764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1131.699764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1131.699764 (E_RNA)
where:
Base-Base interactions energy: -767.513
where: short stacking energy: -352.324
Base-Backbone interact. energy: -1.017
local terms energy: -363.169527
where:
bonds (distance) C4'-P energy: -62.899
bonds (distance) P-C4' energy: -68.580
flat angles C4'-P-C4' energy: -78.296
flat angles P-C4'-P energy: -60.301
tors. eta vs tors. theta energy: -93.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 500
Temperature: 1.150000
Total energy: -1059.342810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1059.342810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1059.342810 (E_RNA)
where:
Base-Base interactions energy: -717.429
where: short stacking energy: -309.803
Base-Backbone interact. energy: -0.678
local terms energy: -341.235476
where:
bonds (distance) C4'-P energy: -66.617
bonds (distance) P-C4' energy: -68.260
flat angles C4'-P-C4' energy: -70.499
flat angles P-C4'-P energy: -47.170
tors. eta vs tors. theta energy: -88.690
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: 7, replica: 2
=====================================
Write number: 500
Temperature: 1.200000
Total energy: -932.174750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -932.174750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -932.174750 (E_RNA)
where:
Base-Base interactions energy: -603.061
where: short stacking energy: -294.550
Base-Backbone interact. energy: -1.046
local terms energy: -328.308516
where:
bonds (distance) C4'-P energy: -67.398
bonds (distance) P-C4' energy: -76.915
flat angles C4'-P-C4' energy: -75.995
flat angles P-C4'-P energy: -37.553
tors. eta vs tors. theta energy: -70.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.241 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 500
Temperature: 1.250000
Total energy: -758.455182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -758.455182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -758.455182 (E_RNA)
where:
Base-Base interactions energy: -473.516
where: short stacking energy: -230.693
Base-Backbone interact. energy: -1.085
local terms energy: -283.853804
where:
bonds (distance) C4'-P energy: -56.355
bonds (distance) P-C4' energy: -69.433
flat angles C4'-P-C4' energy: -64.147
flat angles P-C4'-P energy: -38.224
tors. eta vs tors. theta energy: -55.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 500
Temperature: 1.300000
Total energy: -753.405112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -753.405112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -753.405112 (E_RNA)
where:
Base-Base interactions energy: -493.285
where: short stacking energy: -218.163
Base-Backbone interact. energy: 2.310
local terms energy: -263.840357
where:
bonds (distance) C4'-P energy: -57.912
bonds (distance) P-C4' energy: -59.047
flat angles C4'-P-C4' energy: -58.556
flat angles P-C4'-P energy: -44.206
tors. eta vs tors. theta energy: -44.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.411 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 500
Temperature: 1.350000
Total energy: -381.174710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.174710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.174710 (E_RNA)
where:
Base-Base interactions energy: -177.991
where: short stacking energy: -115.026
Base-Backbone interact. energy: -0.685
local terms energy: -202.498100
where:
bonds (distance) C4'-P energy: -56.339
bonds (distance) P-C4' energy: -70.428
flat angles C4'-P-C4' energy: -53.109
flat angles P-C4'-P energy: -30.640
tors. eta vs tors. theta energy: 8.019
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)