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/I00-UT01-d2a773c1/inputs/seq.fa first_line: R R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/I00-UT01-d2a773c1/inputs/seq.fa: 2
curr_seq: _GCGGGGCCAAAAGCCACGUCUCUGACCCGUCGU_
curr_seq: _UCCCUCAGAGAUCACGAUUGGCAGACUUUGAGGCGCGCGACGCCGCUGGAGUGAAAAGCUCGAAAGAGCUUUUCCCGCUUCCUAAUUC_
chainIds_rna: _AB_, chainIds_protein: __
chainId: A, chainSeq: GCGGGGCCAAAAGCCACGUCUCUGACCCGUCGU
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 33 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: 615
n_atoms_counter: 615
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
void RNAStructure::setLimitingSphereRadius(double limitingSphereRadius):
limiting sphere radius value: 121.000000 was provided by the user
EntireStructure::rnaStruct limitingSphereRadius : 121.000000 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/I00-UT01-d2a773c1/inputs/seq.fa first_line: R R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/I00-UT01-d2a773c1/inputs/seq.fa: 2
curr_seq: _GCGGGGCCAAAAGCCACGUCUCUGACCCGUCGU_
curr_seq: _UCCCUCAGAGAUCACGAUUGGCAGACUUUGAGGCGCGCGACGCCGCUGGAGUGAAAAGCUCGAAAGAGCUUUUCCCGCUUCCUAAUUC_
chainIds_rna: _AB_, chainIds_protein: __
chainId: A, chainSeq: GCGGGGCCAAAAGCCACGUCUCUGACCCGUCGU
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 33 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: 615
n_atoms_counter: 615
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
void RNAStructure::setLimitingSphereRadius(double limitingSphereRadius):
limiting sphere radius value: 121.000000 was provided by the user
EntireStructure::rnaStruct limitingSphereRadius : 121.000000 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/I00-UT01-d2a773c1/inputs/seq.fa first_line: R R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/I00-UT01-d2a773c1/inputs/seq.fa: 2
curr_seq: _GCGGGGCCAAAAGCCACGUCUCUGACCCGUCGU_
curr_seq: _UCCCUCAGAGAUCACGAUUGGCAGACUUUGAGGCGCGCGACGCCGCUGGAGUGAAAAGCUCGAAAGAGCUUUUCCCGCUUCCUAAUUC_
chainIds_rna: _AB_, chainIds_protein: __
chainId: A, chainSeq: GCGGGGCCAAAAGCCACGUCUCUGACCCGUCGU
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 33 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: 615
n_atoms_counter: 615
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
void RNAStructure::setLimitingSphereRadius(double limitingSphereRadius):
limiting sphere radius value: 121.000000 was provided by the user
EntireStructure::rnaStruct limitingSphereRadius : 121.000000 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/I00-UT01-d2a773c1/inputs/seq.fa first_line: R R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/I00-UT01-d2a773c1/inputs/seq.fa: 2
curr_seq: _GCGGGGCCAAAAGCCACGUCUCUGACCCGUCGU_
curr_seq: _UCCCUCAGAGAUCACGAUUGGCAGACUUUGAGGCGCGCGACGCCGCUGGAGUGAAAAGCUCGAAAGAGCUUUUCCCGCUUCCUAAUUC_
chainIds_rna: _AB_, chainIds_protein: __
chainId: A, chainSeq: GCGGGGCCAAAAGCCACGUCUCUGACCCGUCGU
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 33 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: 615
n_atoms_counter: 615
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
void RNAStructure::setLimitingSphereRadius(double limitingSphereRadius):
limiting sphere radius value: 121.000000 was provided by the user
EntireStructure::rnaStruct limitingSphereRadius : 121.000000 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/I00-UT01-d2a773c1/inputs/seq.fa first_line: R R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/I00-UT01-d2a773c1/inputs/seq.fa: 2
curr_seq: _GCGGGGCCAAAAGCCACGUCUCUGACCCGUCGU_
curr_seq: _UCCCUCAGAGAUCACGAUUGGCAGACUUUGAGGCGCGCGACGCCGCUGGAGUGAAAAGCUCGAAAGAGCUUUUCCCGCUUCCUAAUUC_
chainIds_rna: _AB_, chainIds_protein: __
chainId: A, chainSeq: GCGGGGCCAAAAGCCACGUCUCUGACCCGUCGU
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 33 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: 615
n_atoms_counter: 615
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
void RNAStructure::setLimitingSphereRadius(double limitingSphereRadius):
limiting sphere radius value: 121.000000 was provided by the user
EntireStructure::rnaStruct limitingSphereRadius : 121.000000 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/I00-UT01-d2a773c1/inputs/seq.fa first_line: R R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/I00-UT01-d2a773c1/inputs/seq.fa: 2
curr_seq: _GCGGGGCCAAAAGCCACGUCUCUGACCCGUCGU_
curr_seq: _UCCCUCAGAGAUCACGAUUGGCAGACUUUGAGGCGCGCGACGCCGCUGGAGUGAAAAGCUCGAAAGAGCUUUUCCCGCUUCCUAAUUC_
chainIds_rna: _AB_, chainIds_protein: __
chainId: A, chainSeq: GCGGGGCCAAAAGCCACGUCUCUGACCCGUCGU
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 33 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: 615
n_atoms_counter: 615
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
void RNAStructure::setLimitingSphereRadius(double limitingSphereRadius):
limiting sphere radius value: 121.000000 was provided by the user
EntireStructure::rnaStruct limitingSphereRadius : 121.000000 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/I00-UT01-d2a773c1/inputs/seq.fa first_line: R R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/I00-UT01-d2a773c1/inputs/seq.fa: 2
curr_seq: _GCGGGGCCAAAAGCCACGUCUCUGACCCGUCGU_
curr_seq: _UCCCUCAGAGAUCACGAUUGGCAGACUUUGAGGCGCGCGACGCCGCUGGAGUGAAAAGCUCGAAAGAGCUUUUCCCGCUUCCUAAUUC_
chainIds_rna: _AB_, chainIds_protein: __
chainId: A, chainSeq: GCGGGGCCAAAAGCCACGUCUCUGACCCGUCGU
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 33 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: 615
n_atoms_counter: 615
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
void RNAStructure::setLimitingSphereRadius(double limitingSphereRadius):
limiting sphere radius value: 121.000000 was provided by the user
EntireStructure::rnaStruct limitingSphereRadius : 121.000000 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/I00-UT01-d2a773c1/inputs/seq.fa first_line: R R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/I00-UT01-d2a773c1/inputs/seq.fa: 2
curr_seq: _GCGGGGCCAAAAGCCACGUCUCUGACCCGUCGU_
curr_seq: _UCCCUCAGAGAUCACGAUUGGCAGACUUUGAGGCGCGCGACGCCGCUGGAGUGAAAAGCUCGAAAGAGCUUUUCCCGCUUCCUAAUUC_
chainIds_rna: _AB_, chainIds_protein: __
chainId: A, chainSeq: GCGGGGCCAAAAGCCACGUCUCUGACCCGUCGU
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 33 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: 615
n_atoms_counter: 615
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
void RNAStructure::setLimitingSphereRadius(double limitingSphereRadius):
limiting sphere radius value: 121.000000 was provided by the user
EntireStructure::rnaStruct limitingSphereRadius : 121.000000 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/I00-UT01-d2a773c1/inputs/seq.fa first_line: R R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/I00-UT01-d2a773c1/inputs/seq.fa: 2
curr_seq: _GCGGGGCCAAAAGCCACGUCUCUGACCCGUCGU_
curr_seq: _UCCCUCAGAGAUCACGAUUGGCAGACUUUGAGGCGCGCGACGCCGCUGGAGUGAAAAGCUCGAAAGAGCUUUUCCCGCUUCCUAAUUC_
chainIds_rna: _AB_, chainIds_protein: __
chainId: A, chainSeq: GCGGGGCCAAAAGCCACGUCUCUGACCCGUCGU
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 33 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: 615
n_atoms_counter: 615
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
void RNAStructure::setLimitingSphereRadius(double limitingSphereRadius):
limiting sphere radius value: 121.000000 was provided by the user
EntireStructure::rnaStruct limitingSphereRadius : 121.000000 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/I00-UT01-d2a773c1/inputs/seq.fa first_line: R R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/I00-UT01-d2a773c1/inputs/seq.fa: 2
curr_seq: _GCGGGGCCAAAAGCCACGUCUCUGACCCGUCGU_
curr_seq: _UCCCUCAGAGAUCACGAUUGGCAGACUUUGAGGCGCGCGACGCCGCUGGAGUGAAAAGCUCGAAAGAGCUUUUCCCGCUUCCUAAUUC_
chainIds_rna: _AB_, chainIds_protein: __
chainId: A, chainSeq: GCGGGGCCAAAAGCCACGUCUCUGACCCGUCGU
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 33 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: 615
n_atoms_counter: 615
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
void RNAStructure::setLimitingSphereRadius(double limitingSphereRadius):
limiting sphere radius value: 121.000000 was provided by the user
EntireStructure::rnaStruct limitingSphereRadius : 121.000000 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: -473.180509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.180509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.180509 (E_RNA)
where:
Base-Base interactions energy: -1.599
where: short stacking energy: -1.599
Base-Backbone interact. energy: -0.000
local terms energy: -471.581672
where:
bonds (distance) C4'-P energy: -117.561
bonds (distance) P-C4' energy: -110.042
flat angles C4'-P-C4' energy: -88.841
flat angles P-C4'-P energy: -101.625
tors. eta vs tors. theta energy: -53.512
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: 2, replica: 2
=====================================
Write number: 1
Temperature: 0.950000
Total energy: -473.180509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.180509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.180509 (E_RNA)
where:
Base-Base interactions energy: -1.599
where: short stacking energy: -1.599
Base-Backbone interact. energy: -0.000
local terms energy: -471.581672
where:
bonds (distance) C4'-P energy: -117.561
bonds (distance) P-C4' energy: -110.042
flat angles C4'-P-C4' energy: -88.841
flat angles P-C4'-P energy: -101.625
tors. eta vs tors. theta energy: -53.512
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: 1
Temperature: 1.000000
Total energy: -473.180509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.180509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.180509 (E_RNA)
where:
Base-Base interactions energy: -1.599
where: short stacking energy: -1.599
Base-Backbone interact. energy: -0.000
local terms energy: -471.581672
where:
bonds (distance) C4'-P energy: -117.561
bonds (distance) P-C4' energy: -110.042
flat angles C4'-P-C4' energy: -88.841
flat angles P-C4'-P energy: -101.625
tors. eta vs tors. theta energy: -53.512
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: 4
=====================================
Write number: 1
Temperature: 1.050000
Total energy: -473.180509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.180509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.180509 (E_RNA)
where:
Base-Base interactions energy: -1.599
where: short stacking energy: -1.599
Base-Backbone interact. energy: -0.000
local terms energy: -471.581672
where:
bonds (distance) C4'-P energy: -117.561
bonds (distance) P-C4' energy: -110.042
flat angles C4'-P-C4' energy: -88.841
flat angles P-C4'-P energy: -101.625
tors. eta vs tors. theta energy: -53.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 1
Temperature: 1.100000
Total energy: -473.180509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.180509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.180509 (E_RNA)
where:
Base-Base interactions energy: -1.599
where: short stacking energy: -1.599
Base-Backbone interact. energy: -0.000
local terms energy: -471.581672
where:
bonds (distance) C4'-P energy: -117.561
bonds (distance) P-C4' energy: -110.042
flat angles C4'-P-C4' energy: -88.841
flat angles P-C4'-P energy: -101.625
tors. eta vs tors. theta energy: -53.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 1
Temperature: 1.150000
Total energy: -473.180509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.180509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.180509 (E_RNA)
where:
Base-Base interactions energy: -1.599
where: short stacking energy: -1.599
Base-Backbone interact. energy: -0.000
local terms energy: -471.581672
where:
bonds (distance) C4'-P energy: -117.561
bonds (distance) P-C4' energy: -110.042
flat angles C4'-P-C4' energy: -88.841
flat angles P-C4'-P energy: -101.625
tors. eta vs tors. theta energy: -53.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 1
Temperature: 1.200000
Total energy: -473.180509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.180509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.180509 (E_RNA)
where:
Base-Base interactions energy: -1.599
where: short stacking energy: -1.599
Base-Backbone interact. energy: -0.000
local terms energy: -471.581672
where:
bonds (distance) C4'-P energy: -117.561
bonds (distance) P-C4' energy: -110.042
flat angles C4'-P-C4' energy: -88.841
flat angles P-C4'-P energy: -101.625
tors. eta vs tors. theta energy: -53.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 1
Temperature: 1.250000
Total energy: -473.180509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.180509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.180509 (E_RNA)
where:
Base-Base interactions energy: -1.599
where: short stacking energy: -1.599
Base-Backbone interact. energy: -0.000
local terms energy: -471.581672
where:
bonds (distance) C4'-P energy: -117.561
bonds (distance) P-C4' energy: -110.042
flat angles C4'-P-C4' energy: -88.841
flat angles P-C4'-P energy: -101.625
tors. eta vs tors. theta energy: -53.512
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: 9
=====================================
Write number: 1
Temperature: 1.300000
Total energy: -473.180509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.180509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.180509 (E_RNA)
where:
Base-Base interactions energy: -1.599
where: short stacking energy: -1.599
Base-Backbone interact. energy: -0.000
local terms energy: -471.581672
where:
bonds (distance) C4'-P energy: -117.561
bonds (distance) P-C4' energy: -110.042
flat angles C4'-P-C4' energy: -88.841
flat angles P-C4'-P energy: -101.625
tors. eta vs tors. theta energy: -53.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 1
Temperature: 1.350000
Total energy: -473.180509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.180509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.180509 (E_RNA)
where:
Base-Base interactions energy: -1.599
where: short stacking energy: -1.599
Base-Backbone interact. energy: -0.000
local terms energy: -471.581672
where:
bonds (distance) C4'-P energy: -117.561
bonds (distance) P-C4' energy: -110.042
flat angles C4'-P-C4' energy: -88.841
flat angles P-C4'-P energy: -101.625
tors. eta vs tors. theta energy: -53.512
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: 1
=====================================
Write number: 2
Temperature: 0.900000
Total energy: -637.903407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -637.903407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -637.903407 (E_RNA)
where:
Base-Base interactions energy: -282.521
where: short stacking energy: -282.383
Base-Backbone interact. energy: -0.238
local terms energy: -355.144752
where:
bonds (distance) C4'-P energy: -74.463
bonds (distance) P-C4' energy: -73.795
flat angles C4'-P-C4' energy: -79.104
flat angles P-C4'-P energy: -53.268
tors. eta vs tors. theta energy: -74.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 2
Temperature: 0.950000
Total energy: -594.553921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -594.553921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -594.553921 (E_RNA)
where:
Base-Base interactions energy: -232.236
where: short stacking energy: -228.668
Base-Backbone interact. energy: -0.042
local terms energy: -363.287779
where:
bonds (distance) C4'-P energy: -82.752
bonds (distance) P-C4' energy: -86.789
flat angles C4'-P-C4' energy: -79.086
flat angles P-C4'-P energy: -54.700
tors. eta vs tors. theta energy: -59.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.012 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 2
Temperature: 1.000000
Total energy: -555.028238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.028238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.028238 (E_RNA)
where:
Base-Base interactions energy: -225.885
where: short stacking energy: -226.385
Base-Backbone interact. energy: -0.234
local terms energy: -328.909589
where:
bonds (distance) C4'-P energy: -73.867
bonds (distance) P-C4' energy: -85.190
flat angles C4'-P-C4' energy: -81.981
flat angles P-C4'-P energy: -40.661
tors. eta vs tors. theta energy: -47.211
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: 4, replica: 4
=====================================
Write number: 2
Temperature: 1.050000
Total energy: -512.702185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.702185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.702185 (E_RNA)
where:
Base-Base interactions energy: -213.452
where: short stacking energy: -194.992
Base-Backbone interact. energy: 1.981
local terms energy: -301.230552
where:
bonds (distance) C4'-P energy: -71.590
bonds (distance) P-C4' energy: -79.849
flat angles C4'-P-C4' energy: -68.595
flat angles P-C4'-P energy: -44.052
tors. eta vs tors. theta energy: -37.145
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: 5
=====================================
Write number: 2
Temperature: 1.100000
Total energy: -491.531879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.531879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.531879 (E_RNA)
where:
Base-Base interactions energy: -64.215
where: short stacking energy: -64.215
Base-Backbone interact. energy: -0.000
local terms energy: -427.317088
where:
bonds (distance) C4'-P energy: -97.777
bonds (distance) P-C4' energy: -89.517
flat angles C4'-P-C4' energy: -86.407
flat angles P-C4'-P energy: -96.180
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: 6, replica: 6
=====================================
Write number: 2
Temperature: 1.150000
Total energy: -474.301194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.301194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.301194 (E_RNA)
where:
Base-Base interactions energy: -3.586
where: short stacking energy: -3.586
Base-Backbone interact. energy: -0.000
local terms energy: -470.714962
where:
bonds (distance) C4'-P energy: -117.445
bonds (distance) P-C4' energy: -110.029
flat angles C4'-P-C4' energy: -88.061
flat angles P-C4'-P energy: -101.372
tors. eta vs tors. theta energy: -53.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 2
Temperature: 1.200000
Total energy: -481.864464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.864464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.864464 (E_RNA)
where:
Base-Base interactions energy: -54.846
where: short stacking energy: -54.846
Base-Backbone interact. energy: -0.000
local terms energy: -427.018110
where:
bonds (distance) C4'-P energy: -96.576
bonds (distance) P-C4' energy: -86.630
flat angles C4'-P-C4' energy: -89.328
flat angles P-C4'-P energy: -95.622
tors. eta vs tors. theta energy: -58.862
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: 2
Temperature: 1.250000
Total energy: -479.683301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.683301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.683301 (E_RNA)
where:
Base-Base interactions energy: -13.604
where: short stacking energy: -13.604
Base-Backbone interact. energy: -0.000
local terms energy: -466.079150
where:
bonds (distance) C4'-P energy: -116.688
bonds (distance) P-C4' energy: -106.834
flat angles C4'-P-C4' energy: -87.520
flat angles P-C4'-P energy: -100.649
tors. eta vs tors. theta energy: -54.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 2
Temperature: 1.300000
Total energy: -480.831725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.831725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.831725 (E_RNA)
where:
Base-Base interactions energy: -17.606
where: short stacking energy: -17.606
Base-Backbone interact. energy: -0.000
local terms energy: -463.225829
where:
bonds (distance) C4'-P energy: -115.143
bonds (distance) P-C4' energy: -106.052
flat angles C4'-P-C4' energy: -87.465
flat angles P-C4'-P energy: -100.402
tors. eta vs tors. theta energy: -54.164
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: 10
=====================================
Write number: 2
Temperature: 1.350000
Total energy: -480.321337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.321337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.321337 (E_RNA)
where:
Base-Base interactions energy: -17.611
where: short stacking energy: -17.611
Base-Backbone interact. energy: -0.000
local terms energy: -462.710643
where:
bonds (distance) C4'-P energy: -115.143
bonds (distance) P-C4' energy: -106.052
flat angles C4'-P-C4' energy: -87.305
flat angles P-C4'-P energy: -100.267
tors. eta vs tors. theta energy: -53.944
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: 1
=====================================
Write number: 3
Temperature: 0.900000
Total energy: -632.403846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -632.403846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -632.403846 (E_RNA)
where:
Base-Base interactions energy: -281.092
where: short stacking energy: -263.173
Base-Backbone interact. energy: -1.532
local terms energy: -349.780101
where:
bonds (distance) C4'-P energy: -71.126
bonds (distance) P-C4' energy: -84.730
flat angles C4'-P-C4' energy: -79.213
flat angles P-C4'-P energy: -50.283
tors. eta vs tors. theta energy: -64.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 3
Temperature: 0.950000
Total energy: -634.115909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -634.115909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -634.115909 (E_RNA)
where:
Base-Base interactions energy: -323.847
where: short stacking energy: -224.400
Base-Backbone interact. energy: 0.511
local terms energy: -310.779291
where:
bonds (distance) C4'-P energy: -76.772
bonds (distance) P-C4' energy: -66.069
flat angles C4'-P-C4' energy: -79.648
flat angles P-C4'-P energy: -42.310
tors. eta vs tors. theta energy: -45.979
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: 3
Temperature: 1.000000
Total energy: -539.205013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.205013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.205013 (E_RNA)
where:
Base-Base interactions energy: -216.102
where: short stacking energy: -193.420
Base-Backbone interact. energy: -0.603
local terms energy: -322.499530
where:
bonds (distance) C4'-P energy: -82.674
bonds (distance) P-C4' energy: -72.580
flat angles C4'-P-C4' energy: -78.020
flat angles P-C4'-P energy: -45.127
tors. eta vs tors. theta energy: -44.098
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: 4
=====================================
Write number: 3
Temperature: 1.050000
Total energy: -582.951949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -582.951949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -582.951949 (E_RNA)
where:
Base-Base interactions energy: -270.342
where: short stacking energy: -204.780
Base-Backbone interact. energy: -0.317
local terms energy: -312.293270
where:
bonds (distance) C4'-P energy: -77.445
bonds (distance) P-C4' energy: -77.458
flat angles C4'-P-C4' energy: -63.399
flat angles P-C4'-P energy: -48.292
tors. eta vs tors. theta energy: -45.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 3
Temperature: 1.100000
Total energy: -490.138904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.138904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.138904 (E_RNA)
where:
Base-Base interactions energy: -198.119
where: short stacking energy: -168.309
Base-Backbone interact. energy: 0.357
local terms energy: -292.376538
where:
bonds (distance) C4'-P energy: -63.439
bonds (distance) P-C4' energy: -85.393
flat angles C4'-P-C4' energy: -69.297
flat angles P-C4'-P energy: -43.921
tors. eta vs tors. theta energy: -30.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 3
Temperature: 1.150000
Total energy: -459.435325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.435325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.435325 (E_RNA)
where:
Base-Base interactions energy: -219.481
where: short stacking energy: -178.236
Base-Backbone interact. energy: -0.924
local terms energy: -239.029388
where:
bonds (distance) C4'-P energy: -58.033
bonds (distance) P-C4' energy: -72.481
flat angles C4'-P-C4' energy: -56.714
flat angles P-C4'-P energy: -19.254
tors. eta vs tors. theta energy: -32.547
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: 6
=====================================
Write number: 3
Temperature: 1.200000
Total energy: -399.243358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.243358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.243358 (E_RNA)
where:
Base-Base interactions energy: -158.753
where: short stacking energy: -158.832
Base-Backbone interact. energy: -1.200
local terms energy: -239.290504
where:
bonds (distance) C4'-P energy: -64.894
bonds (distance) P-C4' energy: -67.512
flat angles C4'-P-C4' energy: -51.843
flat angles P-C4'-P energy: -38.194
tors. eta vs tors. theta energy: -16.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 3
Temperature: 1.250000
Total energy: -354.544704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.544704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.544704 (E_RNA)
where:
Base-Base interactions energy: -127.734
where: short stacking energy: -100.997
Base-Backbone interact. energy: -1.159
local terms energy: -225.651203
where:
bonds (distance) C4'-P energy: -65.515
bonds (distance) P-C4' energy: -71.634
flat angles C4'-P-C4' energy: -49.083
flat angles P-C4'-P energy: -36.532
tors. eta vs tors. theta energy: -2.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 3
Temperature: 1.300000
Total energy: -361.495582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.495582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.495582 (E_RNA)
where:
Base-Base interactions energy: -126.829
where: short stacking energy: -108.539
Base-Backbone interact. energy: -0.741
local terms energy: -233.925574
where:
bonds (distance) C4'-P energy: -54.652
bonds (distance) P-C4' energy: -62.662
flat angles C4'-P-C4' energy: -61.774
flat angles P-C4'-P energy: -49.358
tors. eta vs tors. theta energy: -5.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 3
Temperature: 1.350000
Total energy: -369.040652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.040652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.040652 (E_RNA)
where:
Base-Base interactions energy: -178.510
where: short stacking energy: -94.455
Base-Backbone interact. energy: 0.400
local terms energy: -190.931436
where:
bonds (distance) C4'-P energy: -57.264
bonds (distance) P-C4' energy: -71.851
flat angles C4'-P-C4' energy: -54.036
flat angles P-C4'-P energy: -18.079
tors. eta vs tors. theta energy: 10.298
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: 1, replica: 1
=====================================
Write number: 4
Temperature: 0.900000
Total energy: -669.424588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -669.424588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -669.424588 (E_RNA)
where:
Base-Base interactions energy: -306.580
where: short stacking energy: -284.551
Base-Backbone interact. energy: -0.637
local terms energy: -362.207797
where:
bonds (distance) C4'-P energy: -73.301
bonds (distance) P-C4' energy: -75.227
flat angles C4'-P-C4' energy: -81.436
flat angles P-C4'-P energy: -61.835
tors. eta vs tors. theta energy: -70.409
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: 2, replica: 2
=====================================
Write number: 4
Temperature: 0.950000
Total energy: -695.894810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -695.894810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -695.894810 (E_RNA)
where:
Base-Base interactions energy: -359.958
where: short stacking energy: -255.227
Base-Backbone interact. energy: 0.011
local terms energy: -335.947876
where:
bonds (distance) C4'-P energy: -68.419
bonds (distance) P-C4' energy: -80.749
flat angles C4'-P-C4' energy: -77.916
flat angles P-C4'-P energy: -51.858
tors. eta vs tors. theta energy: -57.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 4
Temperature: 1.000000
Total energy: -679.965217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -679.965217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -679.965217 (E_RNA)
where:
Base-Base interactions energy: -354.102
where: short stacking energy: -249.688
Base-Backbone interact. energy: 0.052
local terms energy: -325.914448
where:
bonds (distance) C4'-P energy: -65.359
bonds (distance) P-C4' energy: -73.815
flat angles C4'-P-C4' energy: -86.887
flat angles P-C4'-P energy: -38.342
tors. eta vs tors. theta energy: -61.510
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: 3
=====================================
Write number: 4
Temperature: 1.050000
Total energy: -512.219987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.219987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.219987 (E_RNA)
where:
Base-Base interactions energy: -225.371
where: short stacking energy: -175.391
Base-Backbone interact. energy: -1.195
local terms energy: -285.653752
where:
bonds (distance) C4'-P energy: -74.801
bonds (distance) P-C4' energy: -85.094
flat angles C4'-P-C4' energy: -71.783
flat angles P-C4'-P energy: -36.431
tors. eta vs tors. theta energy: -17.544
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: 5
=====================================
Write number: 4
Temperature: 1.100000
Total energy: -512.599045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.599045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.599045 (E_RNA)
where:
Base-Base interactions energy: -213.211
where: short stacking energy: -179.546
Base-Backbone interact. energy: -0.743
local terms energy: -298.645486
where:
bonds (distance) C4'-P energy: -71.912
bonds (distance) P-C4' energy: -76.324
flat angles C4'-P-C4' energy: -69.011
flat angles P-C4'-P energy: -46.909
tors. eta vs tors. theta energy: -34.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 4
Temperature: 1.150000
Total energy: -511.547239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.547239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.547239 (E_RNA)
where:
Base-Base interactions energy: -245.150
where: short stacking energy: -176.904
Base-Backbone interact. energy: -2.481
local terms energy: -263.917024
where:
bonds (distance) C4'-P energy: -59.422
bonds (distance) P-C4' energy: -60.000
flat angles C4'-P-C4' energy: -62.323
flat angles P-C4'-P energy: -49.642
tors. eta vs tors. theta energy: -32.529
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: 7, replica: 6
=====================================
Write number: 4
Temperature: 1.200000
Total energy: -431.199705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.199705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.199705 (E_RNA)
where:
Base-Base interactions energy: -180.415
where: short stacking energy: -124.676
Base-Backbone interact. energy: 4.511
local terms energy: -255.295707
where:
bonds (distance) C4'-P energy: -69.622
bonds (distance) P-C4' energy: -68.786
flat angles C4'-P-C4' energy: -62.401
flat angles P-C4'-P energy: -45.629
tors. eta vs tors. theta energy: -8.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 4
Temperature: 1.250000
Total energy: -398.995796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.995796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.995796 (E_RNA)
where:
Base-Base interactions energy: -173.758
where: short stacking energy: -130.353
Base-Backbone interact. energy: 3.402
local terms energy: -228.639364
where:
bonds (distance) C4'-P energy: -63.858
bonds (distance) P-C4' energy: -66.271
flat angles C4'-P-C4' energy: -58.394
flat angles P-C4'-P energy: -37.333
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: 9, replica: 10
=====================================
Write number: 4
Temperature: 1.300000
Total energy: -438.957746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.957746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.957746 (E_RNA)
where:
Base-Base interactions energy: -187.478
where: short stacking energy: -139.859
Base-Backbone interact. energy: 0.327
local terms energy: -251.806734
where:
bonds (distance) C4'-P energy: -55.025
bonds (distance) P-C4' energy: -63.638
flat angles C4'-P-C4' energy: -66.086
flat angles P-C4'-P energy: -41.773
tors. eta vs tors. theta energy: -25.284
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: 8
=====================================
Write number: 4
Temperature: 1.350000
Total energy: -294.634529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.634529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.634529 (E_RNA)
where:
Base-Base interactions energy: -102.434
where: short stacking energy: -82.752
Base-Backbone interact. energy: 0.265
local terms energy: -192.465985
where:
bonds (distance) C4'-P energy: -59.268
bonds (distance) P-C4' energy: -66.567
flat angles C4'-P-C4' energy: -62.322
flat angles P-C4'-P energy: -18.538
tors. eta vs tors. theta energy: 14.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 5
Temperature: 0.900000
Total energy: -705.011965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -705.011965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -705.011965 (E_RNA)
where:
Base-Base interactions energy: -334.980
where: short stacking energy: -298.171
Base-Backbone interact. energy: 0.181
local terms energy: -370.212542
where:
bonds (distance) C4'-P energy: -78.769
bonds (distance) P-C4' energy: -81.429
flat angles C4'-P-C4' energy: -74.234
flat angles P-C4'-P energy: -61.401
tors. eta vs tors. theta energy: -74.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 5
Temperature: 0.950000
Total energy: -734.886552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -734.886552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -734.886552 (E_RNA)
where:
Base-Base interactions energy: -425.881
where: short stacking energy: -256.571
Base-Backbone interact. energy: -1.303
local terms energy: -307.702871
where:
bonds (distance) C4'-P energy: -68.691
bonds (distance) P-C4' energy: -73.962
flat angles C4'-P-C4' energy: -71.687
flat angles P-C4'-P energy: -49.949
tors. eta vs tors. theta energy: -43.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 5
Temperature: 1.000000
Total energy: -710.072860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -710.072860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -710.072860 (E_RNA)
where:
Base-Base interactions energy: -379.264
where: short stacking energy: -226.743
Base-Backbone interact. energy: -0.025
local terms energy: -330.783137
where:
bonds (distance) C4'-P energy: -70.942
bonds (distance) P-C4' energy: -80.771
flat angles C4'-P-C4' energy: -82.572
flat angles P-C4'-P energy: -49.275
tors. eta vs tors. theta energy: -47.223
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: 3
=====================================
Write number: 5
Temperature: 1.050000
Total energy: -612.118860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -612.118860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -612.118860 (E_RNA)
where:
Base-Base interactions energy: -295.732
where: short stacking energy: -210.575
Base-Backbone interact. energy: -0.992
local terms energy: -315.394238
where:
bonds (distance) C4'-P energy: -75.685
bonds (distance) P-C4' energy: -81.594
flat angles C4'-P-C4' energy: -70.475
flat angles P-C4'-P energy: -45.402
tors. eta vs tors. theta energy: -42.238
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: 5
=====================================
Write number: 5
Temperature: 1.100000
Total energy: -476.420479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.420479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.420479 (E_RNA)
where:
Base-Base interactions energy: -213.793
where: short stacking energy: -158.213
Base-Backbone interact. energy: -1.272
local terms energy: -261.355017
where:
bonds (distance) C4'-P energy: -76.675
bonds (distance) P-C4' energy: -78.278
flat angles C4'-P-C4' energy: -54.586
flat angles P-C4'-P energy: -39.710
tors. eta vs tors. theta energy: -12.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 5
Temperature: 1.150000
Total energy: -475.661307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.661307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.661307 (E_RNA)
where:
Base-Base interactions energy: -220.335
where: short stacking energy: -165.110
Base-Backbone interact. energy: 2.136
local terms energy: -257.462472
where:
bonds (distance) C4'-P energy: -74.630
bonds (distance) P-C4' energy: -49.886
flat angles C4'-P-C4' energy: -75.719
flat angles P-C4'-P energy: -44.476
tors. eta vs tors. theta energy: -12.751
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: 7, replica: 7
=====================================
Write number: 5
Temperature: 1.200000
Total energy: -493.205796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.205796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.205796 (E_RNA)
where:
Base-Base interactions energy: -236.480
where: short stacking energy: -167.985
Base-Backbone interact. energy: -0.498
local terms energy: -256.228148
where:
bonds (distance) C4'-P energy: -58.492
bonds (distance) P-C4' energy: -74.344
flat angles C4'-P-C4' energy: -62.993
flat angles P-C4'-P energy: -44.276
tors. eta vs tors. theta energy: -16.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 5
Temperature: 1.250000
Total energy: -461.060109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.060109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.060109 (E_RNA)
where:
Base-Base interactions energy: -209.203
where: short stacking energy: -160.445
Base-Backbone interact. energy: 1.200
local terms energy: -253.056704
where:
bonds (distance) C4'-P energy: -64.390
bonds (distance) P-C4' energy: -71.129
flat angles C4'-P-C4' energy: -68.579
flat angles P-C4'-P energy: -37.367
tors. eta vs tors. theta energy: -11.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 5
Temperature: 1.300000
Total energy: -360.241077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.241077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.241077 (E_RNA)
where:
Base-Base interactions energy: -110.393
where: short stacking energy: -103.490
Base-Backbone interact. energy: -1.306
local terms energy: -248.541479
where:
bonds (distance) C4'-P energy: -56.765
bonds (distance) P-C4' energy: -85.826
flat angles C4'-P-C4' energy: -59.798
flat angles P-C4'-P energy: -42.738
tors. eta vs tors. theta energy: -3.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 5
Temperature: 1.350000
Total energy: -305.551142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.551142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.551142 (E_RNA)
where:
Base-Base interactions energy: -109.961
where: short stacking energy: -88.079
Base-Backbone interact. energy: -0.119
local terms energy: -195.471680
where:
bonds (distance) C4'-P energy: -57.979
bonds (distance) P-C4' energy: -70.377
flat angles C4'-P-C4' energy: -63.027
flat angles P-C4'-P energy: -23.930
tors. eta vs tors. theta energy: 19.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 6
Temperature: 0.900000
Total energy: -809.493345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -809.493345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -809.493345 (E_RNA)
where:
Base-Base interactions energy: -446.215
where: short stacking energy: -276.591
Base-Backbone interact. energy: -1.718
local terms energy: -361.561066
where:
bonds (distance) C4'-P energy: -90.095
bonds (distance) P-C4' energy: -76.076
flat angles C4'-P-C4' energy: -75.945
flat angles P-C4'-P energy: -45.364
tors. eta vs tors. theta energy: -74.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 6
Temperature: 0.950000
Total energy: -648.096865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -648.096865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -648.096865 (E_RNA)
where:
Base-Base interactions energy: -298.654
where: short stacking energy: -256.952
Base-Backbone interact. energy: -0.707
local terms energy: -348.736056
where:
bonds (distance) C4'-P energy: -81.070
bonds (distance) P-C4' energy: -83.894
flat angles C4'-P-C4' energy: -76.208
flat angles P-C4'-P energy: -40.631
tors. eta vs tors. theta energy: -66.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 6
Temperature: 1.000000
Total energy: -712.294564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -712.294564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -712.294564 (E_RNA)
where:
Base-Base interactions energy: -384.216
where: short stacking energy: -231.776
Base-Backbone interact. energy: -1.131
local terms energy: -327.113091
where:
bonds (distance) C4'-P energy: -76.484
bonds (distance) P-C4' energy: -74.871
flat angles C4'-P-C4' energy: -76.471
flat angles P-C4'-P energy: -47.250
tors. eta vs tors. theta energy: -52.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.166 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 6
Temperature: 1.050000
Total energy: -603.070357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -603.070357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -603.070357 (E_RNA)
where:
Base-Base interactions energy: -308.696
where: short stacking energy: -181.844
Base-Backbone interact. energy: -0.222
local terms energy: -294.152430
where:
bonds (distance) C4'-P energy: -77.297
bonds (distance) P-C4' energy: -73.067
flat angles C4'-P-C4' energy: -61.780
flat angles P-C4'-P energy: -52.066
tors. eta vs tors. theta energy: -29.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 6
Temperature: 1.100000
Total energy: -519.495670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.495670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.495670 (E_RNA)
where:
Base-Base interactions energy: -229.506
where: short stacking energy: -197.661
Base-Backbone interact. energy: -1.090
local terms energy: -288.899314
where:
bonds (distance) C4'-P energy: -71.249
bonds (distance) P-C4' energy: -70.877
flat angles C4'-P-C4' energy: -57.991
flat angles P-C4'-P energy: -45.372
tors. eta vs tors. theta energy: -43.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 6
Temperature: 1.150000
Total energy: -445.368879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -445.368879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -445.368879 (E_RNA)
where:
Base-Base interactions energy: -155.850
where: short stacking energy: -147.149
Base-Backbone interact. energy: -0.625
local terms energy: -288.893297
where:
bonds (distance) C4'-P energy: -69.323
bonds (distance) P-C4' energy: -75.118
flat angles C4'-P-C4' energy: -72.708
flat angles P-C4'-P energy: -42.410
tors. eta vs tors. theta energy: -29.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 6
Temperature: 1.200000
Total energy: -480.391414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.391414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.391414 (E_RNA)
where:
Base-Base interactions energy: -218.992
where: short stacking energy: -155.556
Base-Backbone interact. energy: 0.993
local terms energy: -262.392524
where:
bonds (distance) C4'-P energy: -81.568
bonds (distance) P-C4' energy: -65.292
flat angles C4'-P-C4' energy: -60.370
flat angles P-C4'-P energy: -41.580
tors. eta vs tors. theta energy: -13.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 6
Temperature: 1.250000
Total energy: -476.817083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.817083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.817083 (E_RNA)
where:
Base-Base interactions energy: -234.211
where: short stacking energy: -134.078
Base-Backbone interact. energy: -0.971
local terms energy: -241.634393
where:
bonds (distance) C4'-P energy: -60.892
bonds (distance) P-C4' energy: -70.982
flat angles C4'-P-C4' energy: -59.397
flat angles P-C4'-P energy: -31.455
tors. eta vs tors. theta energy: -18.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 6
Temperature: 1.300000
Total energy: -331.043177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.043177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.043177 (E_RNA)
where:
Base-Base interactions energy: -109.903
where: short stacking energy: -97.275
Base-Backbone interact. energy: 1.221
local terms energy: -222.450369
where:
bonds (distance) C4'-P energy: -68.243
bonds (distance) P-C4' energy: -69.197
flat angles C4'-P-C4' energy: -54.025
flat angles P-C4'-P energy: -38.722
tors. eta vs tors. theta energy: 7.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.089 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 6
Temperature: 1.350000
Total energy: -380.584877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.584877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.584877 (E_RNA)
where:
Base-Base interactions energy: -143.658
where: short stacking energy: -100.459
Base-Backbone interact. energy: -0.645
local terms energy: -236.281239
where:
bonds (distance) C4'-P energy: -59.876
bonds (distance) P-C4' energy: -66.269
flat angles C4'-P-C4' energy: -65.463
flat angles P-C4'-P energy: -42.413
tors. eta vs tors. theta energy: -2.261
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: 4
=====================================
Write number: 7
Temperature: 0.900000
Total energy: -899.278964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -899.278964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -899.278964 (E_RNA)
where:
Base-Base interactions energy: -501.490
where: short stacking energy: -314.685
Base-Backbone interact. energy: -1.343
local terms energy: -396.446032
where:
bonds (distance) C4'-P energy: -83.275
bonds (distance) P-C4' energy: -91.350
flat angles C4'-P-C4' energy: -84.022
flat angles P-C4'-P energy: -50.609
tors. eta vs tors. theta energy: -87.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 7
Temperature: 0.950000
Total energy: -840.082834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -840.082834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -840.082834 (E_RNA)
where:
Base-Base interactions energy: -507.532
where: short stacking energy: -260.903
Base-Backbone interact. energy: -0.512
local terms energy: -332.038815
where:
bonds (distance) C4'-P energy: -60.247
bonds (distance) P-C4' energy: -84.652
flat angles C4'-P-C4' energy: -82.865
flat angles P-C4'-P energy: -55.538
tors. eta vs tors. theta energy: -48.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 7
Temperature: 1.000000
Total energy: -649.334281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -649.334281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -649.334281 (E_RNA)
where:
Base-Base interactions energy: -318.735
where: short stacking energy: -257.812
Base-Backbone interact. energy: -0.636
local terms energy: -329.963347
where:
bonds (distance) C4'-P energy: -65.933
bonds (distance) P-C4' energy: -71.193
flat angles C4'-P-C4' energy: -79.509
flat angles P-C4'-P energy: -51.130
tors. eta vs tors. theta energy: -62.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 7
Temperature: 1.050000
Total energy: -594.451541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -594.451541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -594.451541 (E_RNA)
where:
Base-Base interactions energy: -309.024
where: short stacking energy: -177.181
Base-Backbone interact. energy: 1.076
local terms energy: -286.503505
where:
bonds (distance) C4'-P energy: -61.081
bonds (distance) P-C4' energy: -69.293
flat angles C4'-P-C4' energy: -68.829
flat angles P-C4'-P energy: -50.435
tors. eta vs tors. theta energy: -36.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 7
Temperature: 1.100000
Total energy: -546.946662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.946662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.946662 (E_RNA)
where:
Base-Base interactions energy: -257.222
where: short stacking energy: -152.717
Base-Backbone interact. energy: -1.488
local terms energy: -288.237091
where:
bonds (distance) C4'-P energy: -80.871
bonds (distance) P-C4' energy: -74.497
flat angles C4'-P-C4' energy: -64.825
flat angles P-C4'-P energy: -46.344
tors. eta vs tors. theta energy: -21.700
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: 7
=====================================
Write number: 7
Temperature: 1.150000
Total energy: -495.836690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.836690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.836690 (E_RNA)
where:
Base-Base interactions energy: -233.792
where: short stacking energy: -157.901
Base-Backbone interact. energy: -0.315
local terms energy: -261.729739
where:
bonds (distance) C4'-P energy: -82.839
bonds (distance) P-C4' energy: -56.525
flat angles C4'-P-C4' energy: -63.148
flat angles P-C4'-P energy: -39.816
tors. eta vs tors. theta energy: -19.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 7
Temperature: 1.200000
Total energy: -475.421780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.421780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.421780 (E_RNA)
where:
Base-Base interactions energy: -221.318
where: short stacking energy: -126.870
Base-Backbone interact. energy: -1.398
local terms energy: -252.705933
where:
bonds (distance) C4'-P energy: -80.228
bonds (distance) P-C4' energy: -67.130
flat angles C4'-P-C4' energy: -53.460
flat angles P-C4'-P energy: -44.976
tors. eta vs tors. theta energy: -6.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 7
Temperature: 1.250000
Total energy: -482.656685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.656685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.656685 (E_RNA)
where:
Base-Base interactions energy: -231.833
where: short stacking energy: -165.744
Base-Backbone interact. energy: 3.727
local terms energy: -254.551526
where:
bonds (distance) C4'-P energy: -67.639
bonds (distance) P-C4' energy: -67.500
flat angles C4'-P-C4' energy: -56.584
flat angles P-C4'-P energy: -35.557
tors. eta vs tors. theta energy: -27.272
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: 8
=====================================
Write number: 7
Temperature: 1.300000
Total energy: -338.914445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.914445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.914445 (E_RNA)
where:
Base-Base interactions energy: -132.898
where: short stacking energy: -114.375
Base-Backbone interact. energy: 0.932
local terms energy: -206.948504
where:
bonds (distance) C4'-P energy: -56.580
bonds (distance) P-C4' energy: -68.643
flat angles C4'-P-C4' energy: -57.614
flat angles P-C4'-P energy: -27.744
tors. eta vs tors. theta energy: 3.631
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: 9
=====================================
Write number: 7
Temperature: 1.350000
Total energy: -374.020986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.020986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.020986 (E_RNA)
where:
Base-Base interactions energy: -156.601
where: short stacking energy: -105.697
Base-Backbone interact. energy: -1.859
local terms energy: -215.560950
where:
bonds (distance) C4'-P energy: -62.631
bonds (distance) P-C4' energy: -61.491
flat angles C4'-P-C4' energy: -58.712
flat angles P-C4'-P energy: -35.437
tors. eta vs tors. theta energy: 2.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 8
Temperature: 0.900000
Total energy: -899.650256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -899.650256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -899.650256 (E_RNA)
where:
Base-Base interactions energy: -537.169
where: short stacking energy: -311.170
Base-Backbone interact. energy: -1.743
local terms energy: -360.737842
where:
bonds (distance) C4'-P energy: -74.370
bonds (distance) P-C4' energy: -68.947
flat angles C4'-P-C4' energy: -86.183
flat angles P-C4'-P energy: -46.781
tors. eta vs tors. theta energy: -84.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 8
Temperature: 0.950000
Total energy: -826.915857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -826.915857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -826.915857 (E_RNA)
where:
Base-Base interactions energy: -480.478
where: short stacking energy: -248.236
Base-Backbone interact. energy: -1.266
local terms energy: -345.171511
where:
bonds (distance) C4'-P energy: -83.127
bonds (distance) P-C4' energy: -77.470
flat angles C4'-P-C4' energy: -74.898
flat angles P-C4'-P energy: -56.661
tors. eta vs tors. theta energy: -53.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 8
Temperature: 1.000000
Total energy: -661.945926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -661.945926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -661.945926 (E_RNA)
where:
Base-Base interactions energy: -313.283
where: short stacking energy: -260.216
Base-Backbone interact. energy: 0.052
local terms energy: -348.715079
where:
bonds (distance) C4'-P energy: -76.435
bonds (distance) P-C4' energy: -72.512
flat angles C4'-P-C4' energy: -81.994
flat angles P-C4'-P energy: -51.532
tors. eta vs tors. theta energy: -66.241
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: 3
=====================================
Write number: 8
Temperature: 1.050000
Total energy: -708.415445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -708.415445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -708.415445 (E_RNA)
where:
Base-Base interactions energy: -404.103
where: short stacking energy: -250.728
Base-Backbone interact. energy: -2.149
local terms energy: -302.163845
where:
bonds (distance) C4'-P energy: -69.546
bonds (distance) P-C4' energy: -76.677
flat angles C4'-P-C4' energy: -59.813
flat angles P-C4'-P energy: -40.924
tors. eta vs tors. theta energy: -55.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 8
Temperature: 1.100000
Total energy: -667.861693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -667.861693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -667.861693 (E_RNA)
where:
Base-Base interactions energy: -365.415
where: short stacking energy: -201.671
Base-Backbone interact. energy: 0.559
local terms energy: -303.005848
where:
bonds (distance) C4'-P energy: -78.364
bonds (distance) P-C4' energy: -77.391
flat angles C4'-P-C4' energy: -68.368
flat angles P-C4'-P energy: -43.988
tors. eta vs tors. theta energy: -34.894
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: 7
=====================================
Write number: 8
Temperature: 1.150000
Total energy: -534.445238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.445238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.445238 (E_RNA)
where:
Base-Base interactions energy: -278.002
where: short stacking energy: -166.101
Base-Backbone interact. energy: 1.477
local terms energy: -257.977240
where:
bonds (distance) C4'-P energy: -59.128
bonds (distance) P-C4' energy: -65.713
flat angles C4'-P-C4' energy: -66.605
flat angles P-C4'-P energy: -50.288
tors. eta vs tors. theta energy: -16.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.057 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 8
Temperature: 1.200000
Total energy: -599.086994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -599.086994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -599.086994 (E_RNA)
where:
Base-Base interactions energy: -345.740
where: short stacking energy: -184.675
Base-Backbone interact. energy: 0.765
local terms energy: -254.111608
where:
bonds (distance) C4'-P energy: -63.140
bonds (distance) P-C4' energy: -73.881
flat angles C4'-P-C4' energy: -69.195
flat angles P-C4'-P energy: -24.809
tors. eta vs tors. theta energy: -23.086
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: 8, replica: 10
=====================================
Write number: 8
Temperature: 1.250000
Total energy: -463.015898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.015898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.015898 (E_RNA)
where:
Base-Base interactions energy: -223.957
where: short stacking energy: -141.871
Base-Backbone interact. energy: 2.199
local terms energy: -241.820354
where:
bonds (distance) C4'-P energy: -63.466
bonds (distance) P-C4' energy: -76.062
flat angles C4'-P-C4' energy: -49.607
flat angles P-C4'-P energy: -37.068
tors. eta vs tors. theta energy: -15.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.563 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 8
Temperature: 1.300000
Total energy: -331.379741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.379741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.379741 (E_RNA)
where:
Base-Base interactions energy: -119.235
where: short stacking energy: -92.827
Base-Backbone interact. energy: -1.492
local terms energy: -210.652854
where:
bonds (distance) C4'-P energy: -57.286
bonds (distance) P-C4' energy: -56.753
flat angles C4'-P-C4' energy: -70.538
flat angles P-C4'-P energy: -28.453
tors. eta vs tors. theta energy: 2.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 8
Temperature: 1.350000
Total energy: -298.875148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.875148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.875148 (E_RNA)
where:
Base-Base interactions energy: -104.771
where: short stacking energy: -86.717
Base-Backbone interact. energy: 0.680
local terms energy: -194.784202
where:
bonds (distance) C4'-P energy: -43.527
bonds (distance) P-C4' energy: -70.836
flat angles C4'-P-C4' energy: -59.469
flat angles P-C4'-P energy: -32.643
tors. eta vs tors. theta energy: 11.692
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: 4
=====================================
Write number: 9
Temperature: 0.900000
Total energy: -943.643964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -943.643964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -943.643964 (E_RNA)
where:
Base-Base interactions energy: -550.291
where: short stacking energy: -321.138
Base-Backbone interact. energy: 0.340
local terms energy: -393.692734
where:
bonds (distance) C4'-P energy: -76.137
bonds (distance) P-C4' energy: -85.197
flat angles C4'-P-C4' energy: -89.605
flat angles P-C4'-P energy: -54.256
tors. eta vs tors. theta energy: -88.497
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: 2, replica: 2
=====================================
Write number: 9
Temperature: 0.950000
Total energy: -918.888852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -918.888852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -918.888852 (E_RNA)
where:
Base-Base interactions energy: -576.354
where: short stacking energy: -282.711
Base-Backbone interact. energy: 0.642
local terms energy: -343.176478
where:
bonds (distance) C4'-P energy: -71.447
bonds (distance) P-C4' energy: -83.034
flat angles C4'-P-C4' energy: -74.555
flat angles P-C4'-P energy: -52.386
tors. eta vs tors. theta energy: -61.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 9
Temperature: 1.000000
Total energy: -661.538881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -661.538881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -661.538881 (E_RNA)
where:
Base-Base interactions energy: -328.079
where: short stacking energy: -250.885
Base-Backbone interact. energy: -0.251
local terms energy: -333.209197
where:
bonds (distance) C4'-P energy: -72.986
bonds (distance) P-C4' energy: -85.835
flat angles C4'-P-C4' energy: -75.203
flat angles P-C4'-P energy: -39.079
tors. eta vs tors. theta energy: -60.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 9
Temperature: 1.050000
Total energy: -701.187747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -701.187747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -701.187747 (E_RNA)
where:
Base-Base interactions energy: -399.511
where: short stacking energy: -201.799
Base-Backbone interact. energy: -1.391
local terms energy: -300.286010
where:
bonds (distance) C4'-P energy: -74.184
bonds (distance) P-C4' energy: -74.988
flat angles C4'-P-C4' energy: -60.479
flat angles P-C4'-P energy: -54.424
tors. eta vs tors. theta energy: -36.211
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: 6
=====================================
Write number: 9
Temperature: 1.100000
Total energy: -696.677360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -696.677360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -696.677360 (E_RNA)
where:
Base-Base interactions energy: -396.430
where: short stacking energy: -228.494
Base-Backbone interact. energy: 2.535
local terms energy: -302.782755
where:
bonds (distance) C4'-P energy: -57.483
bonds (distance) P-C4' energy: -64.574
flat angles C4'-P-C4' energy: -79.690
flat angles P-C4'-P energy: -56.342
tors. eta vs tors. theta energy: -44.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 9
Temperature: 1.150000
Total energy: -656.945155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -656.945155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -656.945155 (E_RNA)
where:
Base-Base interactions energy: -363.692
where: short stacking energy: -202.038
Base-Backbone interact. energy: -2.054
local terms energy: -291.199062
where:
bonds (distance) C4'-P energy: -73.901
bonds (distance) P-C4' energy: -74.398
flat angles C4'-P-C4' energy: -65.969
flat angles P-C4'-P energy: -32.980
tors. eta vs tors. theta energy: -43.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 9
Temperature: 1.200000
Total energy: -609.062148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -609.062148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -609.062148 (E_RNA)
where:
Base-Base interactions energy: -353.255
where: short stacking energy: -178.737
Base-Backbone interact. energy: 0.255
local terms energy: -256.061531
where:
bonds (distance) C4'-P energy: -61.728
bonds (distance) P-C4' energy: -81.667
flat angles C4'-P-C4' energy: -61.169
flat angles P-C4'-P energy: -20.363
tors. eta vs tors. theta energy: -31.134
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: 10
=====================================
Write number: 9
Temperature: 1.250000
Total energy: -462.906525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.906525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.906525 (E_RNA)
where:
Base-Base interactions energy: -221.690
where: short stacking energy: -164.569
Base-Backbone interact. energy: -0.646
local terms energy: -240.570548
where:
bonds (distance) C4'-P energy: -55.645
bonds (distance) P-C4' energy: -61.758
flat angles C4'-P-C4' energy: -67.515
flat angles P-C4'-P energy: -31.009
tors. eta vs tors. theta energy: -24.643
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: 9, replica: 8
=====================================
Write number: 9
Temperature: 1.300000
Total energy: -349.485837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.485837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.485837 (E_RNA)
where:
Base-Base interactions energy: -145.792
where: short stacking energy: -108.503
Base-Backbone interact. energy: -0.083
local terms energy: -203.611364
where:
bonds (distance) C4'-P energy: -64.238
bonds (distance) P-C4' energy: -72.694
flat angles C4'-P-C4' energy: -53.932
flat angles P-C4'-P energy: -23.605
tors. eta vs tors. theta energy: 10.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 9
Temperature: 1.350000
Total energy: -310.061030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.061030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.061030 (E_RNA)
where:
Base-Base interactions energy: -127.581
where: short stacking energy: -83.437
Base-Backbone interact. energy: -0.167
local terms energy: -182.313071
where:
bonds (distance) C4'-P energy: -63.413
bonds (distance) P-C4' energy: -46.928
flat angles C4'-P-C4' energy: -63.591
flat angles P-C4'-P energy: -22.976
tors. eta vs tors. theta energy: 14.595
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: 4
=====================================
Write number: 10
Temperature: 0.900000
Total energy: -959.597750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -959.597750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -959.597750 (E_RNA)
where:
Base-Base interactions energy: -568.055
where: short stacking energy: -326.546
Base-Backbone interact. energy: -0.976
local terms energy: -390.603376
where:
bonds (distance) C4'-P energy: -79.532
bonds (distance) P-C4' energy: -84.183
flat angles C4'-P-C4' energy: -78.055
flat angles P-C4'-P energy: -54.819
tors. eta vs tors. theta energy: -94.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.037 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 10
Temperature: 0.950000
Total energy: -940.121763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -940.121763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -940.121763 (E_RNA)
where:
Base-Base interactions energy: -581.179
where: short stacking energy: -276.807
Base-Backbone interact. energy: -1.369
local terms energy: -357.573466
where:
bonds (distance) C4'-P energy: -70.749
bonds (distance) P-C4' energy: -72.149
flat angles C4'-P-C4' energy: -86.483
flat angles P-C4'-P energy: -56.655
tors. eta vs tors. theta energy: -71.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 10
Temperature: 1.000000
Total energy: -802.729129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -802.729129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -802.729129 (E_RNA)
where:
Base-Base interactions energy: -486.520
where: short stacking energy: -257.874
Base-Backbone interact. energy: 1.715
local terms energy: -317.924122
where:
bonds (distance) C4'-P energy: -78.891
bonds (distance) P-C4' energy: -69.985
flat angles C4'-P-C4' energy: -77.474
flat angles P-C4'-P energy: -41.447
tors. eta vs tors. theta energy: -50.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 10
Temperature: 1.050000
Total energy: -606.068636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -606.068636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -606.068636 (E_RNA)
where:
Base-Base interactions energy: -285.310
where: short stacking energy: -217.856
Base-Backbone interact. energy: -1.397
local terms energy: -319.361231
where:
bonds (distance) C4'-P energy: -74.813
bonds (distance) P-C4' energy: -84.338
flat angles C4'-P-C4' energy: -57.416
flat angles P-C4'-P energy: -56.199
tors. eta vs tors. theta energy: -46.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 10
Temperature: 1.100000
Total energy: -747.551639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -747.551639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -747.551639 (E_RNA)
where:
Base-Base interactions energy: -463.421
where: short stacking energy: -206.460
Base-Backbone interact. energy: 4.224
local terms energy: -288.355080
where:
bonds (distance) C4'-P energy: -67.467
bonds (distance) P-C4' energy: -80.467
flat angles C4'-P-C4' energy: -64.172
flat angles P-C4'-P energy: -35.816
tors. eta vs tors. theta energy: -40.433
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: 10
Temperature: 1.150000
Total energy: -637.425474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -637.425474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -637.425474 (E_RNA)
where:
Base-Base interactions energy: -373.492
where: short stacking energy: -191.427
Base-Backbone interact. energy: -1.507
local terms energy: -262.426591
where:
bonds (distance) C4'-P energy: -66.470
bonds (distance) P-C4' energy: -53.936
flat angles C4'-P-C4' energy: -67.959
flat angles P-C4'-P energy: -46.879
tors. eta vs tors. theta energy: -27.184
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: 7, replica: 7
=====================================
Write number: 10
Temperature: 1.200000
Total energy: -658.713185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -658.713185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -658.713185 (E_RNA)
where:
Base-Base interactions energy: -378.832
where: short stacking energy: -208.963
Base-Backbone interact. energy: -1.094
local terms energy: -278.786888
where:
bonds (distance) C4'-P energy: -61.218
bonds (distance) P-C4' energy: -81.034
flat angles C4'-P-C4' energy: -53.431
flat angles P-C4'-P energy: -43.887
tors. eta vs tors. theta energy: -39.217
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: 8, replica: 10
=====================================
Write number: 10
Temperature: 1.250000
Total energy: -452.683606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.683606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.683606 (E_RNA)
where:
Base-Base interactions energy: -218.194
where: short stacking energy: -145.893
Base-Backbone interact. energy: 1.685
local terms energy: -236.174671
where:
bonds (distance) C4'-P energy: -53.088
bonds (distance) P-C4' energy: -59.046
flat angles C4'-P-C4' energy: -77.311
flat angles P-C4'-P energy: -39.446
tors. eta vs tors. theta energy: -7.283
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: 9
=====================================
Write number: 10
Temperature: 1.300000
Total energy: -337.444437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.444437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.444437 (E_RNA)
where:
Base-Base interactions energy: -101.917
where: short stacking energy: -85.981
Base-Backbone interact. energy: -1.631
local terms energy: -233.895663
where:
bonds (distance) C4'-P energy: -76.435
bonds (distance) P-C4' energy: -66.411
flat angles C4'-P-C4' energy: -64.737
flat angles P-C4'-P energy: -30.001
tors. eta vs tors. theta energy: 3.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 10
Temperature: 1.350000
Total energy: -321.781346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.781346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.781346 (E_RNA)
where:
Base-Base interactions energy: -103.440
where: short stacking energy: -89.979
Base-Backbone interact. energy: 2.516
local terms energy: -220.857790
where:
bonds (distance) C4'-P energy: -61.162
bonds (distance) P-C4' energy: -68.560
flat angles C4'-P-C4' energy: -58.087
flat angles P-C4'-P energy: -30.462
tors. eta vs tors. theta energy: -2.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 11
Temperature: 0.900000
Total energy: -952.655117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -952.655117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -952.655117 (E_RNA)
where:
Base-Base interactions energy: -572.817
where: short stacking energy: -327.700
Base-Backbone interact. energy: -0.639
local terms energy: -379.199735
where:
bonds (distance) C4'-P energy: -73.557
bonds (distance) P-C4' energy: -81.088
flat angles C4'-P-C4' energy: -88.100
flat angles P-C4'-P energy: -47.110
tors. eta vs tors. theta energy: -89.345
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: 2, replica: 2
=====================================
Write number: 11
Temperature: 0.950000
Total energy: -922.463402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -922.463402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -922.463402 (E_RNA)
where:
Base-Base interactions energy: -584.235
where: short stacking energy: -257.655
Base-Backbone interact. energy: -0.621
local terms energy: -337.621638
where:
bonds (distance) C4'-P energy: -63.427
bonds (distance) P-C4' energy: -72.373
flat angles C4'-P-C4' energy: -86.412
flat angles P-C4'-P energy: -61.742
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: 0.015 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 11
Temperature: 1.000000
Total energy: -795.105582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -795.105582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -795.105582 (E_RNA)
where:
Base-Base interactions energy: -449.659
where: short stacking energy: -230.641
Base-Backbone interact. energy: -0.914
local terms energy: -344.531608
where:
bonds (distance) C4'-P energy: -77.466
bonds (distance) P-C4' energy: -84.848
flat angles C4'-P-C4' energy: -72.939
flat angles P-C4'-P energy: -55.413
tors. eta vs tors. theta energy: -53.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 11
Temperature: 1.050000
Total energy: -841.336759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -841.336759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -841.336759 (E_RNA)
where:
Base-Base interactions energy: -513.950
where: short stacking energy: -248.743
Base-Backbone interact. energy: -1.634
local terms energy: -325.752055
where:
bonds (distance) C4'-P energy: -71.130
bonds (distance) P-C4' energy: -71.215
flat angles C4'-P-C4' energy: -78.046
flat angles P-C4'-P energy: -47.281
tors. eta vs tors. theta energy: -58.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 11
Temperature: 1.100000
Total energy: -560.074008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.074008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.074008 (E_RNA)
where:
Base-Base interactions energy: -284.945
where: short stacking energy: -199.926
Base-Backbone interact. energy: -0.947
local terms energy: -274.182193
where:
bonds (distance) C4'-P energy: -69.220
bonds (distance) P-C4' energy: -62.478
flat angles C4'-P-C4' energy: -72.837
flat angles P-C4'-P energy: -38.060
tors. eta vs tors. theta energy: -31.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 11
Temperature: 1.150000
Total energy: -684.883553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -684.883553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -684.883553 (E_RNA)
where:
Base-Base interactions energy: -402.995
where: short stacking energy: -202.427
Base-Backbone interact. energy: -3.401
local terms energy: -278.487109
where:
bonds (distance) C4'-P energy: -60.046
bonds (distance) P-C4' energy: -77.871
flat angles C4'-P-C4' energy: -70.050
flat angles P-C4'-P energy: -31.192
tors. eta vs tors. theta energy: -39.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 11
Temperature: 1.200000
Total energy: -681.583998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -681.583998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -681.583998 (E_RNA)
where:
Base-Base interactions energy: -391.895
where: short stacking energy: -207.373
Base-Backbone interact. energy: -1.307
local terms energy: -288.381816
where:
bonds (distance) C4'-P energy: -72.707
bonds (distance) P-C4' energy: -79.513
flat angles C4'-P-C4' energy: -60.017
flat angles P-C4'-P energy: -31.883
tors. eta vs tors. theta energy: -44.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 11
Temperature: 1.250000
Total energy: -461.458942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.458942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.458942 (E_RNA)
where:
Base-Base interactions energy: -212.230
where: short stacking energy: -149.664
Base-Backbone interact. energy: -0.845
local terms energy: -248.383539
where:
bonds (distance) C4'-P energy: -58.783
bonds (distance) P-C4' energy: -73.818
flat angles C4'-P-C4' energy: -59.899
flat angles P-C4'-P energy: -41.070
tors. eta vs tors. theta energy: -14.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 11
Temperature: 1.300000
Total energy: -336.829481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.829481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.829481 (E_RNA)
where:
Base-Base interactions energy: -129.841
where: short stacking energy: -98.903
Base-Backbone interact. energy: 4.302
local terms energy: -211.342328
where:
bonds (distance) C4'-P energy: -57.927
bonds (distance) P-C4' energy: -72.721
flat angles C4'-P-C4' energy: -60.708
flat angles P-C4'-P energy: -32.097
tors. eta vs tors. theta energy: 12.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.052 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 11
Temperature: 1.350000
Total energy: -321.024660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.024660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.024660 (E_RNA)
where:
Base-Base interactions energy: -105.974
where: short stacking energy: -66.886
Base-Backbone interact. energy: -0.804
local terms energy: -214.246698
where:
bonds (distance) C4'-P energy: -62.782
bonds (distance) P-C4' energy: -65.301
flat angles C4'-P-C4' energy: -62.285
flat angles P-C4'-P energy: -27.595
tors. eta vs tors. theta energy: 3.717
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: 4
=====================================
Write number: 12
Temperature: 0.900000
Total energy: -963.753225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -963.753225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -963.753225 (E_RNA)
where:
Base-Base interactions energy: -587.326
where: short stacking energy: -323.642
Base-Backbone interact. energy: -0.445
local terms energy: -375.982099
where:
bonds (distance) C4'-P energy: -79.454
bonds (distance) P-C4' energy: -70.153
flat angles C4'-P-C4' energy: -88.418
flat angles P-C4'-P energy: -48.953
tors. eta vs tors. theta energy: -89.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 12
Temperature: 0.950000
Total energy: -1001.386213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1001.386213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1001.386213 (E_RNA)
where:
Base-Base interactions energy: -640.342
where: short stacking energy: -303.619
Base-Backbone interact. energy: -2.369
local terms energy: -358.736092
where:
bonds (distance) C4'-P energy: -69.840
bonds (distance) P-C4' energy: -77.656
flat angles C4'-P-C4' energy: -80.887
flat angles P-C4'-P energy: -58.725
tors. eta vs tors. theta energy: -71.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.061 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 12
Temperature: 1.000000
Total energy: -901.671559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -901.671559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -901.671559 (E_RNA)
where:
Base-Base interactions energy: -584.374
where: short stacking energy: -272.790
Base-Backbone interact. energy: -2.826
local terms energy: -314.471219
where:
bonds (distance) C4'-P energy: -63.170
bonds (distance) P-C4' energy: -76.663
flat angles C4'-P-C4' energy: -69.968
flat angles P-C4'-P energy: -41.860
tors. eta vs tors. theta energy: -62.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 12
Temperature: 1.050000
Total energy: -814.842273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -814.842273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -814.842273 (E_RNA)
where:
Base-Base interactions energy: -511.908
where: short stacking energy: -268.506
Base-Backbone interact. energy: -0.623
local terms energy: -302.311279
where:
bonds (distance) C4'-P energy: -63.975
bonds (distance) P-C4' energy: -76.480
flat angles C4'-P-C4' energy: -62.154
flat angles P-C4'-P energy: -43.431
tors. eta vs tors. theta energy: -56.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 12
Temperature: 1.100000
Total energy: -723.559327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -723.559327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -723.559327 (E_RNA)
where:
Base-Base interactions energy: -426.098
where: short stacking energy: -226.035
Base-Backbone interact. energy: -0.615
local terms energy: -296.846498
where:
bonds (distance) C4'-P energy: -65.545
bonds (distance) P-C4' energy: -63.946
flat angles C4'-P-C4' energy: -58.988
flat angles P-C4'-P energy: -62.098
tors. eta vs tors. theta energy: -46.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 12
Temperature: 1.150000
Total energy: -504.813152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.813152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.813152 (E_RNA)
where:
Base-Base interactions energy: -237.618
where: short stacking energy: -168.050
Base-Backbone interact. energy: -2.649
local terms energy: -264.546326
where:
bonds (distance) C4'-P energy: -68.202
bonds (distance) P-C4' energy: -73.150
flat angles C4'-P-C4' energy: -73.344
flat angles P-C4'-P energy: -29.328
tors. eta vs tors. theta energy: -20.522
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: 12
Temperature: 1.200000
Total energy: -662.787624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -662.787624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -662.787624 (E_RNA)
where:
Base-Base interactions energy: -379.287
where: short stacking energy: -211.846
Base-Backbone interact. energy: 0.831
local terms energy: -286.052763
where:
bonds (distance) C4'-P energy: -71.975
bonds (distance) P-C4' energy: -63.891
flat angles C4'-P-C4' energy: -74.489
flat angles P-C4'-P energy: -36.219
tors. eta vs tors. theta energy: -39.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.721 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 12
Temperature: 1.250000
Total energy: -513.555808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.555808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.555808 (E_RNA)
where:
Base-Base interactions energy: -285.161
where: short stacking energy: -175.880
Base-Backbone interact. energy: -2.916
local terms energy: -226.148212
where:
bonds (distance) C4'-P energy: -63.032
bonds (distance) P-C4' energy: -65.396
flat angles C4'-P-C4' energy: -46.111
flat angles P-C4'-P energy: -25.947
tors. eta vs tors. theta energy: -25.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.670 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 12
Temperature: 1.300000
Total energy: -334.547980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.547980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.547980 (E_RNA)
where:
Base-Base interactions energy: -91.118
where: short stacking energy: -87.757
Base-Backbone interact. energy: -0.318
local terms energy: -243.111266
where:
bonds (distance) C4'-P energy: -67.660
bonds (distance) P-C4' energy: -74.118
flat angles C4'-P-C4' energy: -62.675
flat angles P-C4'-P energy: -37.003
tors. eta vs tors. theta energy: -1.656
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: 8
=====================================
Write number: 12
Temperature: 1.350000
Total energy: -305.633828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.633828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.633828 (E_RNA)
where:
Base-Base interactions energy: -90.205
where: short stacking energy: -87.876
Base-Backbone interact. energy: 2.025
local terms energy: -217.453413
where:
bonds (distance) C4'-P energy: -63.925
bonds (distance) P-C4' energy: -67.278
flat angles C4'-P-C4' energy: -61.395
flat angles P-C4'-P energy: -34.901
tors. eta vs tors. theta energy: 10.046
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: 4
=====================================
Write number: 13
Temperature: 0.900000
Total energy: -933.739293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -933.739293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -933.739293 (E_RNA)
where:
Base-Base interactions energy: -559.107
where: short stacking energy: -299.585
Base-Backbone interact. energy: -1.585
local terms energy: -373.046748
where:
bonds (distance) C4'-P energy: -72.808
bonds (distance) P-C4' energy: -79.233
flat angles C4'-P-C4' energy: -81.684
flat angles P-C4'-P energy: -53.555
tors. eta vs tors. theta energy: -85.766
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: 6
=====================================
Write number: 13
Temperature: 0.950000
Total energy: -1024.753449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1024.753449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1024.753449 (E_RNA)
where:
Base-Base interactions energy: -681.616
where: short stacking energy: -293.172
Base-Backbone interact. energy: -1.907
local terms energy: -341.231139
where:
bonds (distance) C4'-P energy: -71.971
bonds (distance) P-C4' energy: -67.974
flat angles C4'-P-C4' energy: -71.901
flat angles P-C4'-P energy: -57.134
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: 3, replica: 2
=====================================
Write number: 13
Temperature: 1.000000
Total energy: -962.316774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -962.316774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -962.316774 (E_RNA)
where:
Base-Base interactions energy: -621.956
where: short stacking energy: -269.348
Base-Backbone interact. energy: -0.502
local terms energy: -339.859050
where:
bonds (distance) C4'-P energy: -66.338
bonds (distance) P-C4' energy: -87.875
flat angles C4'-P-C4' energy: -76.287
flat angles P-C4'-P energy: -52.194
tors. eta vs tors. theta energy: -57.164
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: 13
Temperature: 1.050000
Total energy: -887.379252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -887.379252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -887.379252 (E_RNA)
where:
Base-Base interactions energy: -570.487
where: short stacking energy: -262.960
Base-Backbone interact. energy: -4.575
local terms energy: -312.316904
where:
bonds (distance) C4'-P energy: -67.248
bonds (distance) P-C4' energy: -73.316
flat angles C4'-P-C4' energy: -69.647
flat angles P-C4'-P energy: -46.399
tors. eta vs tors. theta energy: -55.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 13
Temperature: 1.100000
Total energy: -764.228210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -764.228210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -764.228210 (E_RNA)
where:
Base-Base interactions energy: -429.789
where: short stacking energy: -220.923
Base-Backbone interact. energy: -1.169
local terms energy: -333.270259
where:
bonds (distance) C4'-P energy: -72.506
bonds (distance) P-C4' energy: -70.663
flat angles C4'-P-C4' energy: -83.808
flat angles P-C4'-P energy: -55.187
tors. eta vs tors. theta energy: -51.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 13
Temperature: 1.150000
Total energy: -690.307480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -690.307480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -690.307480 (E_RNA)
where:
Base-Base interactions energy: -386.879
where: short stacking energy: -214.799
Base-Backbone interact. energy: -0.879
local terms energy: -302.549499
where:
bonds (distance) C4'-P energy: -73.466
bonds (distance) P-C4' energy: -79.153
flat angles C4'-P-C4' energy: -56.652
flat angles P-C4'-P energy: -54.203
tors. eta vs tors. theta energy: -39.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 13
Temperature: 1.200000
Total energy: -492.782702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.782702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.782702 (E_RNA)
where:
Base-Base interactions energy: -247.122
where: short stacking energy: -164.380
Base-Backbone interact. energy: -0.895
local terms energy: -244.766161
where:
bonds (distance) C4'-P energy: -48.269
bonds (distance) P-C4' energy: -77.293
flat angles C4'-P-C4' energy: -67.291
flat angles P-C4'-P energy: -38.760
tors. eta vs tors. theta energy: -13.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 13
Temperature: 1.250000
Total energy: -660.009279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -660.009279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -660.009279 (E_RNA)
where:
Base-Base interactions energy: -389.863
where: short stacking energy: -214.401
Base-Backbone interact. energy: -0.983
local terms energy: -269.163472
where:
bonds (distance) C4'-P energy: -64.703
bonds (distance) P-C4' energy: -69.977
flat angles C4'-P-C4' energy: -67.536
flat angles P-C4'-P energy: -27.589
tors. eta vs tors. theta energy: -39.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 13
Temperature: 1.300000
Total energy: -364.791106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.791106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.791106 (E_RNA)
where:
Base-Base interactions energy: -153.312
where: short stacking energy: -117.734
Base-Backbone interact. energy: -0.406
local terms energy: -211.073131
where:
bonds (distance) C4'-P energy: -54.569
bonds (distance) P-C4' energy: -71.973
flat angles C4'-P-C4' energy: -49.021
flat angles P-C4'-P energy: -42.540
tors. eta vs tors. theta energy: 7.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 13
Temperature: 1.350000
Total energy: -410.818103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.818103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.818103 (E_RNA)
where:
Base-Base interactions energy: -206.925
where: short stacking energy: -88.647
Base-Backbone interact. energy: -1.514
local terms energy: -202.379208
where:
bonds (distance) C4'-P energy: -56.888
bonds (distance) P-C4' energy: -69.210
flat angles C4'-P-C4' energy: -48.527
flat angles P-C4'-P energy: -37.420
tors. eta vs tors. theta energy: 9.664
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: 6
=====================================
Write number: 14
Temperature: 0.900000
Total energy: -1108.488858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1108.488858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1108.488858 (E_RNA)
where:
Base-Base interactions energy: -743.058
where: short stacking energy: -325.116
Base-Backbone interact. energy: -3.079
local terms energy: -362.351462
where:
bonds (distance) C4'-P energy: -75.312
bonds (distance) P-C4' energy: -72.539
flat angles C4'-P-C4' energy: -81.394
flat angles P-C4'-P energy: -44.346
tors. eta vs tors. theta energy: -88.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 14
Temperature: 0.950000
Total energy: -897.621005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -897.621005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -897.621005 (E_RNA)
where:
Base-Base interactions energy: -539.946
where: short stacking energy: -309.791
Base-Backbone interact. energy: 0.598
local terms energy: -358.273269
where:
bonds (distance) C4'-P energy: -78.313
bonds (distance) P-C4' energy: -75.988
flat angles C4'-P-C4' energy: -79.622
flat angles P-C4'-P energy: -47.898
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: 3, replica: 2
=====================================
Write number: 14
Temperature: 1.000000
Total energy: -997.040473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -997.040473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -997.040473 (E_RNA)
where:
Base-Base interactions energy: -639.654
where: short stacking energy: -271.776
Base-Backbone interact. energy: -2.433
local terms energy: -355.134289
where:
bonds (distance) C4'-P energy: -75.735
bonds (distance) P-C4' energy: -77.267
flat angles C4'-P-C4' energy: -83.296
flat angles P-C4'-P energy: -50.215
tors. eta vs tors. theta energy: -68.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.181 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 14
Temperature: 1.050000
Total energy: -886.057582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -886.057582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -886.057582 (E_RNA)
where:
Base-Base interactions energy: -566.921
where: short stacking energy: -269.652
Base-Backbone interact. energy: -1.506
local terms energy: -317.631288
where:
bonds (distance) C4'-P energy: -64.083
bonds (distance) P-C4' energy: -69.116
flat angles C4'-P-C4' energy: -69.743
flat angles P-C4'-P energy: -53.796
tors. eta vs tors. theta energy: -60.894
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: 7
=====================================
Write number: 14
Temperature: 1.100000
Total energy: -735.627670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -735.627670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -735.627670 (E_RNA)
where:
Base-Base interactions energy: -437.809
where: short stacking energy: -216.707
Base-Backbone interact. energy: -0.298
local terms energy: -297.520106
where:
bonds (distance) C4'-P energy: -66.242
bonds (distance) P-C4' energy: -75.866
flat angles C4'-P-C4' energy: -60.000
flat angles P-C4'-P energy: -46.001
tors. eta vs tors. theta energy: -49.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 14
Temperature: 1.150000
Total energy: -666.661556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -666.661556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -666.661556 (E_RNA)
where:
Base-Base interactions energy: -386.003
where: short stacking energy: -200.149
Base-Backbone interact. energy: 0.339
local terms energy: -280.997950
where:
bonds (distance) C4'-P energy: -61.551
bonds (distance) P-C4' energy: -64.317
flat angles C4'-P-C4' energy: -66.804
flat angles P-C4'-P energy: -43.204
tors. eta vs tors. theta energy: -45.123
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: 10
=====================================
Write number: 14
Temperature: 1.200000
Total energy: -666.786137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -666.786137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -666.786137 (E_RNA)
where:
Base-Base interactions energy: -376.636
where: short stacking energy: -218.460
Base-Backbone interact. energy: -2.023
local terms energy: -288.126889
where:
bonds (distance) C4'-P energy: -57.670
bonds (distance) P-C4' energy: -60.855
flat angles C4'-P-C4' energy: -78.636
flat angles P-C4'-P energy: -46.431
tors. eta vs tors. theta energy: -44.535
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: 1
=====================================
Write number: 14
Temperature: 1.250000
Total energy: -455.881098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.881098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.881098 (E_RNA)
where:
Base-Base interactions energy: -199.942
where: short stacking energy: -139.485
Base-Backbone interact. energy: -0.417
local terms energy: -255.522399
where:
bonds (distance) C4'-P energy: -64.014
bonds (distance) P-C4' energy: -69.891
flat angles C4'-P-C4' energy: -63.766
flat angles P-C4'-P energy: -47.350
tors. eta vs tors. theta energy: -10.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 14
Temperature: 1.300000
Total energy: -550.208678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.208678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.208678 (E_RNA)
where:
Base-Base interactions energy: -331.985
where: short stacking energy: -154.189
Base-Backbone interact. energy: -0.045
local terms energy: -218.178664
where:
bonds (distance) C4'-P energy: -61.135
bonds (distance) P-C4' energy: -64.308
flat angles C4'-P-C4' energy: -58.410
flat angles P-C4'-P energy: -27.323
tors. eta vs tors. theta energy: -7.002
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: 9
=====================================
Write number: 14
Temperature: 1.350000
Total energy: -331.369116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.369116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.369116 (E_RNA)
where:
Base-Base interactions energy: -139.454
where: short stacking energy: -118.446
Base-Backbone interact. energy: -0.481
local terms energy: -191.434137
where:
bonds (distance) C4'-P energy: -52.916
bonds (distance) P-C4' energy: -55.354
flat angles C4'-P-C4' energy: -52.717
flat angles P-C4'-P energy: -26.872
tors. eta vs tors. theta energy: -3.575
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: 6
=====================================
Write number: 15
Temperature: 0.900000
Total energy: -1123.429572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1123.429572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1123.429572 (E_RNA)
where:
Base-Base interactions energy: -760.293
where: short stacking energy: -314.002
Base-Backbone interact. energy: -4.860
local terms energy: -358.276543
where:
bonds (distance) C4'-P energy: -80.156
bonds (distance) P-C4' energy: -72.388
flat angles C4'-P-C4' energy: -88.568
flat angles P-C4'-P energy: -35.474
tors. eta vs tors. theta energy: -81.691
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: 2
=====================================
Write number: 15
Temperature: 0.950000
Total energy: -1003.288365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1003.288365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1003.288365 (E_RNA)
where:
Base-Base interactions energy: -676.970
where: short stacking energy: -259.238
Base-Backbone interact. energy: 0.013
local terms energy: -326.331538
where:
bonds (distance) C4'-P energy: -66.340
bonds (distance) P-C4' energy: -74.142
flat angles C4'-P-C4' energy: -80.904
flat angles P-C4'-P energy: -58.149
tors. eta vs tors. theta energy: -46.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 15
Temperature: 1.000000
Total energy: -883.075370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -883.075370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -883.075370 (E_RNA)
where:
Base-Base interactions energy: -554.780
where: short stacking energy: -256.854
Base-Backbone interact. energy: -0.305
local terms energy: -327.990726
where:
bonds (distance) C4'-P energy: -68.119
bonds (distance) P-C4' energy: -83.550
flat angles C4'-P-C4' energy: -70.706
flat angles P-C4'-P energy: -54.333
tors. eta vs tors. theta energy: -51.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 15
Temperature: 1.050000
Total energy: -947.724035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -947.724035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -947.724035 (E_RNA)
where:
Base-Base interactions energy: -618.677
where: short stacking energy: -287.684
Base-Backbone interact. energy: -0.292
local terms energy: -328.754501
where:
bonds (distance) C4'-P energy: -69.491
bonds (distance) P-C4' energy: -62.628
flat angles C4'-P-C4' energy: -78.114
flat angles P-C4'-P energy: -43.576
tors. eta vs tors. theta energy: -74.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 15
Temperature: 1.100000
Total energy: -742.164115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -742.164115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -742.164115 (E_RNA)
where:
Base-Base interactions energy: -435.194
where: short stacking energy: -196.602
Base-Backbone interact. energy: -1.061
local terms energy: -305.909011
where:
bonds (distance) C4'-P energy: -69.674
bonds (distance) P-C4' energy: -79.905
flat angles C4'-P-C4' energy: -69.479
flat angles P-C4'-P energy: -44.824
tors. eta vs tors. theta energy: -42.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 15
Temperature: 1.150000
Total energy: -685.012808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -685.012808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -685.012808 (E_RNA)
where:
Base-Base interactions energy: -402.299
where: short stacking energy: -182.499
Base-Backbone interact. energy: 0.691
local terms energy: -283.405363
where:
bonds (distance) C4'-P energy: -70.964
bonds (distance) P-C4' energy: -64.107
flat angles C4'-P-C4' energy: -75.387
flat angles P-C4'-P energy: -39.488
tors. eta vs tors. theta energy: -33.460
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: 15
Temperature: 1.200000
Total energy: -649.745993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -649.745993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -649.745993 (E_RNA)
where:
Base-Base interactions energy: -373.295
where: short stacking energy: -192.624
Base-Backbone interact. energy: -2.545
local terms energy: -273.906089
where:
bonds (distance) C4'-P energy: -78.806
bonds (distance) P-C4' energy: -76.533
flat angles C4'-P-C4' energy: -56.541
flat angles P-C4'-P energy: -36.754
tors. eta vs tors. theta energy: -25.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 15
Temperature: 1.250000
Total energy: -625.450029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -625.450029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -625.450029 (E_RNA)
where:
Base-Base interactions energy: -379.780
where: short stacking energy: -189.718
Base-Backbone interact. energy: -0.746
local terms energy: -244.924465
where:
bonds (distance) C4'-P energy: -62.505
bonds (distance) P-C4' energy: -63.154
flat angles C4'-P-C4' energy: -64.307
flat angles P-C4'-P energy: -22.788
tors. eta vs tors. theta energy: -32.170
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: 1
=====================================
Write number: 15
Temperature: 1.300000
Total energy: -389.437128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.437128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.437128 (E_RNA)
where:
Base-Base interactions energy: -136.819
where: short stacking energy: -93.764
Base-Backbone interact. energy: -1.831
local terms energy: -250.787791
where:
bonds (distance) C4'-P energy: -73.041
bonds (distance) P-C4' energy: -78.081
flat angles C4'-P-C4' energy: -68.205
flat angles P-C4'-P energy: -34.534
tors. eta vs tors. theta energy: 3.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 15
Temperature: 1.350000
Total energy: -318.340442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.340442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.340442 (E_RNA)
where:
Base-Base interactions energy: -104.053
where: short stacking energy: -92.282
Base-Backbone interact. energy: -1.414
local terms energy: -212.872860
where:
bonds (distance) C4'-P energy: -66.938
bonds (distance) P-C4' energy: -74.238
flat angles C4'-P-C4' energy: -47.340
flat angles P-C4'-P energy: -32.750
tors. eta vs tors. theta energy: 8.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 16
Temperature: 0.900000
Total energy: -1116.914967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1116.914967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1116.914967 (E_RNA)
where:
Base-Base interactions energy: -749.175
where: short stacking energy: -327.836
Base-Backbone interact. energy: -3.169
local terms energy: -364.570171
where:
bonds (distance) C4'-P energy: -76.557
bonds (distance) P-C4' energy: -74.813
flat angles C4'-P-C4' energy: -74.256
flat angles P-C4'-P energy: -56.544
tors. eta vs tors. theta energy: -82.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 16
Temperature: 0.950000
Total energy: -1012.885055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1012.885055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1012.885055 (E_RNA)
where:
Base-Base interactions energy: -660.830
where: short stacking energy: -288.683
Base-Backbone interact. energy: -1.488
local terms energy: -350.566402
where:
bonds (distance) C4'-P energy: -72.002
bonds (distance) P-C4' energy: -77.907
flat angles C4'-P-C4' energy: -82.212
flat angles P-C4'-P energy: -51.790
tors. eta vs tors. theta energy: -66.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 16
Temperature: 1.000000
Total energy: -1047.517458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1047.517458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1047.517458 (E_RNA)
where:
Base-Base interactions energy: -689.234
where: short stacking energy: -302.312
Base-Backbone interact. energy: -1.330
local terms energy: -356.953556
where:
bonds (distance) C4'-P energy: -73.001
bonds (distance) P-C4' energy: -80.462
flat angles C4'-P-C4' energy: -77.808
flat angles P-C4'-P energy: -52.624
tors. eta vs tors. theta energy: -73.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 16
Temperature: 1.050000
Total energy: -825.694535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -825.694535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -825.694535 (E_RNA)
where:
Base-Base interactions energy: -529.007
where: short stacking energy: -255.718
Base-Backbone interact. energy: -0.481
local terms energy: -296.206725
where:
bonds (distance) C4'-P energy: -62.305
bonds (distance) P-C4' energy: -73.098
flat angles C4'-P-C4' energy: -64.059
flat angles P-C4'-P energy: -40.851
tors. eta vs tors. theta energy: -55.894
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: 7
=====================================
Write number: 16
Temperature: 1.100000
Total energy: -761.164000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -761.164000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -761.164000 (E_RNA)
where:
Base-Base interactions energy: -474.419
where: short stacking energy: -212.638
Base-Backbone interact. energy: 0.346
local terms energy: -287.090856
where:
bonds (distance) C4'-P energy: -67.771
bonds (distance) P-C4' energy: -70.328
flat angles C4'-P-C4' energy: -65.709
flat angles P-C4'-P energy: -35.434
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: 6, replica: 5
=====================================
Write number: 16
Temperature: 1.150000
Total energy: -753.322210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -753.322210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -753.322210 (E_RNA)
where:
Base-Base interactions energy: -442.598
where: short stacking energy: -214.147
Base-Backbone interact. energy: -3.082
local terms energy: -307.642194
where:
bonds (distance) C4'-P energy: -70.763
bonds (distance) P-C4' energy: -76.018
flat angles C4'-P-C4' energy: -71.210
flat angles P-C4'-P energy: -47.089
tors. eta vs tors. theta energy: -42.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 16
Temperature: 1.200000
Total energy: -697.326585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -697.326585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -697.326585 (E_RNA)
where:
Base-Base interactions energy: -436.783
where: short stacking energy: -230.371
Base-Backbone interact. energy: 0.249
local terms energy: -260.792872
where:
bonds (distance) C4'-P energy: -67.300
bonds (distance) P-C4' energy: -60.879
flat angles C4'-P-C4' energy: -68.976
flat angles P-C4'-P energy: -31.702
tors. eta vs tors. theta energy: -31.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 16
Temperature: 1.250000
Total energy: -616.957265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -616.957265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -616.957265 (E_RNA)
where:
Base-Base interactions energy: -349.201
where: short stacking energy: -179.920
Base-Backbone interact. energy: 0.323
local terms energy: -268.079504
where:
bonds (distance) C4'-P energy: -61.382
bonds (distance) P-C4' energy: -68.242
flat angles C4'-P-C4' energy: -60.918
flat angles P-C4'-P energy: -47.678
tors. eta vs tors. theta energy: -29.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 16
Temperature: 1.300000
Total energy: -345.772810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.772810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.772810 (E_RNA)
where:
Base-Base interactions energy: -114.388
where: short stacking energy: -107.872
Base-Backbone interact. energy: -0.991
local terms energy: -230.394126
where:
bonds (distance) C4'-P energy: -62.135
bonds (distance) P-C4' energy: -51.450
flat angles C4'-P-C4' energy: -73.552
flat angles P-C4'-P energy: -33.477
tors. eta vs tors. theta energy: -9.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 16
Temperature: 1.350000
Total energy: -321.105105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.105105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.105105 (E_RNA)
where:
Base-Base interactions energy: -131.617
where: short stacking energy: -115.671
Base-Backbone interact. energy: -2.038
local terms energy: -187.450371
where:
bonds (distance) C4'-P energy: -59.738
bonds (distance) P-C4' energy: -58.892
flat angles C4'-P-C4' energy: -45.057
flat angles P-C4'-P energy: -29.078
tors. eta vs tors. theta energy: 5.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 17
Temperature: 0.900000
Total energy: -1100.163997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1100.163997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1100.163997 (E_RNA)
where:
Base-Base interactions energy: -743.517
where: short stacking energy: -327.085
Base-Backbone interact. energy: -4.358
local terms energy: -352.289185
where:
bonds (distance) C4'-P energy: -67.112
bonds (distance) P-C4' energy: -77.913
flat angles C4'-P-C4' energy: -79.529
flat angles P-C4'-P energy: -36.728
tors. eta vs tors. theta energy: -91.007
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: 3
=====================================
Write number: 17
Temperature: 0.950000
Total energy: -1047.164149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1047.164149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1047.164149 (E_RNA)
where:
Base-Base interactions energy: -688.770
where: short stacking energy: -313.301
Base-Backbone interact. energy: -0.893
local terms energy: -357.500915
where:
bonds (distance) C4'-P energy: -70.764
bonds (distance) P-C4' energy: -84.554
flat angles C4'-P-C4' energy: -75.266
flat angles P-C4'-P energy: -52.820
tors. eta vs tors. theta energy: -74.097
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: 3, replica: 2
=====================================
Write number: 17
Temperature: 1.000000
Total energy: -996.456934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -996.456934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -996.456934 (E_RNA)
where:
Base-Base interactions energy: -648.263
where: short stacking energy: -304.302
Base-Backbone interact. energy: -1.889
local terms energy: -346.304973
where:
bonds (distance) C4'-P energy: -73.978
bonds (distance) P-C4' energy: -72.295
flat angles C4'-P-C4' energy: -74.776
flat angles P-C4'-P energy: -49.370
tors. eta vs tors. theta energy: -75.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 17
Temperature: 1.050000
Total energy: -851.476248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -851.476248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -851.476248 (E_RNA)
where:
Base-Base interactions energy: -510.981
where: short stacking energy: -253.589
Base-Backbone interact. energy: 0.894
local terms energy: -341.389014
where:
bonds (distance) C4'-P energy: -69.737
bonds (distance) P-C4' energy: -83.061
flat angles C4'-P-C4' energy: -79.835
flat angles P-C4'-P energy: -53.471
tors. eta vs tors. theta energy: -55.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 17
Temperature: 1.100000
Total energy: -782.235969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -782.235969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -782.235969 (E_RNA)
where:
Base-Base interactions energy: -466.787
where: short stacking energy: -247.691
Base-Backbone interact. energy: -2.905
local terms energy: -312.544080
where:
bonds (distance) C4'-P energy: -66.771
bonds (distance) P-C4' energy: -79.630
flat angles C4'-P-C4' energy: -70.123
flat angles P-C4'-P energy: -46.038
tors. eta vs tors. theta energy: -49.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 17
Temperature: 1.150000
Total energy: -707.397186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -707.397186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -707.397186 (E_RNA)
where:
Base-Base interactions energy: -437.152
where: short stacking energy: -221.366
Base-Backbone interact. energy: 4.154
local terms energy: -274.398333
where:
bonds (distance) C4'-P energy: -71.804
bonds (distance) P-C4' energy: -60.182
flat angles C4'-P-C4' energy: -64.184
flat angles P-C4'-P energy: -35.941
tors. eta vs tors. theta energy: -42.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 17
Temperature: 1.200000
Total energy: -728.824170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -728.824170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -728.824170 (E_RNA)
where:
Base-Base interactions energy: -439.397
where: short stacking energy: -229.759
Base-Backbone interact. energy: -1.288
local terms energy: -288.139737
where:
bonds (distance) C4'-P energy: -64.998
bonds (distance) P-C4' energy: -69.583
flat angles C4'-P-C4' energy: -67.671
flat angles P-C4'-P energy: -47.816
tors. eta vs tors. theta energy: -38.072
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: 17
Temperature: 1.250000
Total energy: -591.989431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -591.989431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -591.989431 (E_RNA)
where:
Base-Base interactions energy: -330.947
where: short stacking energy: -180.170
Base-Backbone interact. energy: -0.643
local terms energy: -260.399253
where:
bonds (distance) C4'-P energy: -73.172
bonds (distance) P-C4' energy: -62.578
flat angles C4'-P-C4' energy: -68.478
flat angles P-C4'-P energy: -37.199
tors. eta vs tors. theta energy: -18.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 17
Temperature: 1.300000
Total energy: -353.991855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.991855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.991855 (E_RNA)
where:
Base-Base interactions energy: -148.956
where: short stacking energy: -125.956
Base-Backbone interact. energy: 4.057
local terms energy: -209.092897
where:
bonds (distance) C4'-P energy: -59.452
bonds (distance) P-C4' energy: -65.318
flat angles C4'-P-C4' energy: -33.798
flat angles P-C4'-P energy: -35.336
tors. eta vs tors. theta energy: -15.188
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: 9
=====================================
Write number: 17
Temperature: 1.350000
Total energy: -303.639453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.639453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.639453 (E_RNA)
where:
Base-Base interactions energy: -102.014
where: short stacking energy: -82.907
Base-Backbone interact. energy: -0.891
local terms energy: -200.734585
where:
bonds (distance) C4'-P energy: -53.592
bonds (distance) P-C4' energy: -75.875
flat angles C4'-P-C4' energy: -51.519
flat angles P-C4'-P energy: -34.628
tors. eta vs tors. theta energy: 14.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 18
Temperature: 0.900000
Total energy: -1098.392903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1098.392903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1098.392903 (E_RNA)
where:
Base-Base interactions energy: -728.561
where: short stacking energy: -303.907
Base-Backbone interact. energy: -1.107
local terms energy: -368.724478
where:
bonds (distance) C4'-P energy: -79.050
bonds (distance) P-C4' energy: -77.232
flat angles C4'-P-C4' energy: -79.740
flat angles P-C4'-P energy: -50.766
tors. eta vs tors. theta energy: -81.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 18
Temperature: 0.950000
Total energy: -1053.597084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1053.597084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1053.597084 (E_RNA)
where:
Base-Base interactions energy: -706.327
where: short stacking energy: -328.606
Base-Backbone interact. energy: 0.422
local terms energy: -347.692604
where:
bonds (distance) C4'-P energy: -71.479
bonds (distance) P-C4' energy: -79.131
flat angles C4'-P-C4' energy: -73.688
flat angles P-C4'-P energy: -47.227
tors. eta vs tors. theta energy: -76.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 18
Temperature: 1.000000
Total energy: -999.201577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -999.201577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -999.201577 (E_RNA)
where:
Base-Base interactions energy: -664.065
where: short stacking energy: -282.051
Base-Backbone interact. energy: -1.247
local terms energy: -333.889630
where:
bonds (distance) C4'-P energy: -59.665
bonds (distance) P-C4' energy: -79.632
flat angles C4'-P-C4' energy: -78.935
flat angles P-C4'-P energy: -53.087
tors. eta vs tors. theta energy: -62.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 18
Temperature: 1.050000
Total energy: -838.617254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -838.617254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -838.617254 (E_RNA)
where:
Base-Base interactions energy: -497.783
where: short stacking energy: -251.138
Base-Backbone interact. energy: -2.619
local terms energy: -338.215071
where:
bonds (distance) C4'-P energy: -68.859
bonds (distance) P-C4' energy: -81.690
flat angles C4'-P-C4' energy: -68.817
flat angles P-C4'-P energy: -51.443
tors. eta vs tors. theta energy: -67.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 18
Temperature: 1.100000
Total energy: -754.446107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -754.446107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -754.446107 (E_RNA)
where:
Base-Base interactions energy: -451.142
where: short stacking energy: -241.878
Base-Backbone interact. energy: -1.089
local terms energy: -302.215718
where:
bonds (distance) C4'-P energy: -60.846
bonds (distance) P-C4' energy: -67.497
flat angles C4'-P-C4' energy: -67.999
flat angles P-C4'-P energy: -49.306
tors. eta vs tors. theta energy: -56.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 18
Temperature: 1.150000
Total energy: -764.277397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -764.277397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -764.277397 (E_RNA)
where:
Base-Base interactions energy: -469.677
where: short stacking energy: -235.671
Base-Backbone interact. energy: -1.264
local terms energy: -293.336677
where:
bonds (distance) C4'-P energy: -72.096
bonds (distance) P-C4' energy: -70.215
flat angles C4'-P-C4' energy: -68.625
flat angles P-C4'-P energy: -38.415
tors. eta vs tors. theta energy: -43.986
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: 7, replica: 8
=====================================
Write number: 18
Temperature: 1.200000
Total energy: -653.046514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -653.046514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -653.046514 (E_RNA)
where:
Base-Base interactions energy: -383.629
where: short stacking energy: -190.282
Base-Backbone interact. energy: -0.857
local terms energy: -268.560612
where:
bonds (distance) C4'-P energy: -58.719
bonds (distance) P-C4' energy: -79.214
flat angles C4'-P-C4' energy: -62.279
flat angles P-C4'-P energy: -33.045
tors. eta vs tors. theta energy: -35.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 18
Temperature: 1.250000
Total energy: -608.442140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -608.442140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -608.442140 (E_RNA)
where:
Base-Base interactions energy: -367.822
where: short stacking energy: -192.704
Base-Backbone interact. energy: 0.820
local terms energy: -241.440137
where:
bonds (distance) C4'-P energy: -62.455
bonds (distance) P-C4' energy: -70.127
flat angles C4'-P-C4' energy: -55.135
flat angles P-C4'-P energy: -24.541
tors. eta vs tors. theta energy: -29.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 18
Temperature: 1.300000
Total energy: -350.797848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.797848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.797848 (E_RNA)
where:
Base-Base interactions energy: -138.700
where: short stacking energy: -94.244
Base-Backbone interact. energy: -1.000
local terms energy: -211.097770
where:
bonds (distance) C4'-P energy: -57.912
bonds (distance) P-C4' energy: -66.755
flat angles C4'-P-C4' energy: -55.859
flat angles P-C4'-P energy: -34.033
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: 9
=====================================
Write number: 18
Temperature: 1.350000
Total energy: -314.341898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.341898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.341898 (E_RNA)
where:
Base-Base interactions energy: -119.400
where: short stacking energy: -78.538
Base-Backbone interact. energy: -1.534
local terms energy: -193.407012
where:
bonds (distance) C4'-P energy: -67.653
bonds (distance) P-C4' energy: -53.030
flat angles C4'-P-C4' energy: -58.915
flat angles P-C4'-P energy: -34.521
tors. eta vs tors. theta energy: 20.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 19
Temperature: 0.900000
Total energy: -1142.342506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1142.342506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1142.342506 (E_RNA)
where:
Base-Base interactions energy: -760.025
where: short stacking energy: -316.452
Base-Backbone interact. energy: -8.982
local terms energy: -373.335685
where:
bonds (distance) C4'-P energy: -80.658
bonds (distance) P-C4' energy: -77.597
flat angles C4'-P-C4' energy: -78.651
flat angles P-C4'-P energy: -42.882
tors. eta vs tors. theta energy: -93.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 19
Temperature: 0.950000
Total energy: -1051.648674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1051.648674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1051.648674 (E_RNA)
where:
Base-Base interactions energy: -682.316
where: short stacking energy: -326.308
Base-Backbone interact. energy: -1.485
local terms energy: -367.848607
where:
bonds (distance) C4'-P energy: -75.753
bonds (distance) P-C4' energy: -73.514
flat angles C4'-P-C4' energy: -78.951
flat angles P-C4'-P energy: -54.638
tors. eta vs tors. theta energy: -84.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 19
Temperature: 1.000000
Total energy: -1006.701697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1006.701697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1006.701697 (E_RNA)
where:
Base-Base interactions energy: -650.356
where: short stacking energy: -288.036
Base-Backbone interact. energy: -2.117
local terms energy: -354.228574
where:
bonds (distance) C4'-P energy: -73.698
bonds (distance) P-C4' energy: -79.559
flat angles C4'-P-C4' energy: -73.042
flat angles P-C4'-P energy: -50.491
tors. eta vs tors. theta energy: -77.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 19
Temperature: 1.050000
Total energy: -855.908870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -855.908870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -855.908870 (E_RNA)
where:
Base-Base interactions energy: -516.815
where: short stacking energy: -260.030
Base-Backbone interact. energy: -0.341
local terms energy: -338.752717
where:
bonds (distance) C4'-P energy: -70.232
bonds (distance) P-C4' energy: -73.460
flat angles C4'-P-C4' energy: -80.940
flat angles P-C4'-P energy: -51.678
tors. eta vs tors. theta energy: -62.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 19
Temperature: 1.100000
Total energy: -744.463986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -744.463986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -744.463986 (E_RNA)
where:
Base-Base interactions energy: -416.779
where: short stacking energy: -222.859
Base-Backbone interact. energy: -1.426
local terms energy: -326.258371
where:
bonds (distance) C4'-P energy: -74.496
bonds (distance) P-C4' energy: -64.567
flat angles C4'-P-C4' energy: -81.503
flat angles P-C4'-P energy: -60.398
tors. eta vs tors. theta energy: -45.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 19
Temperature: 1.150000
Total energy: -717.784501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -717.784501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -717.784501 (E_RNA)
where:
Base-Base interactions energy: -433.366
where: short stacking energy: -216.278
Base-Backbone interact. energy: -0.914
local terms energy: -283.504523
where:
bonds (distance) C4'-P energy: -55.724
bonds (distance) P-C4' energy: -62.935
flat angles C4'-P-C4' energy: -73.594
flat angles P-C4'-P energy: -43.325
tors. eta vs tors. theta energy: -47.927
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: 8
=====================================
Write number: 19
Temperature: 1.200000
Total energy: -685.489926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -685.489926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -685.489926 (E_RNA)
where:
Base-Base interactions energy: -427.707
where: short stacking energy: -222.984
Base-Backbone interact. energy: -0.659
local terms energy: -257.123732
where:
bonds (distance) C4'-P energy: -48.127
bonds (distance) P-C4' energy: -70.315
flat angles C4'-P-C4' energy: -67.086
flat angles P-C4'-P energy: -41.758
tors. eta vs tors. theta energy: -29.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 19
Temperature: 1.250000
Total energy: -591.165931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -591.165931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -591.165931 (E_RNA)
where:
Base-Base interactions energy: -300.532
where: short stacking energy: -162.404
Base-Backbone interact. energy: -1.271
local terms energy: -289.363492
where:
bonds (distance) C4'-P energy: -72.378
bonds (distance) P-C4' energy: -77.862
flat angles C4'-P-C4' energy: -76.381
flat angles P-C4'-P energy: -42.880
tors. eta vs tors. theta energy: -19.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 19
Temperature: 1.300000
Total energy: -359.997998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.997998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.997998 (E_RNA)
where:
Base-Base interactions energy: -151.069
where: short stacking energy: -136.524
Base-Backbone interact. energy: 5.525
local terms energy: -214.453808
where:
bonds (distance) C4'-P energy: -49.766
bonds (distance) P-C4' energy: -49.429
flat angles C4'-P-C4' energy: -57.229
flat angles P-C4'-P energy: -41.556
tors. eta vs tors. theta energy: -16.473
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: 9
=====================================
Write number: 19
Temperature: 1.350000
Total energy: -322.598551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.598551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.598551 (E_RNA)
where:
Base-Base interactions energy: -110.981
where: short stacking energy: -95.103
Base-Backbone interact. energy: -1.520
local terms energy: -210.098242
where:
bonds (distance) C4'-P energy: -39.433
bonds (distance) P-C4' energy: -67.734
flat angles C4'-P-C4' energy: -61.284
flat angles P-C4'-P energy: -39.006
tors. eta vs tors. theta energy: -2.641
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: 6
=====================================
Write number: 20
Temperature: 0.900000
Total energy: -1133.380036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1133.380036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1133.380036 (E_RNA)
where:
Base-Base interactions energy: -746.810
where: short stacking energy: -340.780
Base-Backbone interact. energy: -4.721
local terms energy: -381.848358
where:
bonds (distance) C4'-P energy: -76.569
bonds (distance) P-C4' energy: -78.820
flat angles C4'-P-C4' energy: -80.436
flat angles P-C4'-P energy: -47.820
tors. eta vs tors. theta energy: -98.203
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: 3
=====================================
Write number: 20
Temperature: 0.950000
Total energy: -1057.241566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1057.241566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1057.241566 (E_RNA)
where:
Base-Base interactions energy: -698.744
where: short stacking energy: -330.078
Base-Backbone interact. energy: -1.043
local terms energy: -357.454448
where:
bonds (distance) C4'-P energy: -60.587
bonds (distance) P-C4' energy: -85.275
flat angles C4'-P-C4' energy: -72.328
flat angles P-C4'-P energy: -47.521
tors. eta vs tors. theta energy: -91.744
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: 3, replica: 2
=====================================
Write number: 20
Temperature: 1.000000
Total energy: -1006.131421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1006.131421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1006.131421 (E_RNA)
where:
Base-Base interactions energy: -650.522
where: short stacking energy: -290.330
Base-Backbone interact. energy: -1.272
local terms energy: -354.337424
where:
bonds (distance) C4'-P energy: -79.644
bonds (distance) P-C4' energy: -69.083
flat angles C4'-P-C4' energy: -76.974
flat angles P-C4'-P energy: -53.966
tors. eta vs tors. theta energy: -74.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 20
Temperature: 1.050000
Total energy: -844.136324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -844.136324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -844.136324 (E_RNA)
where:
Base-Base interactions energy: -532.768
where: short stacking energy: -240.710
Base-Backbone interact. energy: 0.927
local terms energy: -312.294927
where:
bonds (distance) C4'-P energy: -67.843
bonds (distance) P-C4' energy: -76.544
flat angles C4'-P-C4' energy: -74.300
flat angles P-C4'-P energy: -38.506
tors. eta vs tors. theta energy: -55.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 20
Temperature: 1.100000
Total energy: -747.614073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -747.614073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -747.614073 (E_RNA)
where:
Base-Base interactions energy: -457.273
where: short stacking energy: -246.741
Base-Backbone interact. energy: -0.953
local terms energy: -289.388614
where:
bonds (distance) C4'-P energy: -69.240
bonds (distance) P-C4' energy: -69.923
flat angles C4'-P-C4' energy: -65.087
flat angles P-C4'-P energy: -36.210
tors. eta vs tors. theta energy: -48.929
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: 6, replica: 5
=====================================
Write number: 20
Temperature: 1.150000
Total energy: -703.796198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -703.796198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -703.796198 (E_RNA)
where:
Base-Base interactions energy: -443.045
where: short stacking energy: -216.767
Base-Backbone interact. energy: -1.134
local terms energy: -259.617488
where:
bonds (distance) C4'-P energy: -45.679
bonds (distance) P-C4' energy: -71.059
flat angles C4'-P-C4' energy: -68.565
flat angles P-C4'-P energy: -41.981
tors. eta vs tors. theta energy: -32.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 20
Temperature: 1.200000
Total energy: -649.395038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -649.395038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -649.395038 (E_RNA)
where:
Base-Base interactions energy: -380.106
where: short stacking energy: -186.822
Base-Backbone interact. energy: -0.324
local terms energy: -268.964715
where:
bonds (distance) C4'-P energy: -61.219
bonds (distance) P-C4' energy: -65.252
flat angles C4'-P-C4' energy: -62.062
flat angles P-C4'-P energy: -48.651
tors. eta vs tors. theta energy: -31.782
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: 8, replica: 10
=====================================
Write number: 20
Temperature: 1.250000
Total energy: -571.706829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -571.706829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -571.706829 (E_RNA)
where:
Base-Base interactions energy: -325.735
where: short stacking energy: -175.526
Base-Backbone interact. energy: 0.035
local terms energy: -246.006979
where:
bonds (distance) C4'-P energy: -53.523
bonds (distance) P-C4' energy: -45.095
flat angles C4'-P-C4' energy: -61.093
flat angles P-C4'-P energy: -45.585
tors. eta vs tors. theta energy: -40.711
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: 9, replica: 9
=====================================
Write number: 20
Temperature: 1.300000
Total energy: -363.305758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.305758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.305758 (E_RNA)
where:
Base-Base interactions energy: -144.789
where: short stacking energy: -106.823
Base-Backbone interact. energy: -0.676
local terms energy: -217.840702
where:
bonds (distance) C4'-P energy: -52.126
bonds (distance) P-C4' energy: -61.986
flat angles C4'-P-C4' energy: -65.855
flat angles P-C4'-P energy: -36.357
tors. eta vs tors. theta energy: -1.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 20
Temperature: 1.350000
Total energy: -312.207963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.207963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.207963 (E_RNA)
where:
Base-Base interactions energy: -120.922
where: short stacking energy: -92.122
Base-Backbone interact. energy: 6.325
local terms energy: -197.610242
where:
bonds (distance) C4'-P energy: -44.286
bonds (distance) P-C4' energy: -68.871
flat angles C4'-P-C4' energy: -45.401
flat angles P-C4'-P energy: -36.553
tors. eta vs tors. theta energy: -2.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 21
Temperature: 0.900000
Total energy: -1149.929245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1149.929245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1149.929245 (E_RNA)
where:
Base-Base interactions energy: -765.842
where: short stacking energy: -333.908
Base-Backbone interact. energy: -4.839
local terms energy: -379.248129
where:
bonds (distance) C4'-P energy: -75.328
bonds (distance) P-C4' energy: -77.034
flat angles C4'-P-C4' energy: -84.117
flat angles P-C4'-P energy: -42.435
tors. eta vs tors. theta energy: -100.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 21
Temperature: 0.950000
Total energy: -1095.246517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1095.246517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1095.246517 (E_RNA)
where:
Base-Base interactions energy: -722.591
where: short stacking energy: -320.910
Base-Backbone interact. energy: -2.444
local terms energy: -370.211422
where:
bonds (distance) C4'-P energy: -64.881
bonds (distance) P-C4' energy: -84.409
flat angles C4'-P-C4' energy: -75.301
flat angles P-C4'-P energy: -55.382
tors. eta vs tors. theta energy: -90.237
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: 21
Temperature: 1.000000
Total energy: -1047.944231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1047.944231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1047.944231 (E_RNA)
where:
Base-Base interactions energy: -689.652
where: short stacking energy: -313.107
Base-Backbone interact. energy: -1.496
local terms energy: -356.796048
where:
bonds (distance) C4'-P energy: -74.436
bonds (distance) P-C4' energy: -77.956
flat angles C4'-P-C4' energy: -83.062
flat angles P-C4'-P energy: -44.979
tors. eta vs tors. theta energy: -76.362
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: 7
=====================================
Write number: 21
Temperature: 1.050000
Total energy: -847.051769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -847.051769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -847.051769 (E_RNA)
where:
Base-Base interactions energy: -544.791
where: short stacking energy: -246.241
Base-Backbone interact. energy: -1.161
local terms energy: -301.099764
where:
bonds (distance) C4'-P energy: -62.234
bonds (distance) P-C4' energy: -72.607
flat angles C4'-P-C4' energy: -61.064
flat angles P-C4'-P energy: -47.473
tors. eta vs tors. theta energy: -57.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 21
Temperature: 1.100000
Total energy: -812.907821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -812.907821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -812.907821 (E_RNA)
where:
Base-Base interactions energy: -509.932
where: short stacking energy: -256.335
Base-Backbone interact. energy: -0.158
local terms energy: -302.817380
where:
bonds (distance) C4'-P energy: -71.019
bonds (distance) P-C4' energy: -70.818
flat angles C4'-P-C4' energy: -62.127
flat angles P-C4'-P energy: -41.888
tors. eta vs tors. theta energy: -56.965
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: 6, replica: 8
=====================================
Write number: 21
Temperature: 1.150000
Total energy: -780.695559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -780.695559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -780.695559 (E_RNA)
where:
Base-Base interactions energy: -503.887
where: short stacking energy: -205.551
Base-Backbone interact. energy: -1.362
local terms energy: -275.446170
where:
bonds (distance) C4'-P energy: -61.522
bonds (distance) P-C4' energy: -65.283
flat angles C4'-P-C4' energy: -69.091
flat angles P-C4'-P energy: -44.056
tors. eta vs tors. theta energy: -35.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 21
Temperature: 1.200000
Total energy: -692.180984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -692.180984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -692.180984 (E_RNA)
where:
Base-Base interactions energy: -433.734
where: short stacking energy: -201.074
Base-Backbone interact. energy: 0.373
local terms energy: -258.820269
where:
bonds (distance) C4'-P energy: -62.103
bonds (distance) P-C4' energy: -64.436
flat angles C4'-P-C4' energy: -67.698
flat angles P-C4'-P energy: -36.531
tors. eta vs tors. theta energy: -28.052
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: 10
=====================================
Write number: 21
Temperature: 1.250000
Total energy: -582.200461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -582.200461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -582.200461 (E_RNA)
where:
Base-Base interactions energy: -349.565
where: short stacking energy: -155.829
Base-Backbone interact. energy: 0.399
local terms energy: -233.034609
where:
bonds (distance) C4'-P energy: -63.843
bonds (distance) P-C4' energy: -73.051
flat angles C4'-P-C4' energy: -43.394
flat angles P-C4'-P energy: -28.333
tors. eta vs tors. theta energy: -24.414
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: 9
=====================================
Write number: 21
Temperature: 1.300000
Total energy: -337.390985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.390985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.390985 (E_RNA)
where:
Base-Base interactions energy: -104.773
where: short stacking energy: -96.014
Base-Backbone interact. energy: 0.038
local terms energy: -232.655772
where:
bonds (distance) C4'-P energy: -66.778
bonds (distance) P-C4' energy: -68.928
flat angles C4'-P-C4' energy: -66.719
flat angles P-C4'-P energy: -33.963
tors. eta vs tors. theta energy: 3.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 21
Temperature: 1.350000
Total energy: -341.239379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.239379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.239379 (E_RNA)
where:
Base-Base interactions energy: -146.043
where: short stacking energy: -107.185
Base-Backbone interact. energy: -3.161
local terms energy: -192.035224
where:
bonds (distance) C4'-P energy: -72.686
bonds (distance) P-C4' energy: -58.242
flat angles C4'-P-C4' energy: -44.402
flat angles P-C4'-P energy: -27.371
tors. eta vs tors. theta energy: 10.665
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: 6
=====================================
Write number: 22
Temperature: 0.900000
Total energy: -1169.100086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1169.100086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1169.100086 (E_RNA)
where:
Base-Base interactions energy: -783.551
where: short stacking energy: -342.944
Base-Backbone interact. energy: -5.734
local terms energy: -379.815198
where:
bonds (distance) C4'-P energy: -66.466
bonds (distance) P-C4' energy: -85.516
flat angles C4'-P-C4' energy: -79.878
flat angles P-C4'-P energy: -44.430
tors. eta vs tors. theta energy: -103.524
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: 2
=====================================
Write number: 22
Temperature: 0.950000
Total energy: -1106.324385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1106.324385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1106.324385 (E_RNA)
where:
Base-Base interactions energy: -707.828
where: short stacking energy: -332.738
Base-Backbone interact. energy: -1.201
local terms energy: -397.295362
where:
bonds (distance) C4'-P energy: -79.166
bonds (distance) P-C4' energy: -83.126
flat angles C4'-P-C4' energy: -88.340
flat angles P-C4'-P energy: -55.996
tors. eta vs tors. theta energy: -90.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 22
Temperature: 1.000000
Total energy: -1003.266269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1003.266269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1003.266269 (E_RNA)
where:
Base-Base interactions energy: -658.283
where: short stacking energy: -318.041
Base-Backbone interact. energy: -2.004
local terms energy: -342.979590
where:
bonds (distance) C4'-P energy: -62.613
bonds (distance) P-C4' energy: -74.859
flat angles C4'-P-C4' energy: -82.867
flat angles P-C4'-P energy: -40.069
tors. eta vs tors. theta energy: -82.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 22
Temperature: 1.050000
Total energy: -924.064967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -924.064967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -924.064967 (E_RNA)
where:
Base-Base interactions energy: -576.785
where: short stacking energy: -286.608
Base-Backbone interact. energy: -2.890
local terms energy: -344.389672
where:
bonds (distance) C4'-P energy: -64.394
bonds (distance) P-C4' energy: -80.835
flat angles C4'-P-C4' energy: -75.016
flat angles P-C4'-P energy: -50.866
tors. eta vs tors. theta energy: -73.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 22
Temperature: 1.100000
Total energy: -877.014291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -877.014291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -877.014291 (E_RNA)
where:
Base-Base interactions energy: -569.842
where: short stacking energy: -262.839
Base-Backbone interact. energy: 0.656
local terms energy: -307.828612
where:
bonds (distance) C4'-P energy: -66.718
bonds (distance) P-C4' energy: -70.538
flat angles C4'-P-C4' energy: -75.311
flat angles P-C4'-P energy: -40.896
tors. eta vs tors. theta energy: -54.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 22
Temperature: 1.150000
Total energy: -755.667803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -755.667803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -755.667803 (E_RNA)
where:
Base-Base interactions energy: -466.132
where: short stacking energy: -233.504
Base-Backbone interact. energy: -1.371
local terms energy: -288.164865
where:
bonds (distance) C4'-P energy: -74.242
bonds (distance) P-C4' energy: -66.078
flat angles C4'-P-C4' energy: -67.399
flat angles P-C4'-P energy: -41.595
tors. eta vs tors. theta energy: -38.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 22
Temperature: 1.200000
Total energy: -730.411737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -730.411737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -730.411737 (E_RNA)
where:
Base-Base interactions energy: -430.591
where: short stacking energy: -202.793
Base-Backbone interact. energy: 4.217
local terms energy: -304.037768
where:
bonds (distance) C4'-P energy: -66.754
bonds (distance) P-C4' energy: -77.955
flat angles C4'-P-C4' energy: -71.046
flat angles P-C4'-P energy: -52.053
tors. eta vs tors. theta energy: -36.229
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: 10
=====================================
Write number: 22
Temperature: 1.250000
Total energy: -548.689884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.689884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.689884 (E_RNA)
where:
Base-Base interactions energy: -291.942
where: short stacking energy: -151.848
Base-Backbone interact. energy: -1.444
local terms energy: -255.304247
where:
bonds (distance) C4'-P energy: -74.651
bonds (distance) P-C4' energy: -73.858
flat angles C4'-P-C4' energy: -67.169
flat angles P-C4'-P energy: -25.041
tors. eta vs tors. theta energy: -14.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 22
Temperature: 1.300000
Total energy: -364.645133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.645133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.645133 (E_RNA)
where:
Base-Base interactions energy: -155.959
where: short stacking energy: -143.537
Base-Backbone interact. energy: -0.917
local terms energy: -207.768801
where:
bonds (distance) C4'-P energy: -54.493
bonds (distance) P-C4' energy: -56.766
flat angles C4'-P-C4' energy: -47.560
flat angles P-C4'-P energy: -29.642
tors. eta vs tors. theta energy: -19.307
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: 1
=====================================
Write number: 22
Temperature: 1.350000
Total energy: -319.944205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.944205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.944205 (E_RNA)
where:
Base-Base interactions energy: -108.143
where: short stacking energy: -82.613
Base-Backbone interact. energy: -1.527
local terms energy: -210.273872
where:
bonds (distance) C4'-P energy: -68.211
bonds (distance) P-C4' energy: -60.431
flat angles C4'-P-C4' energy: -58.850
flat angles P-C4'-P energy: -36.511
tors. eta vs tors. theta energy: 13.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 23
Temperature: 0.900000
Total energy: -1119.085066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1119.085066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1119.085066 (E_RNA)
where:
Base-Base interactions energy: -764.185
where: short stacking energy: -315.910
Base-Backbone interact. energy: -2.029
local terms energy: -352.870840
where:
bonds (distance) C4'-P energy: -73.684
bonds (distance) P-C4' energy: -73.095
flat angles C4'-P-C4' energy: -78.424
flat angles P-C4'-P energy: -47.594
tors. eta vs tors. theta energy: -80.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 23
Temperature: 0.950000
Total energy: -1109.686340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1109.686340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1109.686340 (E_RNA)
where:
Base-Base interactions energy: -730.879
where: short stacking energy: -312.809
Base-Backbone interact. energy: -1.901
local terms energy: -376.905421
where:
bonds (distance) C4'-P energy: -72.795
bonds (distance) P-C4' energy: -80.829
flat angles C4'-P-C4' energy: -75.266
flat angles P-C4'-P energy: -64.082
tors. eta vs tors. theta energy: -83.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 23
Temperature: 1.000000
Total energy: -1039.748304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1039.748304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1039.748304 (E_RNA)
where:
Base-Base interactions energy: -682.851
where: short stacking energy: -313.905
Base-Backbone interact. energy: -2.407
local terms energy: -354.490747
where:
bonds (distance) C4'-P energy: -72.427
bonds (distance) P-C4' energy: -76.180
flat angles C4'-P-C4' energy: -81.266
flat angles P-C4'-P energy: -41.454
tors. eta vs tors. theta energy: -83.164
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: 7
=====================================
Write number: 23
Temperature: 1.050000
Total energy: -954.809859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -954.809859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -954.809859 (E_RNA)
where:
Base-Base interactions energy: -611.213
where: short stacking energy: -297.934
Base-Backbone interact. energy: -3.135
local terms energy: -340.461071
where:
bonds (distance) C4'-P energy: -71.887
bonds (distance) P-C4' energy: -67.383
flat angles C4'-P-C4' energy: -75.858
flat angles P-C4'-P energy: -49.863
tors. eta vs tors. theta energy: -75.471
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: 5, replica: 8
=====================================
Write number: 23
Temperature: 1.100000
Total energy: -874.932583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -874.932583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -874.932583 (E_RNA)
where:
Base-Base interactions energy: -572.036
where: short stacking energy: -263.483
Base-Backbone interact. energy: -3.521
local terms energy: -299.375799
where:
bonds (distance) C4'-P energy: -73.368
bonds (distance) P-C4' energy: -70.296
flat angles C4'-P-C4' energy: -68.040
flat angles P-C4'-P energy: -33.598
tors. eta vs tors. theta energy: -54.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 23
Temperature: 1.150000
Total energy: -750.379268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -750.379268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -750.379268 (E_RNA)
where:
Base-Base interactions energy: -466.687
where: short stacking energy: -230.636
Base-Backbone interact. energy: -2.160
local terms energy: -281.532852
where:
bonds (distance) C4'-P energy: -72.389
bonds (distance) P-C4' energy: -59.149
flat angles C4'-P-C4' energy: -70.006
flat angles P-C4'-P energy: -41.500
tors. eta vs tors. theta energy: -38.489
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: 4
=====================================
Write number: 23
Temperature: 1.200000
Total energy: -678.081745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -678.081745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -678.081745 (E_RNA)
where:
Base-Base interactions energy: -401.297
where: short stacking energy: -184.278
Base-Backbone interact. energy: -0.134
local terms energy: -276.650806
where:
bonds (distance) C4'-P energy: -58.728
bonds (distance) P-C4' energy: -75.183
flat angles C4'-P-C4' energy: -66.524
flat angles P-C4'-P energy: -39.872
tors. eta vs tors. theta energy: -36.343
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: 10
=====================================
Write number: 23
Temperature: 1.250000
Total energy: -550.254396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.254396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.254396 (E_RNA)
where:
Base-Base interactions energy: -290.150
where: short stacking energy: -157.449
Base-Backbone interact. energy: -1.426
local terms energy: -258.678347
where:
bonds (distance) C4'-P energy: -62.861
bonds (distance) P-C4' energy: -68.825
flat angles C4'-P-C4' energy: -67.296
flat angles P-C4'-P energy: -35.989
tors. eta vs tors. theta energy: -23.708
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: 9
=====================================
Write number: 23
Temperature: 1.300000
Total energy: -326.145029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.145029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.145029 (E_RNA)
where:
Base-Base interactions energy: -129.460
where: short stacking energy: -102.264
Base-Backbone interact. energy: -1.057
local terms energy: -195.628820
where:
bonds (distance) C4'-P energy: -60.900
bonds (distance) P-C4' energy: -72.434
flat angles C4'-P-C4' energy: -40.100
flat angles P-C4'-P energy: -22.847
tors. eta vs tors. theta energy: 0.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 23
Temperature: 1.350000
Total energy: -315.999604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.999604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.999604 (E_RNA)
where:
Base-Base interactions energy: -116.524
where: short stacking energy: -70.432
Base-Backbone interact. energy: -0.774
local terms energy: -198.701572
where:
bonds (distance) C4'-P energy: -58.985
bonds (distance) P-C4' energy: -62.216
flat angles C4'-P-C4' energy: -56.712
flat angles P-C4'-P energy: -31.472
tors. eta vs tors. theta energy: 10.684
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: 6
=====================================
Write number: 24
Temperature: 0.900000
Total energy: -1134.684370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1134.684370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1134.684370 (E_RNA)
where:
Base-Base interactions energy: -750.616
where: short stacking energy: -333.252
Base-Backbone interact. energy: -5.247
local terms energy: -378.821187
where:
bonds (distance) C4'-P energy: -81.482
bonds (distance) P-C4' energy: -81.543
flat angles C4'-P-C4' energy: -81.985
flat angles P-C4'-P energy: -54.131
tors. eta vs tors. theta energy: -79.679
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: 2, replica: 2
=====================================
Write number: 24
Temperature: 0.950000
Total energy: -1076.944939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1076.944939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1076.944939 (E_RNA)
where:
Base-Base interactions energy: -720.279
where: short stacking energy: -324.502
Base-Backbone interact. energy: -3.933
local terms energy: -352.733006
where:
bonds (distance) C4'-P energy: -66.775
bonds (distance) P-C4' energy: -84.806
flat angles C4'-P-C4' energy: -77.503
flat angles P-C4'-P energy: -49.152
tors. eta vs tors. theta energy: -74.496
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: 3, replica: 3
=====================================
Write number: 24
Temperature: 1.000000
Total energy: -1054.361828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1054.361828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1054.361828 (E_RNA)
where:
Base-Base interactions energy: -680.035
where: short stacking energy: -309.890
Base-Backbone interact. energy: -2.086
local terms energy: -372.240547
where:
bonds (distance) C4'-P energy: -73.581
bonds (distance) P-C4' energy: -81.629
flat angles C4'-P-C4' energy: -79.728
flat angles P-C4'-P energy: -49.119
tors. eta vs tors. theta energy: -88.183
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: 7
=====================================
Write number: 24
Temperature: 1.050000
Total energy: -911.050556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -911.050556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -911.050556 (E_RNA)
where:
Base-Base interactions energy: -582.422
where: short stacking energy: -276.616
Base-Backbone interact. energy: -1.066
local terms energy: -327.563126
where:
bonds (distance) C4'-P energy: -63.956
bonds (distance) P-C4' energy: -81.424
flat angles C4'-P-C4' energy: -71.489
flat angles P-C4'-P energy: -47.789
tors. eta vs tors. theta energy: -62.906
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: 8
=====================================
Write number: 24
Temperature: 1.100000
Total energy: -873.111715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -873.111715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -873.111715 (E_RNA)
where:
Base-Base interactions energy: -563.829
where: short stacking energy: -259.370
Base-Backbone interact. energy: 2.275
local terms energy: -311.557630
where:
bonds (distance) C4'-P energy: -69.994
bonds (distance) P-C4' energy: -75.642
flat angles C4'-P-C4' energy: -71.023
flat angles P-C4'-P energy: -44.624
tors. eta vs tors. theta energy: -50.274
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: 6, replica: 5
=====================================
Write number: 24
Temperature: 1.150000
Total energy: -773.479694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -773.479694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -773.479694 (E_RNA)
where:
Base-Base interactions energy: -466.690
where: short stacking energy: -225.504
Base-Backbone interact. energy: 0.335
local terms energy: -307.124390
where:
bonds (distance) C4'-P energy: -63.538
bonds (distance) P-C4' energy: -77.147
flat angles C4'-P-C4' energy: -70.318
flat angles P-C4'-P energy: -43.276
tors. eta vs tors. theta energy: -52.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 24
Temperature: 1.200000
Total energy: -681.428453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -681.428453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -681.428453 (E_RNA)
where:
Base-Base interactions energy: -395.683
where: short stacking energy: -193.143
Base-Backbone interact. energy: 1.061
local terms energy: -286.806170
where:
bonds (distance) C4'-P energy: -71.256
bonds (distance) P-C4' energy: -61.632
flat angles C4'-P-C4' energy: -69.107
flat angles P-C4'-P energy: -47.148
tors. eta vs tors. theta energy: -37.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 24
Temperature: 1.250000
Total energy: -596.728054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -596.728054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -596.728054 (E_RNA)
where:
Base-Base interactions energy: -341.179
where: short stacking energy: -188.709
Base-Backbone interact. energy: 0.413
local terms energy: -255.961900
where:
bonds (distance) C4'-P energy: -59.081
bonds (distance) P-C4' energy: -63.919
flat angles C4'-P-C4' energy: -74.056
flat angles P-C4'-P energy: -35.197
tors. eta vs tors. theta energy: -23.709
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: 1
=====================================
Write number: 24
Temperature: 1.300000
Total energy: -342.492632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.492632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.492632 (E_RNA)
where:
Base-Base interactions energy: -123.652
where: short stacking energy: -92.429
Base-Backbone interact. energy: -1.788
local terms energy: -217.052259
where:
bonds (distance) C4'-P energy: -65.332
bonds (distance) P-C4' energy: -66.833
flat angles C4'-P-C4' energy: -48.623
flat angles P-C4'-P energy: -33.183
tors. eta vs tors. theta energy: -3.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 24
Temperature: 1.350000
Total energy: -331.370411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.370411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.370411 (E_RNA)
where:
Base-Base interactions energy: -124.391
where: short stacking energy: -83.304
Base-Backbone interact. energy: -0.492
local terms energy: -206.487324
where:
bonds (distance) C4'-P energy: -68.257
bonds (distance) P-C4' energy: -62.813
flat angles C4'-P-C4' energy: -59.217
flat angles P-C4'-P energy: -27.384
tors. eta vs tors. theta energy: 11.183
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: 1, replica: 6
=====================================
Write number: 25
Temperature: 0.900000
Total energy: -1132.546313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1132.546313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1132.546313 (E_RNA)
where:
Base-Base interactions energy: -745.400
where: short stacking energy: -328.367
Base-Backbone interact. energy: -1.469
local terms energy: -385.677409
where:
bonds (distance) C4'-P energy: -85.767
bonds (distance) P-C4' energy: -85.168
flat angles C4'-P-C4' energy: -79.928
flat angles P-C4'-P energy: -50.965
tors. eta vs tors. theta energy: -83.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 25
Temperature: 0.950000
Total energy: -1102.087662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1102.087662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1102.087662 (E_RNA)
where:
Base-Base interactions energy: -730.360
where: short stacking energy: -335.854
Base-Backbone interact. energy: -3.493
local terms energy: -368.234796
where:
bonds (distance) C4'-P energy: -82.771
bonds (distance) P-C4' energy: -71.988
flat angles C4'-P-C4' energy: -79.120
flat angles P-C4'-P energy: -42.620
tors. eta vs tors. theta energy: -91.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 25
Temperature: 1.000000
Total energy: -1066.667443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1066.667443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1066.667443 (E_RNA)
where:
Base-Base interactions energy: -702.981
where: short stacking energy: -293.301
Base-Backbone interact. energy: -1.611
local terms energy: -362.074869
where:
bonds (distance) C4'-P energy: -75.130
bonds (distance) P-C4' energy: -77.080
flat angles C4'-P-C4' energy: -81.363
flat angles P-C4'-P energy: -55.746
tors. eta vs tors. theta energy: -72.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 25
Temperature: 1.050000
Total energy: -1007.690918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1007.690918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1007.690918 (E_RNA)
where:
Base-Base interactions energy: -664.663
where: short stacking energy: -293.294
Base-Backbone interact. energy: 0.293
local terms energy: -343.320600
where:
bonds (distance) C4'-P energy: -63.798
bonds (distance) P-C4' energy: -81.339
flat angles C4'-P-C4' energy: -74.796
flat angles P-C4'-P energy: -45.125
tors. eta vs tors. theta energy: -78.263
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: 7
=====================================
Write number: 25
Temperature: 1.100000
Total energy: -902.511135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -902.511135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -902.511135 (E_RNA)
where:
Base-Base interactions energy: -606.137
where: short stacking energy: -281.603
Base-Backbone interact. energy: -1.686
local terms energy: -294.688076
where:
bonds (distance) C4'-P energy: -59.919
bonds (distance) P-C4' energy: -71.262
flat angles C4'-P-C4' energy: -71.196
flat angles P-C4'-P energy: -37.901
tors. eta vs tors. theta energy: -54.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 25
Temperature: 1.150000
Total energy: -826.231666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -826.231666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -826.231666 (E_RNA)
where:
Base-Base interactions energy: -513.535
where: short stacking energy: -259.263
Base-Backbone interact. energy: -0.348
local terms energy: -312.348959
where:
bonds (distance) C4'-P energy: -74.544
bonds (distance) P-C4' energy: -70.547
flat angles C4'-P-C4' energy: -70.008
flat angles P-C4'-P energy: -35.299
tors. eta vs tors. theta energy: -61.950
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: 4
=====================================
Write number: 25
Temperature: 1.200000
Total energy: -682.352544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -682.352544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -682.352544 (E_RNA)
where:
Base-Base interactions energy: -403.942
where: short stacking energy: -204.667
Base-Backbone interact. energy: -1.158
local terms energy: -277.252260
where:
bonds (distance) C4'-P energy: -61.677
bonds (distance) P-C4' energy: -83.623
flat angles C4'-P-C4' energy: -62.950
flat angles P-C4'-P energy: -23.350
tors. eta vs tors. theta energy: -45.653
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: 10
=====================================
Write number: 25
Temperature: 1.250000
Total energy: -545.899534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.899534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.899534 (E_RNA)
where:
Base-Base interactions energy: -297.090
where: short stacking energy: -169.682
Base-Backbone interact. energy: -0.977
local terms energy: -247.832758
where:
bonds (distance) C4'-P energy: -60.512
bonds (distance) P-C4' energy: -79.023
flat angles C4'-P-C4' energy: -55.116
flat angles P-C4'-P energy: -30.743
tors. eta vs tors. theta energy: -22.438
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: 9, replica: 1
=====================================
Write number: 25
Temperature: 1.300000
Total energy: -326.313168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.313168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.313168 (E_RNA)
where:
Base-Base interactions energy: -128.560
where: short stacking energy: -98.947
Base-Backbone interact. energy: 2.068
local terms energy: -199.821245
where:
bonds (distance) C4'-P energy: -61.174
bonds (distance) P-C4' energy: -67.790
flat angles C4'-P-C4' energy: -49.299
flat angles P-C4'-P energy: -30.116
tors. eta vs tors. theta energy: 8.558
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: 9
=====================================
Write number: 25
Temperature: 1.350000
Total energy: -323.840554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.840554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.840554 (E_RNA)
where:
Base-Base interactions energy: -109.730
where: short stacking energy: -95.648
Base-Backbone interact. energy: 1.212
local terms energy: -219.830318
where:
bonds (distance) C4'-P energy: -54.487
bonds (distance) P-C4' energy: -76.243
flat angles C4'-P-C4' energy: -65.942
flat angles P-C4'-P energy: -25.918
tors. eta vs tors. theta energy: 2.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 4.508 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 26
Temperature: 0.900000
Total energy: -1140.385916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1140.385916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1140.385916 (E_RNA)
where:
Base-Base interactions energy: -762.066
where: short stacking energy: -339.455
Base-Backbone interact. energy: 0.423
local terms energy: -378.743209
where:
bonds (distance) C4'-P energy: -80.780
bonds (distance) P-C4' energy: -80.708
flat angles C4'-P-C4' energy: -81.169
flat angles P-C4'-P energy: -51.938
tors. eta vs tors. theta energy: -84.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 26
Temperature: 0.950000
Total energy: -1087.459789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1087.459789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1087.459789 (E_RNA)
where:
Base-Base interactions energy: -718.266
where: short stacking energy: -318.792
Base-Backbone interact. energy: -1.683
local terms energy: -367.510941
where:
bonds (distance) C4'-P energy: -71.735
bonds (distance) P-C4' energy: -71.237
flat angles C4'-P-C4' energy: -83.748
flat angles P-C4'-P energy: -62.715
tors. eta vs tors. theta energy: -78.076
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: 2
=====================================
Write number: 26
Temperature: 1.000000
Total energy: -1049.797418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1049.797418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1049.797418 (E_RNA)
where:
Base-Base interactions energy: -705.341
where: short stacking energy: -318.576
Base-Backbone interact. energy: -1.134
local terms energy: -343.322188
where:
bonds (distance) C4'-P energy: -66.373
bonds (distance) P-C4' energy: -68.237
flat angles C4'-P-C4' energy: -77.889
flat angles P-C4'-P energy: -50.127
tors. eta vs tors. theta energy: -80.697
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: 8
=====================================
Write number: 26
Temperature: 1.050000
Total energy: -1040.304877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1040.304877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1040.304877 (E_RNA)
where:
Base-Base interactions energy: -692.083
where: short stacking energy: -318.125
Base-Backbone interact. energy: -1.587
local terms energy: -346.634871
where:
bonds (distance) C4'-P energy: -69.232
bonds (distance) P-C4' energy: -76.581
flat angles C4'-P-C4' energy: -79.709
flat angles P-C4'-P energy: -39.317
tors. eta vs tors. theta energy: -81.796
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: 5, replica: 7
=====================================
Write number: 26
Temperature: 1.100000
Total energy: -857.993242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -857.993242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -857.993242 (E_RNA)
where:
Base-Base interactions energy: -541.094
where: short stacking energy: -266.141
Base-Backbone interact. energy: 1.438
local terms energy: -318.337327
where:
bonds (distance) C4'-P energy: -69.434
bonds (distance) P-C4' energy: -67.745
flat angles C4'-P-C4' energy: -71.285
flat angles P-C4'-P energy: -52.399
tors. eta vs tors. theta energy: -57.475
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: 6, replica: 5
=====================================
Write number: 26
Temperature: 1.150000
Total energy: -795.858514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -795.858514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -795.858514 (E_RNA)
where:
Base-Base interactions energy: -499.514
where: short stacking energy: -251.812
Base-Backbone interact. energy: 5.482
local terms energy: -301.826763
where:
bonds (distance) C4'-P energy: -63.161
bonds (distance) P-C4' energy: -65.455
flat angles C4'-P-C4' energy: -68.644
flat angles P-C4'-P energy: -46.163
tors. eta vs tors. theta energy: -58.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 26
Temperature: 1.200000
Total energy: -658.639085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -658.639085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -658.639085 (E_RNA)
where:
Base-Base interactions energy: -388.903
where: short stacking energy: -193.110
Base-Backbone interact. energy: -2.184
local terms energy: -267.552555
where:
bonds (distance) C4'-P energy: -57.872
bonds (distance) P-C4' energy: -66.324
flat angles C4'-P-C4' energy: -58.611
flat angles P-C4'-P energy: -52.548
tors. eta vs tors. theta energy: -32.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 26
Temperature: 1.250000
Total energy: -509.865417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.865417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.865417 (E_RNA)
where:
Base-Base interactions energy: -257.307
where: short stacking energy: -145.387
Base-Backbone interact. energy: -1.633
local terms energy: -250.925399
where:
bonds (distance) C4'-P energy: -63.652
bonds (distance) P-C4' energy: -73.445
flat angles C4'-P-C4' energy: -53.454
flat angles P-C4'-P energy: -47.852
tors. eta vs tors. theta energy: -12.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 26
Temperature: 1.300000
Total energy: -340.925460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.925460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.925460 (E_RNA)
where:
Base-Base interactions energy: -122.914
where: short stacking energy: -107.197
Base-Backbone interact. energy: -2.412
local terms energy: -215.599800
where:
bonds (distance) C4'-P energy: -61.044
bonds (distance) P-C4' energy: -53.837
flat angles C4'-P-C4' energy: -68.738
flat angles P-C4'-P energy: -24.329
tors. eta vs tors. theta energy: -7.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 26
Temperature: 1.350000
Total energy: -324.162123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.162123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.162123 (E_RNA)
where:
Base-Base interactions energy: -124.788
where: short stacking energy: -88.740
Base-Backbone interact. energy: 4.418
local terms energy: -203.791669
where:
bonds (distance) C4'-P energy: -66.254
bonds (distance) P-C4' energy: -64.197
flat angles C4'-P-C4' energy: -58.197
flat angles P-C4'-P energy: -23.423
tors. eta vs tors. theta energy: 8.279
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: 6
=====================================
Write number: 27
Temperature: 0.900000
Total energy: -1150.423809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1150.423809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1150.423809 (E_RNA)
where:
Base-Base interactions energy: -779.375
where: short stacking energy: -349.021
Base-Backbone interact. energy: -0.480
local terms energy: -370.568837
where:
bonds (distance) C4'-P energy: -81.135
bonds (distance) P-C4' energy: -69.159
flat angles C4'-P-C4' energy: -83.532
flat angles P-C4'-P energy: -48.000
tors. eta vs tors. theta energy: -88.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 27
Temperature: 0.950000
Total energy: -1113.341520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1113.341520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1113.341520 (E_RNA)
where:
Base-Base interactions energy: -719.397
where: short stacking energy: -336.015
Base-Backbone interact. energy: -2.328
local terms energy: -391.616705
where:
bonds (distance) C4'-P energy: -76.963
bonds (distance) P-C4' energy: -78.605
flat angles C4'-P-C4' energy: -84.414
flat angles P-C4'-P energy: -55.443
tors. eta vs tors. theta energy: -96.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 27
Temperature: 1.000000
Total energy: -1059.667063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1059.667063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1059.667063 (E_RNA)
where:
Base-Base interactions energy: -711.812
where: short stacking energy: -310.897
Base-Backbone interact. energy: -2.411
local terms energy: -345.443452
where:
bonds (distance) C4'-P energy: -73.183
bonds (distance) P-C4' energy: -72.747
flat angles C4'-P-C4' energy: -79.341
flat angles P-C4'-P energy: -47.557
tors. eta vs tors. theta energy: -72.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 27
Temperature: 1.050000
Total energy: -1019.327269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1019.327269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1019.327269 (E_RNA)
where:
Base-Base interactions energy: -673.995
where: short stacking energy: -313.386
Base-Backbone interact. energy: -1.919
local terms energy: -343.413533
where:
bonds (distance) C4'-P energy: -65.232
bonds (distance) P-C4' energy: -63.281
flat angles C4'-P-C4' energy: -83.888
flat angles P-C4'-P energy: -54.444
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: 5, replica: 7
=====================================
Write number: 27
Temperature: 1.100000
Total energy: -821.751806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -821.751806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -821.751806 (E_RNA)
where:
Base-Base interactions energy: -524.420
where: short stacking energy: -248.705
Base-Backbone interact. energy: -4.011
local terms energy: -293.320391
where:
bonds (distance) C4'-P energy: -69.335
bonds (distance) P-C4' energy: -74.684
flat angles C4'-P-C4' energy: -57.078
flat angles P-C4'-P energy: -43.712
tors. eta vs tors. theta energy: -48.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 27
Temperature: 1.150000
Total energy: -798.559584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -798.559584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -798.559584 (E_RNA)
where:
Base-Base interactions energy: -493.567
where: short stacking energy: -250.267
Base-Backbone interact. energy: -2.013
local terms energy: -302.980294
where:
bonds (distance) C4'-P energy: -67.809
bonds (distance) P-C4' energy: -78.621
flat angles C4'-P-C4' energy: -68.603
flat angles P-C4'-P energy: -40.221
tors. eta vs tors. theta energy: -47.726
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: 7, replica: 4
=====================================
Write number: 27
Temperature: 1.200000
Total energy: -679.759235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -679.759235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -679.759235 (E_RNA)
where:
Base-Base interactions energy: -399.556
where: short stacking energy: -193.899
Base-Backbone interact. energy: 1.291
local terms energy: -281.493700
where:
bonds (distance) C4'-P energy: -59.789
bonds (distance) P-C4' energy: -64.503
flat angles C4'-P-C4' energy: -69.758
flat angles P-C4'-P energy: -52.779
tors. eta vs tors. theta energy: -34.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 27
Temperature: 1.250000
Total energy: -579.068420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -579.068420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -579.068420 (E_RNA)
where:
Base-Base interactions energy: -319.030
where: short stacking energy: -173.114
Base-Backbone interact. energy: -0.095
local terms energy: -259.943377
where:
bonds (distance) C4'-P energy: -70.555
bonds (distance) P-C4' energy: -72.238
flat angles C4'-P-C4' energy: -64.426
flat angles P-C4'-P energy: -22.441
tors. eta vs tors. theta energy: -30.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 27
Temperature: 1.300000
Total energy: -374.366364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.366364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.366364 (E_RNA)
where:
Base-Base interactions energy: -136.812
where: short stacking energy: -122.047
Base-Backbone interact. energy: 0.722
local terms energy: -238.275998
where:
bonds (distance) C4'-P energy: -77.144
bonds (distance) P-C4' energy: -59.480
flat angles C4'-P-C4' energy: -69.330
flat angles P-C4'-P energy: -21.079
tors. eta vs tors. theta energy: -11.244
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: 10, replica: 1
=====================================
Write number: 27
Temperature: 1.350000
Total energy: -306.519194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.519194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.519194 (E_RNA)
where:
Base-Base interactions energy: -121.323
where: short stacking energy: -99.084
Base-Backbone interact. energy: 0.598
local terms energy: -185.793878
where:
bonds (distance) C4'-P energy: -66.802
bonds (distance) P-C4' energy: -63.992
flat angles C4'-P-C4' energy: -44.044
flat angles P-C4'-P energy: -21.494
tors. eta vs tors. theta energy: 10.538
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: 1, replica: 6
=====================================
Write number: 28
Temperature: 0.900000
Total energy: -1172.855440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1172.855440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1172.855440 (E_RNA)
where:
Base-Base interactions energy: -786.864
where: short stacking energy: -346.414
Base-Backbone interact. energy: -6.256
local terms energy: -379.735645
where:
bonds (distance) C4'-P energy: -74.094
bonds (distance) P-C4' energy: -79.456
flat angles C4'-P-C4' energy: -82.618
flat angles P-C4'-P energy: -55.918
tors. eta vs tors. theta energy: -87.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 28
Temperature: 0.950000
Total energy: -1123.864547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1123.864547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1123.864547 (E_RNA)
where:
Base-Base interactions energy: -755.323
where: short stacking energy: -358.412
Base-Backbone interact. energy: -0.601
local terms energy: -367.940751
where:
bonds (distance) C4'-P energy: -58.341
bonds (distance) P-C4' energy: -73.337
flat angles C4'-P-C4' energy: -85.911
flat angles P-C4'-P energy: -54.997
tors. eta vs tors. theta energy: -95.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 28
Temperature: 1.000000
Total energy: -1072.182791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1072.182791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1072.182791 (E_RNA)
where:
Base-Base interactions energy: -724.782
where: short stacking energy: -287.919
Base-Backbone interact. energy: -3.205
local terms energy: -344.195194
where:
bonds (distance) C4'-P energy: -75.534
bonds (distance) P-C4' energy: -65.888
flat angles C4'-P-C4' energy: -76.038
flat angles P-C4'-P energy: -61.418
tors. eta vs tors. theta energy: -65.317
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: 8
=====================================
Write number: 28
Temperature: 1.050000
Total energy: -1007.595331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1007.595331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1007.595331 (E_RNA)
where:
Base-Base interactions energy: -670.213
where: short stacking energy: -309.842
Base-Backbone interact. energy: -1.133
local terms energy: -336.248906
where:
bonds (distance) C4'-P energy: -72.335
bonds (distance) P-C4' energy: -70.026
flat angles C4'-P-C4' energy: -69.636
flat angles P-C4'-P energy: -44.510
tors. eta vs tors. theta energy: -79.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 28
Temperature: 1.100000
Total energy: -829.918794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -829.918794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -829.918794 (E_RNA)
where:
Base-Base interactions energy: -528.036
where: short stacking energy: -259.997
Base-Backbone interact. energy: -1.181
local terms energy: -300.816309
where:
bonds (distance) C4'-P energy: -66.760
bonds (distance) P-C4' energy: -73.729
flat angles C4'-P-C4' energy: -70.754
flat angles P-C4'-P energy: -41.935
tors. eta vs tors. theta energy: -47.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.115 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 28
Temperature: 1.150000
Total energy: -815.469414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -815.469414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -815.469414 (E_RNA)
where:
Base-Base interactions energy: -505.989
where: short stacking energy: -229.605
Base-Backbone interact. energy: 0.686
local terms energy: -310.166867
where:
bonds (distance) C4'-P energy: -77.497
bonds (distance) P-C4' energy: -71.506
flat angles C4'-P-C4' energy: -73.423
flat angles P-C4'-P energy: -46.961
tors. eta vs tors. theta energy: -40.781
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: 7, replica: 4
=====================================
Write number: 28
Temperature: 1.200000
Total energy: -683.987286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -683.987286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -683.987286 (E_RNA)
where:
Base-Base interactions energy: -412.792
where: short stacking energy: -178.651
Base-Backbone interact. energy: -1.382
local terms energy: -269.813811
where:
bonds (distance) C4'-P energy: -65.057
bonds (distance) P-C4' energy: -70.345
flat angles C4'-P-C4' energy: -68.847
flat angles P-C4'-P energy: -34.257
tors. eta vs tors. theta energy: -31.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 28
Temperature: 1.250000
Total energy: -593.015228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -593.015228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -593.015228 (E_RNA)
where:
Base-Base interactions energy: -341.871
where: short stacking energy: -172.205
Base-Backbone interact. energy: 0.898
local terms energy: -252.042305
where:
bonds (distance) C4'-P energy: -73.488
bonds (distance) P-C4' energy: -59.763
flat angles C4'-P-C4' energy: -65.764
flat angles P-C4'-P energy: -40.352
tors. eta vs tors. theta energy: -12.675
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: 9
=====================================
Write number: 28
Temperature: 1.300000
Total energy: -353.103250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.103250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.103250 (E_RNA)
where:
Base-Base interactions energy: -121.600
where: short stacking energy: -98.502
Base-Backbone interact. energy: -0.826
local terms energy: -230.677598
where:
bonds (distance) C4'-P energy: -58.430
bonds (distance) P-C4' energy: -69.696
flat angles C4'-P-C4' energy: -58.597
flat angles P-C4'-P energy: -45.858
tors. eta vs tors. theta energy: 1.903
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: 10, replica: 1
=====================================
Write number: 28
Temperature: 1.350000
Total energy: -323.592415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.592415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.592415 (E_RNA)
where:
Base-Base interactions energy: -104.197
where: short stacking energy: -78.069
Base-Backbone interact. energy: -2.477
local terms energy: -216.918901
where:
bonds (distance) C4'-P energy: -63.465
bonds (distance) P-C4' energy: -67.137
flat angles C4'-P-C4' energy: -66.045
flat angles P-C4'-P energy: -32.583
tors. eta vs tors. theta energy: 12.310
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: 6
=====================================
Write number: 29
Temperature: 0.900000
Total energy: -1138.885801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1138.885801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1138.885801 (E_RNA)
where:
Base-Base interactions energy: -770.605
where: short stacking energy: -340.732
Base-Backbone interact. energy: 1.256
local terms energy: -369.537235
where:
bonds (distance) C4'-P energy: -65.777
bonds (distance) P-C4' energy: -90.886
flat angles C4'-P-C4' energy: -80.555
flat angles P-C4'-P energy: -47.155
tors. eta vs tors. theta energy: -85.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 29
Temperature: 0.950000
Total energy: -1122.359318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1122.359318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1122.359318 (E_RNA)
where:
Base-Base interactions energy: -731.175
where: short stacking energy: -345.762
Base-Backbone interact. energy: 0.569
local terms energy: -391.753363
where:
bonds (distance) C4'-P energy: -72.439
bonds (distance) P-C4' energy: -72.939
flat angles C4'-P-C4' energy: -82.761
flat angles P-C4'-P energy: -60.590
tors. eta vs tors. theta energy: -103.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 29
Temperature: 1.000000
Total energy: -1030.923155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1030.923155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1030.923155 (E_RNA)
where:
Base-Base interactions energy: -685.503
where: short stacking energy: -305.844
Base-Backbone interact. energy: -1.550
local terms energy: -343.870305
where:
bonds (distance) C4'-P energy: -68.441
bonds (distance) P-C4' energy: -74.209
flat angles C4'-P-C4' energy: -78.055
flat angles P-C4'-P energy: -49.775
tors. eta vs tors. theta energy: -73.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 29
Temperature: 1.050000
Total energy: -1076.149676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1076.149676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1076.149676 (E_RNA)
where:
Base-Base interactions energy: -712.632
where: short stacking energy: -306.679
Base-Backbone interact. energy: -0.436
local terms energy: -363.081786
where:
bonds (distance) C4'-P energy: -65.118
bonds (distance) P-C4' energy: -74.833
flat angles C4'-P-C4' energy: -72.346
flat angles P-C4'-P energy: -55.707
tors. eta vs tors. theta energy: -95.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 29
Temperature: 1.100000
Total energy: -819.497827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -819.497827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -819.497827 (E_RNA)
where:
Base-Base interactions energy: -486.506
where: short stacking energy: -250.317
Base-Backbone interact. energy: -0.798
local terms energy: -332.194341
where:
bonds (distance) C4'-P energy: -70.390
bonds (distance) P-C4' energy: -73.143
flat angles C4'-P-C4' energy: -77.043
flat angles P-C4'-P energy: -51.523
tors. eta vs tors. theta energy: -60.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 29
Temperature: 1.150000
Total energy: -805.578108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -805.578108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -805.578108 (E_RNA)
where:
Base-Base interactions energy: -527.691
where: short stacking energy: -252.510
Base-Backbone interact. energy: 1.225
local terms energy: -279.112370
where:
bonds (distance) C4'-P energy: -48.323
bonds (distance) P-C4' energy: -60.344
flat angles C4'-P-C4' energy: -74.496
flat angles P-C4'-P energy: -46.280
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: 7, replica: 4
=====================================
Write number: 29
Temperature: 1.200000
Total energy: -693.290719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -693.290719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -693.290719 (E_RNA)
where:
Base-Base interactions energy: -415.261
where: short stacking energy: -199.538
Base-Backbone interact. energy: -0.889
local terms energy: -277.140444
where:
bonds (distance) C4'-P energy: -61.839
bonds (distance) P-C4' energy: -64.459
flat angles C4'-P-C4' energy: -72.424
flat angles P-C4'-P energy: -43.144
tors. eta vs tors. theta energy: -35.275
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: 29
Temperature: 1.250000
Total energy: -574.828612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -574.828612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -574.828612 (E_RNA)
where:
Base-Base interactions energy: -325.057
where: short stacking energy: -175.150
Base-Backbone interact. energy: 0.361
local terms energy: -250.132632
where:
bonds (distance) C4'-P energy: -62.834
bonds (distance) P-C4' energy: -63.568
flat angles C4'-P-C4' energy: -71.351
flat angles P-C4'-P energy: -31.744
tors. eta vs tors. theta energy: -20.635
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: 9
=====================================
Write number: 29
Temperature: 1.300000
Total energy: -423.678834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.678834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.678834 (E_RNA)
where:
Base-Base interactions energy: -192.231
where: short stacking energy: -125.163
Base-Backbone interact. energy: -1.080
local terms energy: -230.367970
where:
bonds (distance) C4'-P energy: -67.740
bonds (distance) P-C4' energy: -55.891
flat angles C4'-P-C4' energy: -58.745
flat angles P-C4'-P energy: -31.472
tors. eta vs tors. theta energy: -16.519
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: 1
=====================================
Write number: 29
Temperature: 1.350000
Total energy: -406.456799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.456799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.456799 (E_RNA)
where:
Base-Base interactions energy: -192.318
where: short stacking energy: -106.087
Base-Backbone interact. energy: 0.605
local terms energy: -214.743875
where:
bonds (distance) C4'-P energy: -58.390
bonds (distance) P-C4' energy: -72.418
flat angles C4'-P-C4' energy: -67.721
flat angles P-C4'-P energy: -26.970
tors. eta vs tors. theta energy: 10.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 30
Temperature: 0.900000
Total energy: -1173.770168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1173.770168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1173.770168 (E_RNA)
where:
Base-Base interactions energy: -796.190
where: short stacking energy: -342.114
Base-Backbone interact. energy: -5.662
local terms energy: -371.917684
where:
bonds (distance) C4'-P energy: -82.793
bonds (distance) P-C4' energy: -82.844
flat angles C4'-P-C4' energy: -73.085
flat angles P-C4'-P energy: -52.794
tors. eta vs tors. theta energy: -80.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 30
Temperature: 0.950000
Total energy: -1105.204733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1105.204733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1105.204733 (E_RNA)
where:
Base-Base interactions energy: -725.373
where: short stacking energy: -326.658
Base-Backbone interact. energy: 0.618
local terms energy: -380.449808
where:
bonds (distance) C4'-P energy: -78.288
bonds (distance) P-C4' energy: -85.759
flat angles C4'-P-C4' energy: -75.902
flat angles P-C4'-P energy: -50.874
tors. eta vs tors. theta energy: -89.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 30
Temperature: 1.000000
Total energy: -1086.286632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1086.286632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1086.286632 (E_RNA)
where:
Base-Base interactions energy: -715.356
where: short stacking energy: -322.373
Base-Backbone interact. energy: -0.350
local terms energy: -370.580324
where:
bonds (distance) C4'-P energy: -67.502
bonds (distance) P-C4' energy: -83.270
flat angles C4'-P-C4' energy: -78.389
flat angles P-C4'-P energy: -56.557
tors. eta vs tors. theta energy: -84.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 30
Temperature: 1.050000
Total energy: -1006.962381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1006.962381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1006.962381 (E_RNA)
where:
Base-Base interactions energy: -691.016
where: short stacking energy: -301.061
Base-Backbone interact. energy: -0.841
local terms energy: -315.105385
where:
bonds (distance) C4'-P energy: -61.205
bonds (distance) P-C4' energy: -64.619
flat angles C4'-P-C4' energy: -76.274
flat angles P-C4'-P energy: -41.988
tors. eta vs tors. theta energy: -71.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 30
Temperature: 1.100000
Total energy: -848.416566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -848.416566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -848.416566 (E_RNA)
where:
Base-Base interactions energy: -542.891
where: short stacking energy: -255.524
Base-Backbone interact. energy: -2.991
local terms energy: -302.534339
where:
bonds (distance) C4'-P energy: -65.005
bonds (distance) P-C4' energy: -65.070
flat angles C4'-P-C4' energy: -73.818
flat angles P-C4'-P energy: -47.715
tors. eta vs tors. theta energy: -50.926
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: 5
=====================================
Write number: 30
Temperature: 1.150000
Total energy: -788.398698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -788.398698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -788.398698 (E_RNA)
where:
Base-Base interactions energy: -483.744
where: short stacking energy: -209.555
Base-Backbone interact. energy: -0.083
local terms energy: -304.571549
where:
bonds (distance) C4'-P energy: -74.916
bonds (distance) P-C4' energy: -75.347
flat angles C4'-P-C4' energy: -62.186
flat angles P-C4'-P energy: -45.177
tors. eta vs tors. theta energy: -46.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 30
Temperature: 1.200000
Total energy: -565.508547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -565.508547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -565.508547 (E_RNA)
where:
Base-Base interactions energy: -312.510
where: short stacking energy: -152.769
Base-Backbone interact. energy: -1.342
local terms energy: -251.657018
where:
bonds (distance) C4'-P energy: -57.965
bonds (distance) P-C4' energy: -75.794
flat angles C4'-P-C4' energy: -62.011
flat angles P-C4'-P energy: -34.470
tors. eta vs tors. theta energy: -21.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 30
Temperature: 1.250000
Total energy: -501.615263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.615263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.615263 (E_RNA)
where:
Base-Base interactions energy: -252.651
where: short stacking energy: -156.804
Base-Backbone interact. energy: -1.527
local terms energy: -247.437598
where:
bonds (distance) C4'-P energy: -58.090
bonds (distance) P-C4' energy: -67.359
flat angles C4'-P-C4' energy: -67.402
flat angles P-C4'-P energy: -37.885
tors. eta vs tors. theta energy: -16.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 30
Temperature: 1.300000
Total energy: -425.546736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.546736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.546736 (E_RNA)
where:
Base-Base interactions energy: -199.925
where: short stacking energy: -125.249
Base-Backbone interact. energy: -1.913
local terms energy: -223.709170
where:
bonds (distance) C4'-P energy: -60.716
bonds (distance) P-C4' energy: -66.642
flat angles C4'-P-C4' energy: -62.577
flat angles P-C4'-P energy: -29.929
tors. eta vs tors. theta energy: -3.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 30
Temperature: 1.350000
Total energy: -353.492326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.492326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.492326 (E_RNA)
where:
Base-Base interactions energy: -148.228
where: short stacking energy: -94.170
Base-Backbone interact. energy: -0.906
local terms energy: -204.358056
where:
bonds (distance) C4'-P energy: -62.134
bonds (distance) P-C4' energy: -69.695
flat angles C4'-P-C4' energy: -59.339
flat angles P-C4'-P energy: -31.498
tors. eta vs tors. theta energy: 18.308
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: 6
=====================================
Write number: 31
Temperature: 0.900000
Total energy: -1156.142852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1156.142852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1156.142852 (E_RNA)
where:
Base-Base interactions energy: -769.873
where: short stacking energy: -354.633
Base-Backbone interact. energy: -3.422
local terms energy: -382.847933
where:
bonds (distance) C4'-P energy: -74.831
bonds (distance) P-C4' energy: -75.322
flat angles C4'-P-C4' energy: -82.940
flat angles P-C4'-P energy: -50.133
tors. eta vs tors. theta energy: -99.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 31
Temperature: 0.950000
Total energy: -1120.415860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1120.415860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1120.415860 (E_RNA)
where:
Base-Base interactions energy: -743.612
where: short stacking energy: -329.576
Base-Backbone interact. energy: -2.571
local terms energy: -374.232360
where:
bonds (distance) C4'-P energy: -68.315
bonds (distance) P-C4' energy: -77.787
flat angles C4'-P-C4' energy: -87.055
flat angles P-C4'-P energy: -57.208
tors. eta vs tors. theta energy: -83.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 31
Temperature: 1.000000
Total energy: -1109.296417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1109.296417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1109.296417 (E_RNA)
where:
Base-Base interactions energy: -719.819
where: short stacking energy: -328.748
Base-Backbone interact. energy: 1.327
local terms energy: -390.805066
where:
bonds (distance) C4'-P energy: -66.696
bonds (distance) P-C4' energy: -86.276
flat angles C4'-P-C4' energy: -83.497
flat angles P-C4'-P energy: -56.193
tors. eta vs tors. theta energy: -98.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 31
Temperature: 1.050000
Total energy: -952.649253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -952.649253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -952.649253 (E_RNA)
where:
Base-Base interactions energy: -629.012
where: short stacking energy: -277.587
Base-Backbone interact. energy: -3.264
local terms energy: -320.373743
where:
bonds (distance) C4'-P energy: -56.839
bonds (distance) P-C4' energy: -79.640
flat angles C4'-P-C4' energy: -83.699
flat angles P-C4'-P energy: -50.579
tors. eta vs tors. theta energy: -49.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 31
Temperature: 1.100000
Total energy: -855.830174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -855.830174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -855.830174 (E_RNA)
where:
Base-Base interactions energy: -534.415
where: short stacking energy: -259.015
Base-Backbone interact. energy: -0.189
local terms energy: -321.226837
where:
bonds (distance) C4'-P energy: -82.326
bonds (distance) P-C4' energy: -67.129
flat angles C4'-P-C4' energy: -78.610
flat angles P-C4'-P energy: -43.070
tors. eta vs tors. theta energy: -50.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 31
Temperature: 1.150000
Total energy: -814.470926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -814.470926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -814.470926 (E_RNA)
where:
Base-Base interactions energy: -520.733
where: short stacking energy: -242.214
Base-Backbone interact. energy: -2.355
local terms energy: -291.383471
where:
bonds (distance) C4'-P energy: -55.370
bonds (distance) P-C4' energy: -65.654
flat angles C4'-P-C4' energy: -69.424
flat angles P-C4'-P energy: -46.691
tors. eta vs tors. theta energy: -54.246
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: 4
=====================================
Write number: 31
Temperature: 1.200000
Total energy: -594.654993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -594.654993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -594.654993 (E_RNA)
where:
Base-Base interactions energy: -332.738
where: short stacking energy: -156.874
Base-Backbone interact. energy: -0.996
local terms energy: -260.920893
where:
bonds (distance) C4'-P energy: -65.212
bonds (distance) P-C4' energy: -75.139
flat angles C4'-P-C4' energy: -57.037
flat angles P-C4'-P energy: -52.900
tors. eta vs tors. theta energy: -10.632
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: 8, replica: 10
=====================================
Write number: 31
Temperature: 1.250000
Total energy: -574.077107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -574.077107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -574.077107 (E_RNA)
where:
Base-Base interactions energy: -346.499
where: short stacking energy: -187.131
Base-Backbone interact. energy: 1.511
local terms energy: -229.088932
where:
bonds (distance) C4'-P energy: -46.235
bonds (distance) P-C4' energy: -69.440
flat angles C4'-P-C4' energy: -59.400
flat angles P-C4'-P energy: -30.323
tors. eta vs tors. theta energy: -23.691
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: 1
=====================================
Write number: 31
Temperature: 1.300000
Total energy: -440.567569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.567569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.567569 (E_RNA)
where:
Base-Base interactions energy: -216.518
where: short stacking energy: -116.665
Base-Backbone interact. energy: -1.005
local terms energy: -223.043975
where:
bonds (distance) C4'-P energy: -48.084
bonds (distance) P-C4' energy: -56.583
flat angles C4'-P-C4' energy: -67.687
flat angles P-C4'-P energy: -50.171
tors. eta vs tors. theta energy: -0.519
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: 9
=====================================
Write number: 31
Temperature: 1.350000
Total energy: -301.205275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.205275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.205275 (E_RNA)
where:
Base-Base interactions energy: -120.916
where: short stacking energy: -98.428
Base-Backbone interact. energy: 3.788
local terms energy: -184.076781
where:
bonds (distance) C4'-P energy: -62.156
bonds (distance) P-C4' energy: -59.045
flat angles C4'-P-C4' energy: -49.737
flat angles P-C4'-P energy: -24.786
tors. eta vs tors. theta energy: 11.647
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: 1, replica: 8
=====================================
Write number: 32
Temperature: 0.900000
Total energy: -1159.124835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1159.124835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1159.124835 (E_RNA)
where:
Base-Base interactions energy: -768.136
where: short stacking energy: -339.306
Base-Backbone interact. energy: -1.768
local terms energy: -389.220623
where:
bonds (distance) C4'-P energy: -80.023
bonds (distance) P-C4' energy: -74.822
flat angles C4'-P-C4' energy: -87.557
flat angles P-C4'-P energy: -48.108
tors. eta vs tors. theta energy: -98.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 32
Temperature: 0.950000
Total energy: -1146.862265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1146.862265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1146.862265 (E_RNA)
where:
Base-Base interactions energy: -773.782
where: short stacking energy: -345.733
Base-Backbone interact. energy: 0.496
local terms energy: -373.575713
where:
bonds (distance) C4'-P energy: -80.064
bonds (distance) P-C4' energy: -75.261
flat angles C4'-P-C4' energy: -82.600
flat angles P-C4'-P energy: -48.545
tors. eta vs tors. theta energy: -87.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 32
Temperature: 1.000000
Total energy: -1165.687005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1165.687005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1165.687005 (E_RNA)
where:
Base-Base interactions energy: -787.160
where: short stacking energy: -348.369
Base-Backbone interact. energy: 0.805
local terms energy: -379.331897
where:
bonds (distance) C4'-P energy: -72.801
bonds (distance) P-C4' energy: -74.677
flat angles C4'-P-C4' energy: -85.441
flat angles P-C4'-P energy: -52.599
tors. eta vs tors. theta energy: -93.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 32
Temperature: 1.050000
Total energy: -1048.766114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1048.766114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1048.766114 (E_RNA)
where:
Base-Base interactions energy: -680.255
where: short stacking energy: -312.620
Base-Backbone interact. energy: -2.190
local terms energy: -366.321263
where:
bonds (distance) C4'-P energy: -83.969
bonds (distance) P-C4' energy: -82.272
flat angles C4'-P-C4' energy: -75.470
flat angles P-C4'-P energy: -46.978
tors. eta vs tors. theta energy: -77.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 32
Temperature: 1.100000
Total energy: -913.447879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -913.447879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -913.447879 (E_RNA)
where:
Base-Base interactions energy: -603.320
where: short stacking energy: -257.695
Base-Backbone interact. energy: 0.082
local terms energy: -310.210383
where:
bonds (distance) C4'-P energy: -59.441
bonds (distance) P-C4' energy: -71.118
flat angles C4'-P-C4' energy: -65.451
flat angles P-C4'-P energy: -48.107
tors. eta vs tors. theta energy: -66.092
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: 7
=====================================
Write number: 32
Temperature: 1.150000
Total energy: -809.668708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -809.668708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -809.668708 (E_RNA)
where:
Base-Base interactions energy: -502.547
where: short stacking energy: -220.345
Base-Backbone interact. energy: -0.897
local terms energy: -306.224934
where:
bonds (distance) C4'-P energy: -69.516
bonds (distance) P-C4' energy: -76.522
flat angles C4'-P-C4' energy: -74.387
flat angles P-C4'-P energy: -35.036
tors. eta vs tors. theta energy: -50.764
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: 7, replica: 10
=====================================
Write number: 32
Temperature: 1.200000
Total energy: -646.720707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -646.720707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -646.720707 (E_RNA)
where:
Base-Base interactions energy: -356.267
where: short stacking energy: -193.392
Base-Backbone interact. energy: -1.431
local terms energy: -289.023016
where:
bonds (distance) C4'-P energy: -72.595
bonds (distance) P-C4' energy: -68.514
flat angles C4'-P-C4' energy: -71.371
flat angles P-C4'-P energy: -41.943
tors. eta vs tors. theta energy: -34.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 32
Temperature: 1.250000
Total energy: -554.264684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.264684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.264684 (E_RNA)
where:
Base-Base interactions energy: -300.480
where: short stacking energy: -156.592
Base-Backbone interact. energy: -2.554
local terms energy: -251.230928
where:
bonds (distance) C4'-P energy: -62.642
bonds (distance) P-C4' energy: -76.641
flat angles C4'-P-C4' energy: -53.100
flat angles P-C4'-P energy: -42.141
tors. eta vs tors. theta energy: -16.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 32
Temperature: 1.300000
Total energy: -351.768220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.768220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.768220 (E_RNA)
where:
Base-Base interactions energy: -117.396
where: short stacking energy: -113.646
Base-Backbone interact. energy: -0.085
local terms energy: -234.287876
where:
bonds (distance) C4'-P energy: -50.002
bonds (distance) P-C4' energy: -73.080
flat angles C4'-P-C4' energy: -67.838
flat angles P-C4'-P energy: -41.708
tors. eta vs tors. theta energy: -1.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 32
Temperature: 1.350000
Total energy: -338.149353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.149353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.149353 (E_RNA)
where:
Base-Base interactions energy: -156.621
where: short stacking energy: -94.729
Base-Backbone interact. energy: 1.952
local terms energy: -183.480744
where:
bonds (distance) C4'-P energy: -58.609
bonds (distance) P-C4' energy: -55.238
flat angles C4'-P-C4' energy: -47.168
flat angles P-C4'-P energy: -39.866
tors. eta vs tors. theta energy: 17.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 33
Temperature: 0.900000
Total energy: -1170.909283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1170.909283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1170.909283 (E_RNA)
where:
Base-Base interactions energy: -791.264
where: short stacking energy: -370.385
Base-Backbone interact. energy: 1.052
local terms energy: -380.697229
where:
bonds (distance) C4'-P energy: -71.836
bonds (distance) P-C4' energy: -75.190
flat angles C4'-P-C4' energy: -78.128
flat angles P-C4'-P energy: -57.088
tors. eta vs tors. theta energy: -98.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 33
Temperature: 0.950000
Total energy: -1180.865175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1180.865175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1180.865175 (E_RNA)
where:
Base-Base interactions energy: -791.237
where: short stacking energy: -348.378
Base-Backbone interact. energy: -2.869
local terms energy: -386.759292
where:
bonds (distance) C4'-P energy: -75.304
bonds (distance) P-C4' energy: -64.169
flat angles C4'-P-C4' energy: -80.209
flat angles P-C4'-P energy: -70.466
tors. eta vs tors. theta energy: -96.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 33
Temperature: 1.000000
Total energy: -1059.768718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1059.768718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1059.768718 (E_RNA)
where:
Base-Base interactions energy: -714.014
where: short stacking energy: -303.054
Base-Backbone interact. energy: -1.601
local terms energy: -344.153007
where:
bonds (distance) C4'-P energy: -68.861
bonds (distance) P-C4' energy: -75.456
flat angles C4'-P-C4' energy: -82.313
flat angles P-C4'-P energy: -48.026
tors. eta vs tors. theta energy: -69.498
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: 2
=====================================
Write number: 33
Temperature: 1.050000
Total energy: -1081.694369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1081.694369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1081.694369 (E_RNA)
where:
Base-Base interactions energy: -716.415
where: short stacking energy: -313.062
Base-Backbone interact. energy: 0.054
local terms energy: -365.333294
where:
bonds (distance) C4'-P energy: -72.314
bonds (distance) P-C4' energy: -82.149
flat angles C4'-P-C4' energy: -80.787
flat angles P-C4'-P energy: -47.303
tors. eta vs tors. theta energy: -82.781
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: 5, replica: 5
=====================================
Write number: 33
Temperature: 1.100000
Total energy: -937.551354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -937.551354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -937.551354 (E_RNA)
where:
Base-Base interactions energy: -620.413
where: short stacking energy: -263.402
Base-Backbone interact. energy: -2.223
local terms energy: -314.915259
where:
bonds (distance) C4'-P energy: -72.745
bonds (distance) P-C4' energy: -68.681
flat angles C4'-P-C4' energy: -74.329
flat angles P-C4'-P energy: -36.980
tors. eta vs tors. theta energy: -62.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 33
Temperature: 1.150000
Total energy: -798.846653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -798.846653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -798.846653 (E_RNA)
where:
Base-Base interactions energy: -510.641
where: short stacking energy: -261.742
Base-Backbone interact. energy: 0.674
local terms energy: -288.879658
where:
bonds (distance) C4'-P energy: -58.842
bonds (distance) P-C4' energy: -75.105
flat angles C4'-P-C4' energy: -56.459
flat angles P-C4'-P energy: -35.090
tors. eta vs tors. theta energy: -63.384
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: 33
Temperature: 1.200000
Total energy: -725.368816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -725.368816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -725.368816 (E_RNA)
where:
Base-Base interactions energy: -457.198
where: short stacking energy: -226.907
Base-Backbone interact. energy: -1.318
local terms energy: -268.191805
where:
bonds (distance) C4'-P energy: -63.519
bonds (distance) P-C4' energy: -62.166
flat angles C4'-P-C4' energy: -72.977
flat angles P-C4'-P energy: -20.067
tors. eta vs tors. theta energy: -49.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.339 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 33
Temperature: 1.250000
Total energy: -568.787380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -568.787380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -568.787380 (E_RNA)
where:
Base-Base interactions energy: -311.644
where: short stacking energy: -168.397
Base-Backbone interact. energy: -1.813
local terms energy: -255.330636
where:
bonds (distance) C4'-P energy: -78.262
bonds (distance) P-C4' energy: -66.208
flat angles C4'-P-C4' energy: -59.625
flat angles P-C4'-P energy: -34.787
tors. eta vs tors. theta energy: -16.449
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: 9, replica: 9
=====================================
Write number: 33
Temperature: 1.300000
Total energy: -348.265080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.265080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.265080 (E_RNA)
where:
Base-Base interactions energy: -156.605
where: short stacking energy: -106.274
Base-Backbone interact. energy: 1.791
local terms energy: -193.450943
where:
bonds (distance) C4'-P energy: -60.788
bonds (distance) P-C4' energy: -60.985
flat angles C4'-P-C4' energy: -44.042
flat angles P-C4'-P energy: -36.348
tors. eta vs tors. theta energy: 8.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 33
Temperature: 1.350000
Total energy: -323.703298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.703298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.703298 (E_RNA)
where:
Base-Base interactions energy: -129.158
where: short stacking energy: -103.939
Base-Backbone interact. energy: -0.056
local terms energy: -194.489010
where:
bonds (distance) C4'-P energy: -50.630
bonds (distance) P-C4' energy: -51.405
flat angles C4'-P-C4' energy: -57.599
flat angles P-C4'-P energy: -26.837
tors. eta vs tors. theta energy: -8.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 34
Temperature: 0.900000
Total energy: -1193.017109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1193.017109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1193.017109 (E_RNA)
where:
Base-Base interactions energy: -800.869
where: short stacking energy: -372.117
Base-Backbone interact. energy: 0.643
local terms energy: -392.791635
where:
bonds (distance) C4'-P energy: -72.037
bonds (distance) P-C4' energy: -80.256
flat angles C4'-P-C4' energy: -81.828
flat angles P-C4'-P energy: -58.586
tors. eta vs tors. theta energy: -100.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 34
Temperature: 0.950000
Total energy: -1190.989415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1190.989415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1190.989415 (E_RNA)
where:
Base-Base interactions energy: -811.653
where: short stacking energy: -351.895
Base-Backbone interact. energy: -1.164
local terms energy: -378.172501
where:
bonds (distance) C4'-P energy: -78.829
bonds (distance) P-C4' energy: -67.103
flat angles C4'-P-C4' energy: -86.574
flat angles P-C4'-P energy: -52.690
tors. eta vs tors. theta energy: -92.977
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: 3, replica: 2
=====================================
Write number: 34
Temperature: 1.000000
Total energy: -1148.751870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1148.751870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1148.751870 (E_RNA)
where:
Base-Base interactions energy: -784.552
where: short stacking energy: -338.383
Base-Backbone interact. energy: -2.763
local terms energy: -361.436859
where:
bonds (distance) C4'-P energy: -66.891
bonds (distance) P-C4' energy: -77.766
flat angles C4'-P-C4' energy: -81.089
flat angles P-C4'-P energy: -50.753
tors. eta vs tors. theta energy: -84.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 34
Temperature: 1.050000
Total energy: -1067.081886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1067.081886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1067.081886 (E_RNA)
where:
Base-Base interactions energy: -714.606
where: short stacking energy: -320.390
Base-Backbone interact. energy: -4.104
local terms energy: -348.371458
where:
bonds (distance) C4'-P energy: -62.607
bonds (distance) P-C4' energy: -75.316
flat angles C4'-P-C4' energy: -77.579
flat angles P-C4'-P energy: -58.105
tors. eta vs tors. theta energy: -74.764
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: 5
=====================================
Write number: 34
Temperature: 1.100000
Total energy: -927.758336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -927.758336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -927.758336 (E_RNA)
where:
Base-Base interactions energy: -607.235
where: short stacking energy: -267.144
Base-Backbone interact. energy: -1.385
local terms energy: -319.138153
where:
bonds (distance) C4'-P energy: -67.164
bonds (distance) P-C4' energy: -73.173
flat angles C4'-P-C4' energy: -67.923
flat angles P-C4'-P energy: -49.813
tors. eta vs tors. theta energy: -61.064
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: 7
=====================================
Write number: 34
Temperature: 1.150000
Total energy: -814.708596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -814.708596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -814.708596 (E_RNA)
where:
Base-Base interactions energy: -502.229
where: short stacking energy: -231.172
Base-Backbone interact. energy: 2.532
local terms energy: -315.011791
where:
bonds (distance) C4'-P energy: -73.037
bonds (distance) P-C4' energy: -61.985
flat angles C4'-P-C4' energy: -78.746
flat angles P-C4'-P energy: -53.853
tors. eta vs tors. theta energy: -47.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 34
Temperature: 1.200000
Total energy: -743.412799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -743.412799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -743.412799 (E_RNA)
where:
Base-Base interactions energy: -432.736
where: short stacking energy: -210.856
Base-Backbone interact. energy: -1.557
local terms energy: -309.804515
where:
bonds (distance) C4'-P energy: -78.804
bonds (distance) P-C4' energy: -61.809
flat angles C4'-P-C4' energy: -74.395
flat angles P-C4'-P energy: -50.730
tors. eta vs tors. theta energy: -44.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.684 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 34
Temperature: 1.250000
Total energy: -607.309644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -607.309644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -607.309644 (E_RNA)
where:
Base-Base interactions energy: -353.965
where: short stacking energy: -174.580
Base-Backbone interact. energy: -0.860
local terms energy: -252.484594
where:
bonds (distance) C4'-P energy: -61.351
bonds (distance) P-C4' energy: -72.546
flat angles C4'-P-C4' energy: -58.198
flat angles P-C4'-P energy: -41.655
tors. eta vs tors. theta energy: -18.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 34
Temperature: 1.300000
Total energy: -355.319271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.319271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.319271 (E_RNA)
where:
Base-Base interactions energy: -121.689
where: short stacking energy: -111.747
Base-Backbone interact. energy: -1.845
local terms energy: -231.785290
where:
bonds (distance) C4'-P energy: -68.917
bonds (distance) P-C4' energy: -70.821
flat angles C4'-P-C4' energy: -54.990
flat angles P-C4'-P energy: -29.342
tors. eta vs tors. theta energy: -7.716
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: 10, replica: 9
=====================================
Write number: 34
Temperature: 1.350000
Total energy: -309.817340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.817340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.817340 (E_RNA)
where:
Base-Base interactions energy: -129.214
where: short stacking energy: -113.305
Base-Backbone interact. energy: 0.760
local terms energy: -181.363352
where:
bonds (distance) C4'-P energy: -41.161
bonds (distance) P-C4' energy: -52.581
flat angles C4'-P-C4' energy: -61.884
flat angles P-C4'-P energy: -37.954
tors. eta vs tors. theta energy: 12.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 35
Temperature: 0.900000
Total energy: -1174.576933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1174.576933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1174.576933 (E_RNA)
where:
Base-Base interactions energy: -788.096
where: short stacking energy: -354.545
Base-Backbone interact. energy: -2.768
local terms energy: -383.712815
where:
bonds (distance) C4'-P energy: -70.875
bonds (distance) P-C4' energy: -76.452
flat angles C4'-P-C4' energy: -88.446
flat angles P-C4'-P energy: -50.152
tors. eta vs tors. theta energy: -97.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 35
Temperature: 0.950000
Total energy: -1165.555179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1165.555179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1165.555179 (E_RNA)
where:
Base-Base interactions energy: -780.879
where: short stacking energy: -339.488
Base-Backbone interact. energy: -1.541
local terms energy: -383.135869
where:
bonds (distance) C4'-P energy: -65.075
bonds (distance) P-C4' energy: -83.156
flat angles C4'-P-C4' energy: -81.095
flat angles P-C4'-P energy: -53.729
tors. eta vs tors. theta energy: -100.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 35
Temperature: 1.000000
Total energy: -1160.063980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1160.063980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1160.063980 (E_RNA)
where:
Base-Base interactions energy: -787.042
where: short stacking energy: -344.424
Base-Backbone interact. energy: -1.065
local terms energy: -371.956013
where:
bonds (distance) C4'-P energy: -68.559
bonds (distance) P-C4' energy: -79.207
flat angles C4'-P-C4' energy: -83.813
flat angles P-C4'-P energy: -44.997
tors. eta vs tors. theta energy: -95.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 35
Temperature: 1.050000
Total energy: -970.050235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -970.050235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -970.050235 (E_RNA)
where:
Base-Base interactions energy: -610.607
where: short stacking energy: -282.867
Base-Backbone interact. energy: -1.328
local terms energy: -358.114755
where:
bonds (distance) C4'-P energy: -72.788
bonds (distance) P-C4' energy: -77.863
flat angles C4'-P-C4' energy: -79.590
flat angles P-C4'-P energy: -57.424
tors. eta vs tors. theta energy: -70.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 35
Temperature: 1.100000
Total energy: -950.783360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -950.783360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -950.783360 (E_RNA)
where:
Base-Base interactions energy: -641.621
where: short stacking energy: -279.480
Base-Backbone interact. energy: -0.614
local terms energy: -308.547980
where:
bonds (distance) C4'-P energy: -56.356
bonds (distance) P-C4' energy: -70.094
flat angles C4'-P-C4' energy: -65.694
flat angles P-C4'-P energy: -55.131
tors. eta vs tors. theta energy: -61.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 35
Temperature: 1.150000
Total energy: -819.875827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -819.875827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -819.875827 (E_RNA)
where:
Base-Base interactions energy: -521.681
where: short stacking energy: -242.563
Base-Backbone interact. energy: -1.057
local terms energy: -297.137042
where:
bonds (distance) C4'-P energy: -55.015
bonds (distance) P-C4' energy: -74.907
flat angles C4'-P-C4' energy: -66.446
flat angles P-C4'-P energy: -49.832
tors. eta vs tors. theta energy: -50.937
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: 10
=====================================
Write number: 35
Temperature: 1.200000
Total energy: -730.939814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -730.939814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -730.939814 (E_RNA)
where:
Base-Base interactions energy: -449.597
where: short stacking energy: -208.800
Base-Backbone interact. energy: 1.202
local terms energy: -282.545242
where:
bonds (distance) C4'-P energy: -70.043
bonds (distance) P-C4' energy: -63.981
flat angles C4'-P-C4' energy: -61.314
flat angles P-C4'-P energy: -50.067
tors. eta vs tors. theta energy: -37.141
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: 4
=====================================
Write number: 35
Temperature: 1.250000
Total energy: -600.322237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -600.322237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -600.322237 (E_RNA)
where:
Base-Base interactions energy: -330.424
where: short stacking energy: -158.006
Base-Backbone interact. energy: -2.371
local terms energy: -267.527302
where:
bonds (distance) C4'-P energy: -71.512
bonds (distance) P-C4' energy: -76.166
flat angles C4'-P-C4' energy: -74.144
flat angles P-C4'-P energy: -28.564
tors. eta vs tors. theta energy: -17.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 35
Temperature: 1.300000
Total energy: -348.294615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.294615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.294615 (E_RNA)
where:
Base-Base interactions energy: -132.130
where: short stacking energy: -110.253
Base-Backbone interact. energy: 1.247
local terms energy: -217.412065
where:
bonds (distance) C4'-P energy: -70.380
bonds (distance) P-C4' energy: -78.477
flat angles C4'-P-C4' energy: -44.081
flat angles P-C4'-P energy: -32.529
tors. eta vs tors. theta energy: 8.054
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: 9
=====================================
Write number: 35
Temperature: 1.350000
Total energy: -325.786275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.786275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.786275 (E_RNA)
where:
Base-Base interactions energy: -115.145
where: short stacking energy: -112.626
Base-Backbone interact. energy: -0.704
local terms energy: -209.937346
where:
bonds (distance) C4'-P energy: -54.721
bonds (distance) P-C4' energy: -69.830
flat angles C4'-P-C4' energy: -49.722
flat angles P-C4'-P energy: -30.620
tors. eta vs tors. theta energy: -5.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 36
Temperature: 0.900000
Total energy: -1196.183614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1196.183614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1196.183614 (E_RNA)
where:
Base-Base interactions energy: -793.167
where: short stacking energy: -371.634
Base-Backbone interact. energy: -1.951
local terms energy: -401.065513
where:
bonds (distance) C4'-P energy: -77.252
bonds (distance) P-C4' energy: -72.118
flat angles C4'-P-C4' energy: -83.054
flat angles P-C4'-P energy: -59.598
tors. eta vs tors. theta energy: -109.044
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: 2
=====================================
Write number: 36
Temperature: 0.950000
Total energy: -1184.247982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1184.247982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1184.247982 (E_RNA)
where:
Base-Base interactions energy: -807.036
where: short stacking energy: -333.390
Base-Backbone interact. energy: 0.776
local terms energy: -377.988568
where:
bonds (distance) C4'-P energy: -73.431
bonds (distance) P-C4' energy: -76.915
flat angles C4'-P-C4' energy: -78.893
flat angles P-C4'-P energy: -59.569
tors. eta vs tors. theta energy: -89.180
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: 3, replica: 3
=====================================
Write number: 36
Temperature: 1.000000
Total energy: -1171.866296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1171.866296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1171.866296 (E_RNA)
where:
Base-Base interactions energy: -812.759
where: short stacking energy: -369.259
Base-Backbone interact. energy: 1.079
local terms energy: -360.186342
where:
bonds (distance) C4'-P energy: -58.009
bonds (distance) P-C4' energy: -74.739
flat angles C4'-P-C4' energy: -79.762
flat angles P-C4'-P energy: -49.231
tors. eta vs tors. theta energy: -98.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 36
Temperature: 1.050000
Total energy: -991.122876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -991.122876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -991.122876 (E_RNA)
where:
Base-Base interactions energy: -633.317
where: short stacking energy: -280.340
Base-Backbone interact. energy: -2.581
local terms energy: -355.225419
where:
bonds (distance) C4'-P energy: -80.391
bonds (distance) P-C4' energy: -75.094
flat angles C4'-P-C4' energy: -72.107
flat angles P-C4'-P energy: -58.966
tors. eta vs tors. theta energy: -68.667
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: 5
=====================================
Write number: 36
Temperature: 1.100000
Total energy: -981.480727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -981.480727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -981.480727 (E_RNA)
where:
Base-Base interactions energy: -665.528
where: short stacking energy: -281.150
Base-Backbone interact. energy: -3.236
local terms energy: -312.716730
where:
bonds (distance) C4'-P energy: -74.890
bonds (distance) P-C4' energy: -71.928
flat angles C4'-P-C4' energy: -65.178
flat angles P-C4'-P energy: -39.778
tors. eta vs tors. theta energy: -60.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 36
Temperature: 1.150000
Total energy: -846.027584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -846.027584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -846.027584 (E_RNA)
where:
Base-Base interactions energy: -544.874
where: short stacking energy: -225.563
Base-Backbone interact. energy: -1.524
local terms energy: -299.629580
where:
bonds (distance) C4'-P energy: -55.482
bonds (distance) P-C4' energy: -67.972
flat angles C4'-P-C4' energy: -74.885
flat angles P-C4'-P energy: -51.852
tors. eta vs tors. theta energy: -49.439
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: 7, replica: 10
=====================================
Write number: 36
Temperature: 1.200000
Total energy: -763.394083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -763.394083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -763.394083 (E_RNA)
where:
Base-Base interactions energy: -470.848
where: short stacking energy: -227.961
Base-Backbone interact. energy: -0.862
local terms energy: -291.683971
where:
bonds (distance) C4'-P energy: -53.949
bonds (distance) P-C4' energy: -67.429
flat angles C4'-P-C4' energy: -72.810
flat angles P-C4'-P energy: -51.550
tors. eta vs tors. theta energy: -45.946
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: 4
=====================================
Write number: 36
Temperature: 1.250000
Total energy: -604.672230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -604.672230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -604.672230 (E_RNA)
where:
Base-Base interactions energy: -358.105
where: short stacking energy: -171.326
Base-Backbone interact. energy: 0.551
local terms energy: -247.117933
where:
bonds (distance) C4'-P energy: -64.695
bonds (distance) P-C4' energy: -69.470
flat angles C4'-P-C4' energy: -71.904
flat angles P-C4'-P energy: -29.893
tors. eta vs tors. theta energy: -11.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 36
Temperature: 1.300000
Total energy: -339.119203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.119203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.119203 (E_RNA)
where:
Base-Base interactions energy: -117.504
where: short stacking energy: -107.411
Base-Backbone interact. energy: -1.256
local terms energy: -220.359368
where:
bonds (distance) C4'-P energy: -79.697
bonds (distance) P-C4' energy: -73.902
flat angles C4'-P-C4' energy: -38.084
flat angles P-C4'-P energy: -37.635
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: 9
=====================================
Write number: 36
Temperature: 1.350000
Total energy: -331.353790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.353790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.353790 (E_RNA)
where:
Base-Base interactions energy: -110.261
where: short stacking energy: -97.775
Base-Backbone interact. energy: -1.017
local terms energy: -220.076187
where:
bonds (distance) C4'-P energy: -56.306
bonds (distance) P-C4' energy: -70.196
flat angles C4'-P-C4' energy: -66.763
flat angles P-C4'-P energy: -38.545
tors. eta vs tors. theta energy: 11.734
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: 8
=====================================
Write number: 37
Temperature: 0.900000
Total energy: -1206.363884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1206.363884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1206.363884 (E_RNA)
where:
Base-Base interactions energy: -824.732
where: short stacking energy: -364.610
Base-Backbone interact. energy: -0.018
local terms energy: -381.613837
where:
bonds (distance) C4'-P energy: -81.308
bonds (distance) P-C4' energy: -74.375
flat angles C4'-P-C4' energy: -85.281
flat angles P-C4'-P energy: -45.342
tors. eta vs tors. theta energy: -95.308
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: 2, replica: 2
=====================================
Write number: 37
Temperature: 0.950000
Total energy: -1213.441359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1213.441359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1213.441359 (E_RNA)
where:
Base-Base interactions energy: -831.120
where: short stacking energy: -361.566
Base-Backbone interact. energy: -2.825
local terms energy: -379.496659
where:
bonds (distance) C4'-P energy: -70.190
bonds (distance) P-C4' energy: -76.708
flat angles C4'-P-C4' energy: -86.433
flat angles P-C4'-P energy: -49.153
tors. eta vs tors. theta energy: -97.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 37
Temperature: 1.000000
Total energy: -1186.848758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1186.848758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1186.848758 (E_RNA)
where:
Base-Base interactions energy: -807.251
where: short stacking energy: -358.487
Base-Backbone interact. energy: -1.572
local terms energy: -378.025492
where:
bonds (distance) C4'-P energy: -69.601
bonds (distance) P-C4' energy: -84.749
flat angles C4'-P-C4' energy: -79.034
flat angles P-C4'-P energy: -48.992
tors. eta vs tors. theta energy: -95.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 37
Temperature: 1.050000
Total energy: -1019.257575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1019.257575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1019.257575 (E_RNA)
where:
Base-Base interactions energy: -693.518
where: short stacking energy: -288.069
Base-Backbone interact. energy: -2.132
local terms energy: -323.606874
where:
bonds (distance) C4'-P energy: -73.797
bonds (distance) P-C4' energy: -78.781
flat angles C4'-P-C4' energy: -58.664
flat angles P-C4'-P energy: -42.854
tors. eta vs tors. theta energy: -69.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 37
Temperature: 1.100000
Total energy: -954.682640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -954.682640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -954.682640 (E_RNA)
where:
Base-Base interactions energy: -660.265
where: short stacking energy: -248.630
Base-Backbone interact. energy: 1.088
local terms energy: -295.505638
where:
bonds (distance) C4'-P energy: -68.375
bonds (distance) P-C4' energy: -64.456
flat angles C4'-P-C4' energy: -75.657
flat angles P-C4'-P energy: -51.059
tors. eta vs tors. theta energy: -35.958
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: 6, replica: 7
=====================================
Write number: 37
Temperature: 1.150000
Total energy: -822.659804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -822.659804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -822.659804 (E_RNA)
where:
Base-Base interactions energy: -517.120
where: short stacking energy: -262.142
Base-Backbone interact. energy: -1.831
local terms energy: -303.708802
where:
bonds (distance) C4'-P energy: -65.837
bonds (distance) P-C4' energy: -69.198
flat angles C4'-P-C4' energy: -69.976
flat angles P-C4'-P energy: -44.170
tors. eta vs tors. theta energy: -54.528
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: 10
=====================================
Write number: 37
Temperature: 1.200000
Total energy: -788.960432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -788.960432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -788.960432 (E_RNA)
where:
Base-Base interactions energy: -486.561
where: short stacking energy: -231.408
Base-Backbone interact. energy: -0.768
local terms energy: -301.631486
where:
bonds (distance) C4'-P energy: -63.832
bonds (distance) P-C4' energy: -68.699
flat angles C4'-P-C4' energy: -74.920
flat angles P-C4'-P energy: -44.482
tors. eta vs tors. theta energy: -49.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 37
Temperature: 1.250000
Total energy: -631.621423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -631.621423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -631.621423 (E_RNA)
where:
Base-Base interactions energy: -395.496
where: short stacking energy: -177.797
Base-Backbone interact. energy: -1.141
local terms energy: -235.479919
where:
bonds (distance) C4'-P energy: -52.988
bonds (distance) P-C4' energy: -50.336
flat angles C4'-P-C4' energy: -66.005
flat angles P-C4'-P energy: -45.357
tors. eta vs tors. theta energy: -20.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.495 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 37
Temperature: 1.300000
Total energy: -345.327641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.327641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.327641 (E_RNA)
where:
Base-Base interactions energy: -106.720
where: short stacking energy: -103.522
Base-Backbone interact. energy: 2.983
local terms energy: -241.590202
where:
bonds (distance) C4'-P energy: -60.283
bonds (distance) P-C4' energy: -79.342
flat angles C4'-P-C4' energy: -55.864
flat angles P-C4'-P energy: -45.241
tors. eta vs tors. theta energy: -0.860
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: 10, replica: 9
=====================================
Write number: 37
Temperature: 1.350000
Total energy: -317.501335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.501335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.501335 (E_RNA)
where:
Base-Base interactions energy: -106.999
where: short stacking energy: -97.610
Base-Backbone interact. energy: 0.949
local terms energy: -211.450705
where:
bonds (distance) C4'-P energy: -57.140
bonds (distance) P-C4' energy: -67.495
flat angles C4'-P-C4' energy: -45.288
flat angles P-C4'-P energy: -40.883
tors. eta vs tors. theta energy: -0.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 38
Temperature: 0.900000
Total energy: -1255.932535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1255.932535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1255.932535 (E_RNA)
where:
Base-Base interactions energy: -838.394
where: short stacking energy: -358.601
Base-Backbone interact. energy: -0.060
local terms energy: -417.478586
where:
bonds (distance) C4'-P energy: -79.316
bonds (distance) P-C4' energy: -86.008
flat angles C4'-P-C4' energy: -87.231
flat angles P-C4'-P energy: -58.936
tors. eta vs tors. theta energy: -105.988
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: 2, replica: 2
=====================================
Write number: 38
Temperature: 0.950000
Total energy: -1200.286362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1200.286362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1200.286362 (E_RNA)
where:
Base-Base interactions energy: -812.337
where: short stacking energy: -371.065
Base-Backbone interact. energy: -2.035
local terms energy: -385.914829
where:
bonds (distance) C4'-P energy: -72.351
bonds (distance) P-C4' energy: -73.378
flat angles C4'-P-C4' energy: -87.561
flat angles P-C4'-P energy: -53.876
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: 3, replica: 3
=====================================
Write number: 38
Temperature: 1.000000
Total energy: -1199.502232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1199.502232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1199.502232 (E_RNA)
where:
Base-Base interactions energy: -819.839
where: short stacking energy: -349.380
Base-Backbone interact. energy: -1.829
local terms energy: -377.834347
where:
bonds (distance) C4'-P energy: -71.312
bonds (distance) P-C4' energy: -78.207
flat angles C4'-P-C4' energy: -75.773
flat angles P-C4'-P energy: -59.258
tors. eta vs tors. theta energy: -93.285
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: 6
=====================================
Write number: 38
Temperature: 1.050000
Total energy: -1081.845909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1081.845909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1081.845909 (E_RNA)
where:
Base-Base interactions energy: -735.363
where: short stacking energy: -298.652
Base-Backbone interact. energy: -2.856
local terms energy: -343.627262
where:
bonds (distance) C4'-P energy: -71.559
bonds (distance) P-C4' energy: -76.406
flat angles C4'-P-C4' energy: -72.100
flat angles P-C4'-P energy: -44.301
tors. eta vs tors. theta energy: -79.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 38
Temperature: 1.100000
Total energy: -956.187526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -956.187526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -956.187526 (E_RNA)
where:
Base-Base interactions energy: -666.658
where: short stacking energy: -246.716
Base-Backbone interact. energy: 0.246
local terms energy: -289.774941
where:
bonds (distance) C4'-P energy: -70.544
bonds (distance) P-C4' energy: -70.192
flat angles C4'-P-C4' energy: -62.590
flat angles P-C4'-P energy: -38.853
tors. eta vs tors. theta energy: -47.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 38
Temperature: 1.150000
Total energy: -807.049071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -807.049071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -807.049071 (E_RNA)
where:
Base-Base interactions energy: -514.399
where: short stacking energy: -239.413
Base-Backbone interact. energy: 0.403
local terms energy: -293.053093
where:
bonds (distance) C4'-P energy: -70.831
bonds (distance) P-C4' energy: -73.858
flat angles C4'-P-C4' energy: -64.331
flat angles P-C4'-P energy: -41.671
tors. eta vs tors. theta energy: -42.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 38
Temperature: 1.200000
Total energy: -789.401521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -789.401521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -789.401521 (E_RNA)
where:
Base-Base interactions energy: -476.053
where: short stacking energy: -251.936
Base-Backbone interact. energy: -2.083
local terms energy: -311.265276
where:
bonds (distance) C4'-P energy: -58.459
bonds (distance) P-C4' energy: -71.563
flat angles C4'-P-C4' energy: -74.830
flat angles P-C4'-P energy: -52.265
tors. eta vs tors. theta energy: -54.148
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: 4
=====================================
Write number: 38
Temperature: 1.250000
Total energy: -621.048150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -621.048150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -621.048150 (E_RNA)
where:
Base-Base interactions energy: -369.572
where: short stacking energy: -197.379
Base-Backbone interact. energy: 3.529
local terms energy: -255.004378
where:
bonds (distance) C4'-P energy: -64.194
bonds (distance) P-C4' energy: -80.737
flat angles C4'-P-C4' energy: -53.023
flat angles P-C4'-P energy: -24.229
tors. eta vs tors. theta energy: -32.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 38
Temperature: 1.300000
Total energy: -364.880708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.880708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.880708 (E_RNA)
where:
Base-Base interactions energy: -146.352
where: short stacking energy: -115.090
Base-Backbone interact. energy: -0.631
local terms energy: -217.897937
where:
bonds (distance) C4'-P energy: -56.290
bonds (distance) P-C4' energy: -59.860
flat angles C4'-P-C4' energy: -55.484
flat angles P-C4'-P energy: -43.532
tors. eta vs tors. theta energy: -2.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 38
Temperature: 1.350000
Total energy: -374.975449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.975449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.975449 (E_RNA)
where:
Base-Base interactions energy: -168.120
where: short stacking energy: -103.371
Base-Backbone interact. energy: 1.160
local terms energy: -208.014862
where:
bonds (distance) C4'-P energy: -68.964
bonds (distance) P-C4' energy: -50.547
flat angles C4'-P-C4' energy: -53.079
flat angles P-C4'-P energy: -44.680
tors. eta vs tors. theta energy: 9.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 39
Temperature: 0.900000
Total energy: -1219.380232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1219.380232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1219.380232 (E_RNA)
where:
Base-Base interactions energy: -810.225
where: short stacking energy: -369.932
Base-Backbone interact. energy: -1.468
local terms energy: -407.687277
where:
bonds (distance) C4'-P energy: -75.368
bonds (distance) P-C4' energy: -84.429
flat angles C4'-P-C4' energy: -84.549
flat angles P-C4'-P energy: -54.601
tors. eta vs tors. theta energy: -108.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 39
Temperature: 0.950000
Total energy: -1209.656090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1209.656090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1209.656090 (E_RNA)
where:
Base-Base interactions energy: -839.511
where: short stacking energy: -368.323
Base-Backbone interact. energy: -1.713
local terms energy: -368.431675
where:
bonds (distance) C4'-P energy: -67.021
bonds (distance) P-C4' energy: -74.284
flat angles C4'-P-C4' energy: -75.584
flat angles P-C4'-P energy: -52.086
tors. eta vs tors. theta energy: -99.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 39
Temperature: 1.000000
Total energy: -1155.889656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1155.889656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1155.889656 (E_RNA)
where:
Base-Base interactions energy: -785.996
where: short stacking energy: -338.448
Base-Backbone interact. energy: -0.455
local terms energy: -369.437952
where:
bonds (distance) C4'-P energy: -70.617
bonds (distance) P-C4' energy: -76.689
flat angles C4'-P-C4' energy: -71.576
flat angles P-C4'-P energy: -50.330
tors. eta vs tors. theta energy: -100.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 39
Temperature: 1.050000
Total energy: -1046.633598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1046.633598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1046.633598 (E_RNA)
where:
Base-Base interactions energy: -698.767
where: short stacking energy: -285.173
Base-Backbone interact. energy: -2.223
local terms energy: -345.643772
where:
bonds (distance) C4'-P energy: -60.394
bonds (distance) P-C4' energy: -81.409
flat angles C4'-P-C4' energy: -75.839
flat angles P-C4'-P energy: -51.881
tors. eta vs tors. theta energy: -76.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 39
Temperature: 1.100000
Total energy: -942.575982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -942.575982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -942.575982 (E_RNA)
where:
Base-Base interactions energy: -629.368
where: short stacking energy: -257.944
Base-Backbone interact. energy: 0.759
local terms energy: -313.966291
where:
bonds (distance) C4'-P energy: -60.637
bonds (distance) P-C4' energy: -78.276
flat angles C4'-P-C4' energy: -72.161
flat angles P-C4'-P energy: -54.533
tors. eta vs tors. theta energy: -48.360
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: 7
=====================================
Write number: 39
Temperature: 1.150000
Total energy: -861.104913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -861.104913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -861.104913 (E_RNA)
where:
Base-Base interactions energy: -539.838
where: short stacking energy: -274.288
Base-Backbone interact. energy: -3.577
local terms energy: -317.690135
where:
bonds (distance) C4'-P energy: -54.903
bonds (distance) P-C4' energy: -63.554
flat angles C4'-P-C4' energy: -76.343
flat angles P-C4'-P energy: -54.343
tors. eta vs tors. theta energy: -68.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 39
Temperature: 1.200000
Total energy: -788.447670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -788.447670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -788.447670 (E_RNA)
where:
Base-Base interactions energy: -500.315
where: short stacking energy: -232.291
Base-Backbone interact. energy: -1.566
local terms energy: -286.566900
where:
bonds (distance) C4'-P energy: -63.915
bonds (distance) P-C4' energy: -61.458
flat angles C4'-P-C4' energy: -68.825
flat angles P-C4'-P energy: -39.723
tors. eta vs tors. theta energy: -52.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 39
Temperature: 1.250000
Total energy: -623.086003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -623.086003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -623.086003 (E_RNA)
where:
Base-Base interactions energy: -357.100
where: short stacking energy: -184.409
Base-Backbone interact. energy: 1.088
local terms energy: -269.484888
where:
bonds (distance) C4'-P energy: -68.531
bonds (distance) P-C4' energy: -68.666
flat angles C4'-P-C4' energy: -61.701
flat angles P-C4'-P energy: -42.188
tors. eta vs tors. theta energy: -28.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 2.411 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 39
Temperature: 1.300000
Total energy: -345.033501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.033501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.033501 (E_RNA)
where:
Base-Base interactions energy: -136.321
where: short stacking energy: -110.849
Base-Backbone interact. energy: -1.410
local terms energy: -207.302660
where:
bonds (distance) C4'-P energy: -60.084
bonds (distance) P-C4' energy: -67.766
flat angles C4'-P-C4' energy: -52.236
flat angles P-C4'-P energy: -27.734
tors. eta vs tors. theta energy: 0.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 39
Temperature: 1.350000
Total energy: -398.002782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.002782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.002782 (E_RNA)
where:
Base-Base interactions energy: -173.191
where: short stacking energy: -118.154
Base-Backbone interact. energy: -1.720
local terms energy: -223.091915
where:
bonds (distance) C4'-P energy: -79.848
bonds (distance) P-C4' energy: -70.875
flat angles C4'-P-C4' energy: -30.456
flat angles P-C4'-P energy: -41.112
tors. eta vs tors. theta energy: -0.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 40
Temperature: 0.900000
Total energy: -1200.056119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1200.056119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1200.056119 (E_RNA)
where:
Base-Base interactions energy: -815.144
where: short stacking energy: -363.244
Base-Backbone interact. energy: -1.840
local terms energy: -383.138054
where:
bonds (distance) C4'-P energy: -75.151
bonds (distance) P-C4' energy: -75.297
flat angles C4'-P-C4' energy: -81.184
flat angles P-C4'-P energy: -49.694
tors. eta vs tors. theta energy: -101.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.066 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 40
Temperature: 0.950000
Total energy: -1208.481289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1208.481289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1208.481289 (E_RNA)
where:
Base-Base interactions energy: -825.437
where: short stacking energy: -351.325
Base-Backbone interact. energy: -6.276
local terms energy: -376.767794
where:
bonds (distance) C4'-P energy: -68.574
bonds (distance) P-C4' energy: -69.645
flat angles C4'-P-C4' energy: -76.205
flat angles P-C4'-P energy: -60.338
tors. eta vs tors. theta energy: -102.007
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: 2
=====================================
Write number: 40
Temperature: 1.000000
Total energy: -1157.624275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1157.624275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1157.624275 (E_RNA)
where:
Base-Base interactions energy: -785.725
where: short stacking energy: -348.458
Base-Backbone interact. energy: -2.754
local terms energy: -369.145539
where:
bonds (distance) C4'-P energy: -66.666
bonds (distance) P-C4' energy: -80.561
flat angles C4'-P-C4' energy: -83.084
flat angles P-C4'-P energy: -47.429
tors. eta vs tors. theta energy: -91.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 40
Temperature: 1.050000
Total energy: -1029.450766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1029.450766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1029.450766 (E_RNA)
where:
Base-Base interactions energy: -690.527
where: short stacking energy: -307.721
Base-Backbone interact. energy: -2.764
local terms energy: -336.159956
where:
bonds (distance) C4'-P energy: -66.383
bonds (distance) P-C4' energy: -61.323
flat angles C4'-P-C4' energy: -76.884
flat angles P-C4'-P energy: -51.000
tors. eta vs tors. theta energy: -80.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 40
Temperature: 1.100000
Total energy: -992.118065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -992.118065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -992.118065 (E_RNA)
where:
Base-Base interactions energy: -684.707
where: short stacking energy: -264.882
Base-Backbone interact. energy: 0.612
local terms energy: -308.023277
where:
bonds (distance) C4'-P energy: -61.699
bonds (distance) P-C4' energy: -66.657
flat angles C4'-P-C4' energy: -76.266
flat angles P-C4'-P energy: -46.354
tors. eta vs tors. theta energy: -57.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 40
Temperature: 1.150000
Total energy: -845.855658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -845.855658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -845.855658 (E_RNA)
where:
Base-Base interactions energy: -541.416
where: short stacking energy: -262.991
Base-Backbone interact. energy: -0.820
local terms energy: -303.619836
where:
bonds (distance) C4'-P energy: -74.806
bonds (distance) P-C4' energy: -76.594
flat angles C4'-P-C4' energy: -62.788
flat angles P-C4'-P energy: -30.408
tors. eta vs tors. theta energy: -59.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 40
Temperature: 1.200000
Total energy: -763.944046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -763.944046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -763.944046 (E_RNA)
where:
Base-Base interactions energy: -473.500
where: short stacking energy: -221.570
Base-Backbone interact. energy: -0.182
local terms energy: -290.262222
where:
bonds (distance) C4'-P energy: -57.784
bonds (distance) P-C4' energy: -65.549
flat angles C4'-P-C4' energy: -67.952
flat angles P-C4'-P energy: -47.797
tors. eta vs tors. theta energy: -51.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 40
Temperature: 1.250000
Total energy: -609.368659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -609.368659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -609.368659 (E_RNA)
where:
Base-Base interactions energy: -369.217
where: short stacking energy: -182.303
Base-Backbone interact. energy: 0.026
local terms energy: -240.177529
where:
bonds (distance) C4'-P energy: -57.814
bonds (distance) P-C4' energy: -64.120
flat angles C4'-P-C4' energy: -55.201
flat angles P-C4'-P energy: -38.632
tors. eta vs tors. theta energy: -24.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 40
Temperature: 1.300000
Total energy: -437.479368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.479368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.479368 (E_RNA)
where:
Base-Base interactions energy: -193.685
where: short stacking energy: -128.007
Base-Backbone interact. energy: -0.603
local terms energy: -243.191820
where:
bonds (distance) C4'-P energy: -63.066
bonds (distance) P-C4' energy: -77.383
flat angles C4'-P-C4' energy: -56.166
flat angles P-C4'-P energy: -37.701
tors. eta vs tors. theta energy: -8.876
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 40
Temperature: 1.350000
Total energy: -354.738831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.738831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.738831 (E_RNA)
where:
Base-Base interactions energy: -147.529
where: short stacking energy: -116.715
Base-Backbone interact. energy: 0.174
local terms energy: -207.383957
where:
bonds (distance) C4'-P energy: -49.166
bonds (distance) P-C4' energy: -67.951
flat angles C4'-P-C4' energy: -58.649
flat angles P-C4'-P energy: -26.022
tors. eta vs tors. theta energy: -5.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 41
Temperature: 0.900000
Total energy: -1194.256383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1194.256383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1194.256383 (E_RNA)
where:
Base-Base interactions energy: -804.866
where: short stacking energy: -345.630
Base-Backbone interact. energy: -1.584
local terms energy: -387.806099
where:
bonds (distance) C4'-P energy: -80.798
bonds (distance) P-C4' energy: -63.905
flat angles C4'-P-C4' energy: -76.397
flat angles P-C4'-P energy: -56.967
tors. eta vs tors. theta energy: -109.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 41
Temperature: 0.950000
Total energy: -1209.333473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1209.333473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1209.333473 (E_RNA)
where:
Base-Base interactions energy: -838.511
where: short stacking energy: -361.150
Base-Backbone interact. energy: -2.038
local terms energy: -368.784069
where:
bonds (distance) C4'-P energy: -81.259
bonds (distance) P-C4' energy: -67.776
flat angles C4'-P-C4' energy: -62.816
flat angles P-C4'-P energy: -65.214
tors. eta vs tors. theta energy: -91.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 41
Temperature: 1.000000
Total energy: -1149.099951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1149.099951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1149.099951 (E_RNA)
where:
Base-Base interactions energy: -784.817
where: short stacking energy: -335.349
Base-Backbone interact. energy: 0.033
local terms energy: -364.315296
where:
bonds (distance) C4'-P energy: -76.726
bonds (distance) P-C4' energy: -65.290
flat angles C4'-P-C4' energy: -83.275
flat angles P-C4'-P energy: -53.877
tors. eta vs tors. theta energy: -85.146
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: 6
=====================================
Write number: 41
Temperature: 1.050000
Total energy: -1030.597641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1030.597641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1030.597641 (E_RNA)
where:
Base-Base interactions energy: -698.514
where: short stacking energy: -295.997
Base-Backbone interact. energy: -1.926
local terms energy: -330.157063
where:
bonds (distance) C4'-P energy: -60.740
bonds (distance) P-C4' energy: -73.403
flat angles C4'-P-C4' energy: -76.250
flat angles P-C4'-P energy: -46.672
tors. eta vs tors. theta energy: -73.092
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: 5
=====================================
Write number: 41
Temperature: 1.100000
Total energy: -973.312929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -973.312929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -973.312929 (E_RNA)
where:
Base-Base interactions energy: -688.489
where: short stacking energy: -282.389
Base-Backbone interact. energy: 1.512
local terms energy: -286.335053
where:
bonds (distance) C4'-P energy: -53.448
bonds (distance) P-C4' energy: -64.006
flat angles C4'-P-C4' energy: -69.853
flat angles P-C4'-P energy: -42.087
tors. eta vs tors. theta energy: -56.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 41
Temperature: 1.150000
Total energy: -849.312406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -849.312406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -849.312406 (E_RNA)
where:
Base-Base interactions energy: -532.497
where: short stacking energy: -256.615
Base-Backbone interact. energy: -0.783
local terms energy: -316.031623
where:
bonds (distance) C4'-P energy: -60.694
bonds (distance) P-C4' energy: -61.978
flat angles C4'-P-C4' energy: -74.232
flat angles P-C4'-P energy: -55.791
tors. eta vs tors. theta energy: -63.336
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: 7, replica: 7
=====================================
Write number: 41
Temperature: 1.200000
Total energy: -791.240226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -791.240226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -791.240226 (E_RNA)
where:
Base-Base interactions energy: -495.698
where: short stacking energy: -238.771
Base-Backbone interact. energy: -0.963
local terms energy: -294.579229
where:
bonds (distance) C4'-P energy: -50.640
bonds (distance) P-C4' energy: -63.941
flat angles C4'-P-C4' energy: -69.032
flat angles P-C4'-P energy: -48.870
tors. eta vs tors. theta energy: -62.097
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: 41
Temperature: 1.250000
Total energy: -593.607579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -593.607579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -593.607579 (E_RNA)
where:
Base-Base interactions energy: -349.706
where: short stacking energy: -156.731
Base-Backbone interact. energy: 4.744
local terms energy: -248.645252
where:
bonds (distance) C4'-P energy: -68.569
bonds (distance) P-C4' energy: -61.192
flat angles C4'-P-C4' energy: -58.543
flat angles P-C4'-P energy: -36.765
tors. eta vs tors. theta energy: -23.576
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: 9, replica: 9
=====================================
Write number: 41
Temperature: 1.300000
Total energy: -483.441695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.441695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.441695 (E_RNA)
where:
Base-Base interactions energy: -255.019
where: short stacking energy: -142.676
Base-Backbone interact. energy: -0.873
local terms energy: -227.549507
where:
bonds (distance) C4'-P energy: -53.739
bonds (distance) P-C4' energy: -68.327
flat angles C4'-P-C4' energy: -66.141
flat angles P-C4'-P energy: -30.892
tors. eta vs tors. theta energy: -8.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 41
Temperature: 1.350000
Total energy: -309.549007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.549007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.549007 (E_RNA)
where:
Base-Base interactions energy: -107.431
where: short stacking energy: -83.273
Base-Backbone interact. energy: -1.293
local terms energy: -200.825133
where:
bonds (distance) C4'-P energy: -62.812
bonds (distance) P-C4' energy: -76.773
flat angles C4'-P-C4' energy: -50.356
flat angles P-C4'-P energy: -26.140
tors. eta vs tors. theta energy: 15.255
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: 3
=====================================
Write number: 42
Temperature: 0.900000
Total energy: -1243.766280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1243.766280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1243.766280 (E_RNA)
where:
Base-Base interactions energy: -832.339
where: short stacking energy: -378.404
Base-Backbone interact. energy: -0.179
local terms energy: -411.248481
where:
bonds (distance) C4'-P energy: -75.331
bonds (distance) P-C4' energy: -84.873
flat angles C4'-P-C4' energy: -81.853
flat angles P-C4'-P energy: -59.525
tors. eta vs tors. theta energy: -109.667
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: 8
=====================================
Write number: 42
Temperature: 0.950000
Total energy: -1169.622576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1169.622576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1169.622576 (E_RNA)
where:
Base-Base interactions energy: -796.603
where: short stacking energy: -356.996
Base-Backbone interact. energy: -1.731
local terms energy: -371.288647
where:
bonds (distance) C4'-P energy: -71.143
bonds (distance) P-C4' energy: -64.137
flat angles C4'-P-C4' energy: -87.133
flat angles P-C4'-P energy: -46.300
tors. eta vs tors. theta energy: -102.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 42
Temperature: 1.000000
Total energy: -1160.755413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1160.755413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1160.755413 (E_RNA)
where:
Base-Base interactions energy: -783.133
where: short stacking energy: -363.960
Base-Backbone interact. energy: -2.416
local terms energy: -375.206663
where:
bonds (distance) C4'-P energy: -65.419
bonds (distance) P-C4' energy: -73.498
flat angles C4'-P-C4' energy: -84.463
flat angles P-C4'-P energy: -43.247
tors. eta vs tors. theta energy: -108.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 42
Temperature: 1.050000
Total energy: -1030.956409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1030.956409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1030.956409 (E_RNA)
where:
Base-Base interactions energy: -669.032
where: short stacking energy: -287.740
Base-Backbone interact. energy: -1.273
local terms energy: -360.651812
where:
bonds (distance) C4'-P energy: -79.762
bonds (distance) P-C4' energy: -68.637
flat angles C4'-P-C4' energy: -86.983
flat angles P-C4'-P energy: -49.235
tors. eta vs tors. theta energy: -76.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 42
Temperature: 1.100000
Total energy: -963.842331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -963.842331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -963.842331 (E_RNA)
where:
Base-Base interactions energy: -640.109
where: short stacking energy: -261.476
Base-Backbone interact. energy: -1.304
local terms energy: -322.429266
where:
bonds (distance) C4'-P energy: -73.730
bonds (distance) P-C4' energy: -80.424
flat angles C4'-P-C4' energy: -68.436
flat angles P-C4'-P energy: -39.043
tors. eta vs tors. theta energy: -60.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 42
Temperature: 1.150000
Total energy: -812.823676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -812.823676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -812.823676 (E_RNA)
where:
Base-Base interactions energy: -494.254
where: short stacking energy: -246.971
Base-Backbone interact. energy: 2.980
local terms energy: -321.549643
where:
bonds (distance) C4'-P energy: -80.366
bonds (distance) P-C4' energy: -67.950
flat angles C4'-P-C4' energy: -76.218
flat angles P-C4'-P energy: -52.138
tors. eta vs tors. theta energy: -44.877
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: 7, replica: 7
=====================================
Write number: 42
Temperature: 1.200000
Total energy: -821.621244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -821.621244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -821.621244 (E_RNA)
where:
Base-Base interactions energy: -534.168
where: short stacking energy: -234.673
Base-Backbone interact. energy: 0.410
local terms energy: -287.863102
where:
bonds (distance) C4'-P energy: -56.090
bonds (distance) P-C4' energy: -67.011
flat angles C4'-P-C4' energy: -71.305
flat angles P-C4'-P energy: -42.128
tors. eta vs tors. theta energy: -51.328
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: 4
=====================================
Write number: 42
Temperature: 1.250000
Total energy: -649.417517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -649.417517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -649.417517 (E_RNA)
where:
Base-Base interactions energy: -390.292
where: short stacking energy: -183.952
Base-Backbone interact. energy: 4.794
local terms energy: -263.919232
where:
bonds (distance) C4'-P energy: -69.262
bonds (distance) P-C4' energy: -69.071
flat angles C4'-P-C4' energy: -53.729
flat angles P-C4'-P energy: -40.268
tors. eta vs tors. theta energy: -31.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 42
Temperature: 1.300000
Total energy: -430.634178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.634178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.634178 (E_RNA)
where:
Base-Base interactions energy: -189.497
where: short stacking energy: -123.346
Base-Backbone interact. energy: -1.758
local terms energy: -239.378573
where:
bonds (distance) C4'-P energy: -73.692
bonds (distance) P-C4' energy: -60.196
flat angles C4'-P-C4' energy: -68.525
flat angles P-C4'-P energy: -26.330
tors. eta vs tors. theta energy: -10.636
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: 1
=====================================
Write number: 42
Temperature: 1.350000
Total energy: -318.447371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.447371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.447371 (E_RNA)
where:
Base-Base interactions energy: -102.646
where: short stacking energy: -69.295
Base-Backbone interact. energy: -1.276
local terms energy: -214.524976
where:
bonds (distance) C4'-P energy: -71.418
bonds (distance) P-C4' energy: -68.556
flat angles C4'-P-C4' energy: -55.035
flat angles P-C4'-P energy: -39.731
tors. eta vs tors. theta energy: 20.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 43
Temperature: 0.900000
Total energy: -1243.108422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1243.108422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1243.108422 (E_RNA)
where:
Base-Base interactions energy: -838.711
where: short stacking energy: -378.018
Base-Backbone interact. energy: -0.369
local terms energy: -404.027463
where:
bonds (distance) C4'-P energy: -74.637
bonds (distance) P-C4' energy: -74.915
flat angles C4'-P-C4' energy: -87.410
flat angles P-C4'-P energy: -69.142
tors. eta vs tors. theta energy: -97.923
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: 2
=====================================
Write number: 43
Temperature: 0.950000
Total energy: -1200.491768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1200.491768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1200.491768 (E_RNA)
where:
Base-Base interactions energy: -814.222
where: short stacking energy: -355.667
Base-Backbone interact. energy: -2.634
local terms energy: -383.636092
where:
bonds (distance) C4'-P energy: -72.101
bonds (distance) P-C4' energy: -73.236
flat angles C4'-P-C4' energy: -80.740
flat angles P-C4'-P energy: -62.296
tors. eta vs tors. theta energy: -95.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 43
Temperature: 1.000000
Total energy: -1139.505869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1139.505869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1139.505869 (E_RNA)
where:
Base-Base interactions energy: -765.959
where: short stacking energy: -341.476
Base-Backbone interact. energy: -0.193
local terms energy: -374.997237
where:
bonds (distance) C4'-P energy: -79.114
bonds (distance) P-C4' energy: -67.160
flat angles C4'-P-C4' energy: -85.312
flat angles P-C4'-P energy: -42.111
tors. eta vs tors. theta energy: -101.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.643 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 43
Temperature: 1.050000
Total energy: -1027.872500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1027.872500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1027.872500 (E_RNA)
where:
Base-Base interactions energy: -690.366
where: short stacking energy: -300.360
Base-Backbone interact. energy: -2.249
local terms energy: -335.257629
where:
bonds (distance) C4'-P energy: -67.584
bonds (distance) P-C4' energy: -69.489
flat angles C4'-P-C4' energy: -76.265
flat angles P-C4'-P energy: -55.189
tors. eta vs tors. theta energy: -66.731
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: 6
=====================================
Write number: 43
Temperature: 1.100000
Total energy: -984.799865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -984.799865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -984.799865 (E_RNA)
where:
Base-Base interactions energy: -653.324
where: short stacking energy: -265.602
Base-Backbone interact. energy: 0.802
local terms energy: -332.277138
where:
bonds (distance) C4'-P energy: -76.595
bonds (distance) P-C4' energy: -65.878
flat angles C4'-P-C4' energy: -82.826
flat angles P-C4'-P energy: -43.716
tors. eta vs tors. theta energy: -63.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 43
Temperature: 1.150000
Total energy: -867.024521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -867.024521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -867.024521 (E_RNA)
where:
Base-Base interactions energy: -541.999
where: short stacking energy: -249.342
Base-Backbone interact. energy: -2.685
local terms energy: -322.340272
where:
bonds (distance) C4'-P energy: -83.132
bonds (distance) P-C4' energy: -64.465
flat angles C4'-P-C4' energy: -76.271
flat angles P-C4'-P energy: -38.023
tors. eta vs tors. theta energy: -60.448
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: 10
=====================================
Write number: 43
Temperature: 1.200000
Total energy: -799.788677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -799.788677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -799.788677 (E_RNA)
where:
Base-Base interactions energy: -499.587
where: short stacking energy: -240.559
Base-Backbone interact. energy: 7.163
local terms energy: -307.364754
where:
bonds (distance) C4'-P energy: -56.986
bonds (distance) P-C4' energy: -77.083
flat angles C4'-P-C4' energy: -69.667
flat angles P-C4'-P energy: -40.162
tors. eta vs tors. theta energy: -63.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 43
Temperature: 1.250000
Total energy: -610.566122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -610.566122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -610.566122 (E_RNA)
where:
Base-Base interactions energy: -365.035
where: short stacking energy: -174.234
Base-Backbone interact. energy: -0.748
local terms energy: -244.783169
where:
bonds (distance) C4'-P energy: -64.684
bonds (distance) P-C4' energy: -52.206
flat angles C4'-P-C4' energy: -84.183
flat angles P-C4'-P energy: -29.823
tors. eta vs tors. theta energy: -13.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 43
Temperature: 1.300000
Total energy: -407.369259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.369259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.369259 (E_RNA)
where:
Base-Base interactions energy: -192.162
where: short stacking energy: -121.520
Base-Backbone interact. energy: -2.487
local terms energy: -212.719988
where:
bonds (distance) C4'-P energy: -64.839
bonds (distance) P-C4' energy: -63.836
flat angles C4'-P-C4' energy: -49.856
flat angles P-C4'-P energy: -34.459
tors. eta vs tors. theta energy: 0.270
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: 1
=====================================
Write number: 43
Temperature: 1.350000
Total energy: -391.450851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.450851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.450851 (E_RNA)
where:
Base-Base interactions energy: -194.410
where: short stacking energy: -133.589
Base-Backbone interact. energy: -0.365
local terms energy: -196.676449
where:
bonds (distance) C4'-P energy: -67.853
bonds (distance) P-C4' energy: -59.595
flat angles C4'-P-C4' energy: -50.753
flat angles P-C4'-P energy: -14.462
tors. eta vs tors. theta energy: -4.014
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: 3
=====================================
Write number: 44
Temperature: 0.900000
Total energy: -1239.801428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1239.801428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1239.801428 (E_RNA)
where:
Base-Base interactions energy: -827.261
where: short stacking energy: -366.964
Base-Backbone interact. energy: -2.536
local terms energy: -410.004176
where:
bonds (distance) C4'-P energy: -72.224
bonds (distance) P-C4' energy: -89.952
flat angles C4'-P-C4' energy: -85.712
flat angles P-C4'-P energy: -57.585
tors. eta vs tors. theta energy: -104.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 44
Temperature: 0.950000
Total energy: -1183.574345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1183.574345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1183.574345 (E_RNA)
where:
Base-Base interactions energy: -784.912
where: short stacking energy: -338.243
Base-Backbone interact. energy: -1.794
local terms energy: -396.868447
where:
bonds (distance) C4'-P energy: -73.970
bonds (distance) P-C4' energy: -78.735
flat angles C4'-P-C4' energy: -92.108
flat angles P-C4'-P energy: -56.739
tors. eta vs tors. theta energy: -95.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 44
Temperature: 1.000000
Total energy: -1147.480034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1147.480034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1147.480034 (E_RNA)
where:
Base-Base interactions energy: -753.493
where: short stacking energy: -369.998
Base-Backbone interact. energy: -1.218
local terms energy: -392.769465
where:
bonds (distance) C4'-P energy: -71.708
bonds (distance) P-C4' energy: -72.299
flat angles C4'-P-C4' energy: -86.786
flat angles P-C4'-P energy: -52.958
tors. eta vs tors. theta energy: -109.018
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: 4, replica: 5
=====================================
Write number: 44
Temperature: 1.050000
Total energy: -1092.449669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1092.449669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1092.449669 (E_RNA)
where:
Base-Base interactions energy: -740.495
where: short stacking energy: -289.672
Base-Backbone interact. energy: -3.616
local terms energy: -348.339175
where:
bonds (distance) C4'-P energy: -73.770
bonds (distance) P-C4' energy: -78.344
flat angles C4'-P-C4' energy: -77.952
flat angles P-C4'-P energy: -48.122
tors. eta vs tors. theta energy: -70.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 44
Temperature: 1.100000
Total energy: -978.224305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -978.224305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -978.224305 (E_RNA)
where:
Base-Base interactions energy: -653.025
where: short stacking energy: -284.225
Base-Backbone interact. energy: -1.831
local terms energy: -323.368058
where:
bonds (distance) C4'-P energy: -67.163
bonds (distance) P-C4' energy: -77.471
flat angles C4'-P-C4' energy: -64.863
flat angles P-C4'-P energy: -44.818
tors. eta vs tors. theta energy: -69.052
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: 7
=====================================
Write number: 44
Temperature: 1.150000
Total energy: -861.452997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -861.452997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -861.452997 (E_RNA)
where:
Base-Base interactions energy: -535.637
where: short stacking energy: -256.038
Base-Backbone interact. energy: -1.725
local terms energy: -324.090738
where:
bonds (distance) C4'-P energy: -64.617
bonds (distance) P-C4' energy: -65.693
flat angles C4'-P-C4' energy: -80.173
flat angles P-C4'-P energy: -51.227
tors. eta vs tors. theta energy: -62.380
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: 44
Temperature: 1.200000
Total energy: -790.909973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -790.909973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -790.909973 (E_RNA)
where:
Base-Base interactions energy: -501.947
where: short stacking energy: -263.018
Base-Backbone interact. energy: -1.140
local terms energy: -287.822418
where:
bonds (distance) C4'-P energy: -47.894
bonds (distance) P-C4' energy: -67.334
flat angles C4'-P-C4' energy: -64.930
flat angles P-C4'-P energy: -37.753
tors. eta vs tors. theta energy: -69.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 44
Temperature: 1.250000
Total energy: -652.441956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -652.441956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -652.441956 (E_RNA)
where:
Base-Base interactions energy: -385.093
where: short stacking energy: -184.784
Base-Backbone interact. energy: 0.119
local terms energy: -267.467149
where:
bonds (distance) C4'-P energy: -62.621
bonds (distance) P-C4' energy: -63.166
flat angles C4'-P-C4' energy: -75.678
flat angles P-C4'-P energy: -39.417
tors. eta vs tors. theta energy: -26.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 44
Temperature: 1.300000
Total energy: -418.294731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.294731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.294731 (E_RNA)
where:
Base-Base interactions energy: -198.947
where: short stacking energy: -132.725
Base-Backbone interact. energy: -1.433
local terms energy: -217.915013
where:
bonds (distance) C4'-P energy: -48.429
bonds (distance) P-C4' energy: -78.279
flat angles C4'-P-C4' energy: -67.232
flat angles P-C4'-P energy: -19.526
tors. eta vs tors. theta energy: -4.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 44
Temperature: 1.350000
Total energy: -420.993526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.993526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.993526 (E_RNA)
where:
Base-Base interactions energy: -205.129
where: short stacking energy: -128.404
Base-Backbone interact. energy: 0.607
local terms energy: -216.471958
where:
bonds (distance) C4'-P energy: -54.957
bonds (distance) P-C4' energy: -66.219
flat angles C4'-P-C4' energy: -58.703
flat angles P-C4'-P energy: -31.869
tors. eta vs tors. theta energy: -4.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 45
Temperature: 0.900000
Total energy: -1236.712920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1236.712920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1236.712920 (E_RNA)
where:
Base-Base interactions energy: -829.642
where: short stacking energy: -378.905
Base-Backbone interact. energy: -2.844
local terms energy: -404.227785
where:
bonds (distance) C4'-P energy: -76.118
bonds (distance) P-C4' energy: -81.397
flat angles C4'-P-C4' energy: -83.392
flat angles P-C4'-P energy: -52.883
tors. eta vs tors. theta energy: -110.438
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: 2
=====================================
Write number: 45
Temperature: 0.950000
Total energy: -1200.700720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1200.700720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1200.700720 (E_RNA)
where:
Base-Base interactions energy: -829.984
where: short stacking energy: -365.487
Base-Backbone interact. energy: -3.268
local terms energy: -367.448384
where:
bonds (distance) C4'-P energy: -62.238
bonds (distance) P-C4' energy: -71.286
flat angles C4'-P-C4' energy: -82.375
flat angles P-C4'-P energy: -56.672
tors. eta vs tors. theta energy: -94.877
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: 3, replica: 8
=====================================
Write number: 45
Temperature: 1.000000
Total energy: -1113.119617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1113.119617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1113.119617 (E_RNA)
where:
Base-Base interactions energy: -730.988
where: short stacking energy: -345.472
Base-Backbone interact. energy: -0.578
local terms energy: -381.554073
where:
bonds (distance) C4'-P energy: -63.805
bonds (distance) P-C4' energy: -74.266
flat angles C4'-P-C4' energy: -84.408
flat angles P-C4'-P energy: -60.173
tors. eta vs tors. theta energy: -98.902
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: 5
=====================================
Write number: 45
Temperature: 1.050000
Total energy: -1043.996960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1043.996960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1043.996960 (E_RNA)
where:
Base-Base interactions energy: -719.812
where: short stacking energy: -282.596
Base-Backbone interact. energy: -3.469
local terms energy: -320.715103
where:
bonds (distance) C4'-P energy: -57.403
bonds (distance) P-C4' energy: -77.451
flat angles C4'-P-C4' energy: -73.171
flat angles P-C4'-P energy: -46.341
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: 5, replica: 6
=====================================
Write number: 45
Temperature: 1.100000
Total energy: -1063.056550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1063.056550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1063.056550 (E_RNA)
where:
Base-Base interactions energy: -718.771
where: short stacking energy: -317.018
Base-Backbone interact. energy: 0.570
local terms energy: -344.856223
where:
bonds (distance) C4'-P energy: -75.059
bonds (distance) P-C4' energy: -58.849
flat angles C4'-P-C4' energy: -79.658
flat angles P-C4'-P energy: -46.831
tors. eta vs tors. theta energy: -84.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 45
Temperature: 1.150000
Total energy: -813.933072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -813.933072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -813.933072 (E_RNA)
where:
Base-Base interactions energy: -498.949
where: short stacking energy: -257.914
Base-Backbone interact. energy: -0.882
local terms energy: -314.102367
where:
bonds (distance) C4'-P energy: -59.209
bonds (distance) P-C4' energy: -75.381
flat angles C4'-P-C4' energy: -75.005
flat angles P-C4'-P energy: -45.893
tors. eta vs tors. theta energy: -58.615
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: 7
=====================================
Write number: 45
Temperature: 1.200000
Total energy: -823.704492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -823.704492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -823.704492 (E_RNA)
where:
Base-Base interactions energy: -527.120
where: short stacking energy: -238.937
Base-Backbone interact. energy: 0.404
local terms energy: -296.988549
where:
bonds (distance) C4'-P energy: -71.799
bonds (distance) P-C4' energy: -68.899
flat angles C4'-P-C4' energy: -59.222
flat angles P-C4'-P energy: -41.567
tors. eta vs tors. theta energy: -55.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 45
Temperature: 1.250000
Total energy: -637.975618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -637.975618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -637.975618 (E_RNA)
where:
Base-Base interactions energy: -379.911
where: short stacking energy: -189.585
Base-Backbone interact. energy: -1.283
local terms energy: -256.781855
where:
bonds (distance) C4'-P energy: -56.473
bonds (distance) P-C4' energy: -52.394
flat angles C4'-P-C4' energy: -64.164
flat angles P-C4'-P energy: -45.079
tors. eta vs tors. theta energy: -38.671
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: 9
=====================================
Write number: 45
Temperature: 1.300000
Total energy: -482.426697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.426697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.426697 (E_RNA)
where:
Base-Base interactions energy: -231.480
where: short stacking energy: -131.449
Base-Backbone interact. energy: -0.992
local terms energy: -249.954785
where:
bonds (distance) C4'-P energy: -62.207
bonds (distance) P-C4' energy: -78.131
flat angles C4'-P-C4' energy: -71.854
flat angles P-C4'-P energy: -27.360
tors. eta vs tors. theta energy: -10.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 45
Temperature: 1.350000
Total energy: -413.015289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.015289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.015289 (E_RNA)
where:
Base-Base interactions energy: -224.260
where: short stacking energy: -119.307
Base-Backbone interact. energy: 0.162
local terms energy: -188.917640
where:
bonds (distance) C4'-P energy: -61.785
bonds (distance) P-C4' energy: -49.905
flat angles C4'-P-C4' energy: -58.901
flat angles P-C4'-P energy: -17.211
tors. eta vs tors. theta energy: -1.116
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: 1, replica: 3
=====================================
Write number: 46
Temperature: 0.900000
Total energy: -1261.542127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1261.542127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1261.542127 (E_RNA)
where:
Base-Base interactions energy: -843.194
where: short stacking energy: -378.184
Base-Backbone interact. energy: -2.565
local terms energy: -415.782857
where:
bonds (distance) C4'-P energy: -79.625
bonds (distance) P-C4' energy: -84.771
flat angles C4'-P-C4' energy: -81.963
flat angles P-C4'-P energy: -58.703
tors. eta vs tors. theta energy: -110.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 46
Temperature: 0.950000
Total energy: -1186.979916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1186.979916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1186.979916 (E_RNA)
where:
Base-Base interactions energy: -807.223
where: short stacking energy: -365.581
Base-Backbone interact. energy: -4.594
local terms energy: -375.162393
where:
bonds (distance) C4'-P energy: -79.027
bonds (distance) P-C4' energy: -60.770
flat angles C4'-P-C4' energy: -80.446
flat angles P-C4'-P energy: -53.546
tors. eta vs tors. theta energy: -101.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 46
Temperature: 1.000000
Total energy: -1106.544073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1106.544073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1106.544073 (E_RNA)
where:
Base-Base interactions energy: -736.513
where: short stacking energy: -338.487
Base-Backbone interact. energy: -1.662
local terms energy: -368.369180
where:
bonds (distance) C4'-P energy: -80.378
bonds (distance) P-C4' energy: -73.277
flat angles C4'-P-C4' energy: -79.270
flat angles P-C4'-P energy: -52.156
tors. eta vs tors. theta energy: -83.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 46
Temperature: 1.050000
Total energy: -1063.428690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1063.428690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1063.428690 (E_RNA)
where:
Base-Base interactions energy: -727.752
where: short stacking energy: -311.440
Base-Backbone interact. energy: 1.669
local terms energy: -337.346040
where:
bonds (distance) C4'-P energy: -73.871
bonds (distance) P-C4' energy: -80.835
flat angles C4'-P-C4' energy: -72.995
flat angles P-C4'-P energy: -41.239
tors. eta vs tors. theta energy: -68.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 46
Temperature: 1.100000
Total energy: -1021.742465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1021.742465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1021.742465 (E_RNA)
where:
Base-Base interactions energy: -665.746
where: short stacking energy: -311.100
Base-Backbone interact. energy: -3.002
local terms energy: -352.995109
where:
bonds (distance) C4'-P energy: -72.075
bonds (distance) P-C4' energy: -74.793
flat angles C4'-P-C4' energy: -82.458
flat angles P-C4'-P energy: -44.600
tors. eta vs tors. theta energy: -79.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 46
Temperature: 1.150000
Total energy: -830.320840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -830.320840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -830.320840 (E_RNA)
where:
Base-Base interactions energy: -515.691
where: short stacking energy: -240.034
Base-Backbone interact. energy: 2.805
local terms energy: -317.434105
where:
bonds (distance) C4'-P energy: -61.831
bonds (distance) P-C4' energy: -73.033
flat angles C4'-P-C4' energy: -71.083
flat angles P-C4'-P energy: -49.525
tors. eta vs tors. theta energy: -61.962
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: 7
=====================================
Write number: 46
Temperature: 1.200000
Total energy: -818.788569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -818.788569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -818.788569 (E_RNA)
where:
Base-Base interactions energy: -529.605
where: short stacking energy: -237.789
Base-Backbone interact. energy: -0.311
local terms energy: -288.873190
where:
bonds (distance) C4'-P energy: -67.397
bonds (distance) P-C4' energy: -69.397
flat angles C4'-P-C4' energy: -58.885
flat angles P-C4'-P energy: -39.172
tors. eta vs tors. theta energy: -54.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 46
Temperature: 1.250000
Total energy: -616.898830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -616.898830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -616.898830 (E_RNA)
where:
Base-Base interactions energy: -364.092
where: short stacking energy: -177.124
Base-Backbone interact. energy: 0.692
local terms energy: -253.498973
where:
bonds (distance) C4'-P energy: -59.222
bonds (distance) P-C4' energy: -81.896
flat angles C4'-P-C4' energy: -53.508
flat angles P-C4'-P energy: -31.408
tors. eta vs tors. theta energy: -27.464
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: 9
=====================================
Write number: 46
Temperature: 1.300000
Total energy: -460.642363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.642363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.642363 (E_RNA)
where:
Base-Base interactions energy: -241.644
where: short stacking energy: -114.649
Base-Backbone interact. energy: 2.944
local terms energy: -221.942423
where:
bonds (distance) C4'-P energy: -67.932
bonds (distance) P-C4' energy: -59.685
flat angles C4'-P-C4' energy: -68.334
flat angles P-C4'-P energy: -31.535
tors. eta vs tors. theta energy: 5.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 46
Temperature: 1.350000
Total energy: -417.121662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.121662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.121662 (E_RNA)
where:
Base-Base interactions energy: -214.006
where: short stacking energy: -130.749
Base-Backbone interact. energy: 5.261
local terms energy: -208.376907
where:
bonds (distance) C4'-P energy: -56.787
bonds (distance) P-C4' energy: -64.769
flat angles C4'-P-C4' energy: -68.977
flat angles P-C4'-P energy: -23.936
tors. eta vs tors. theta energy: 6.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 47
Temperature: 0.900000
Total energy: -1285.781552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1285.781552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1285.781552 (E_RNA)
where:
Base-Base interactions energy: -863.254
where: short stacking energy: -400.928
Base-Backbone interact. energy: -1.210
local terms energy: -421.317397
where:
bonds (distance) C4'-P energy: -81.467
bonds (distance) P-C4' energy: -80.800
flat angles C4'-P-C4' energy: -81.350
flat angles P-C4'-P energy: -66.416
tors. eta vs tors. theta energy: -111.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 47
Temperature: 0.950000
Total energy: -1183.983177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1183.983177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1183.983177 (E_RNA)
where:
Base-Base interactions energy: -813.630
where: short stacking energy: -348.503
Base-Backbone interact. energy: -3.279
local terms energy: -367.074648
where:
bonds (distance) C4'-P energy: -76.928
bonds (distance) P-C4' energy: -67.099
flat angles C4'-P-C4' energy: -78.513
flat angles P-C4'-P energy: -51.496
tors. eta vs tors. theta energy: -93.038
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: 8
=====================================
Write number: 47
Temperature: 1.000000
Total energy: -1115.674469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1115.674469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1115.674469 (E_RNA)
where:
Base-Base interactions energy: -755.967
where: short stacking energy: -339.467
Base-Backbone interact. energy: -1.423
local terms energy: -358.284099
where:
bonds (distance) C4'-P energy: -71.494
bonds (distance) P-C4' energy: -72.482
flat angles C4'-P-C4' energy: -82.169
flat angles P-C4'-P energy: -42.698
tors. eta vs tors. theta energy: -89.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 47
Temperature: 1.050000
Total energy: -1049.963359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1049.963359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1049.963359 (E_RNA)
where:
Base-Base interactions energy: -719.917
where: short stacking energy: -306.292
Base-Backbone interact. energy: -1.652
local terms energy: -328.393890
where:
bonds (distance) C4'-P energy: -77.615
bonds (distance) P-C4' energy: -67.455
flat angles C4'-P-C4' energy: -74.966
flat angles P-C4'-P energy: -51.340
tors. eta vs tors. theta energy: -57.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 47
Temperature: 1.100000
Total energy: -993.219555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -993.219555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -993.219555 (E_RNA)
where:
Base-Base interactions energy: -677.097
where: short stacking energy: -275.857
Base-Backbone interact. energy: 0.335
local terms energy: -316.457393
where:
bonds (distance) C4'-P energy: -53.977
bonds (distance) P-C4' energy: -72.176
flat angles C4'-P-C4' energy: -61.938
flat angles P-C4'-P energy: -52.498
tors. eta vs tors. theta energy: -75.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 47
Temperature: 1.150000
Total energy: -849.756056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -849.756056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -849.756056 (E_RNA)
where:
Base-Base interactions energy: -518.628
where: short stacking energy: -237.053
Base-Backbone interact. energy: -1.287
local terms energy: -329.840408
where:
bonds (distance) C4'-P energy: -64.948
bonds (distance) P-C4' energy: -87.698
flat angles C4'-P-C4' energy: -72.943
flat angles P-C4'-P energy: -44.379
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: 10
=====================================
Write number: 47
Temperature: 1.200000
Total energy: -839.096414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -839.096414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -839.096414 (E_RNA)
where:
Base-Base interactions energy: -523.825
where: short stacking energy: -241.037
Base-Backbone interact. energy: -2.507
local terms energy: -312.764262
where:
bonds (distance) C4'-P energy: -61.893
bonds (distance) P-C4' energy: -61.545
flat angles C4'-P-C4' energy: -78.166
flat angles P-C4'-P energy: -54.960
tors. eta vs tors. theta energy: -56.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 47
Temperature: 1.250000
Total energy: -633.377651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -633.377651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -633.377651 (E_RNA)
where:
Base-Base interactions energy: -374.385
where: short stacking energy: -207.976
Base-Backbone interact. energy: -0.568
local terms energy: -258.424751
where:
bonds (distance) C4'-P energy: -59.992
bonds (distance) P-C4' energy: -60.029
flat angles C4'-P-C4' energy: -55.244
flat angles P-C4'-P energy: -46.734
tors. eta vs tors. theta energy: -36.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 47
Temperature: 1.300000
Total energy: -477.409608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.409608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.409608 (E_RNA)
where:
Base-Base interactions energy: -244.112
where: short stacking energy: -122.180
Base-Backbone interact. energy: -2.257
local terms energy: -231.040837
where:
bonds (distance) C4'-P energy: -73.480
bonds (distance) P-C4' energy: -68.481
flat angles C4'-P-C4' energy: -49.603
flat angles P-C4'-P energy: -39.516
tors. eta vs tors. theta energy: 0.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 47
Temperature: 1.350000
Total energy: -407.795342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.795342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.795342 (E_RNA)
where:
Base-Base interactions energy: -208.455
where: short stacking energy: -128.163
Base-Backbone interact. energy: 6.850
local terms energy: -206.189838
where:
bonds (distance) C4'-P energy: -47.093
bonds (distance) P-C4' energy: -56.683
flat angles C4'-P-C4' energy: -54.849
flat angles P-C4'-P energy: -29.405
tors. eta vs tors. theta energy: -18.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 48
Temperature: 0.900000
Total energy: -1241.549892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1241.549892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1241.549892 (E_RNA)
where:
Base-Base interactions energy: -841.840
where: short stacking energy: -373.349
Base-Backbone interact. energy: -3.247
local terms energy: -396.462147
where:
bonds (distance) C4'-P energy: -67.858
bonds (distance) P-C4' energy: -79.685
flat angles C4'-P-C4' energy: -83.916
flat angles P-C4'-P energy: -54.578
tors. eta vs tors. theta energy: -110.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 48
Temperature: 0.950000
Total energy: -1205.389274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1205.389274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1205.389274 (E_RNA)
where:
Base-Base interactions energy: -814.768
where: short stacking energy: -348.432
Base-Backbone interact. energy: -4.654
local terms energy: -385.967540
where:
bonds (distance) C4'-P energy: -74.339
bonds (distance) P-C4' energy: -84.282
flat angles C4'-P-C4' energy: -84.714
flat angles P-C4'-P energy: -57.707
tors. eta vs tors. theta energy: -84.925
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: 8
=====================================
Write number: 48
Temperature: 1.000000
Total energy: -1114.649192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1114.649192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1114.649192 (E_RNA)
where:
Base-Base interactions energy: -741.678
where: short stacking energy: -346.311
Base-Backbone interact. energy: -2.815
local terms energy: -370.156632
where:
bonds (distance) C4'-P energy: -75.562
bonds (distance) P-C4' energy: -70.047
flat angles C4'-P-C4' energy: -79.615
flat angles P-C4'-P energy: -48.864
tors. eta vs tors. theta energy: -96.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 48
Temperature: 1.050000
Total energy: -1083.291170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1083.291170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1083.291170 (E_RNA)
where:
Base-Base interactions energy: -747.119
where: short stacking energy: -299.078
Base-Backbone interact. energy: 0.868
local terms energy: -337.040212
where:
bonds (distance) C4'-P energy: -64.019
bonds (distance) P-C4' energy: -70.536
flat angles C4'-P-C4' energy: -76.541
flat angles P-C4'-P energy: -55.790
tors. eta vs tors. theta energy: -70.154
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: 6
=====================================
Write number: 48
Temperature: 1.100000
Total energy: -978.332717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -978.332717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -978.332717 (E_RNA)
where:
Base-Base interactions energy: -666.508
where: short stacking energy: -267.760
Base-Backbone interact. energy: 0.462
local terms energy: -312.286914
where:
bonds (distance) C4'-P energy: -63.145
bonds (distance) P-C4' energy: -77.084
flat angles C4'-P-C4' energy: -69.391
flat angles P-C4'-P energy: -43.197
tors. eta vs tors. theta energy: -59.469
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: 7
=====================================
Write number: 48
Temperature: 1.150000
Total energy: -874.089975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -874.089975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -874.089975 (E_RNA)
where:
Base-Base interactions energy: -557.969
where: short stacking energy: -243.851
Base-Backbone interact. energy: -1.008
local terms energy: -315.113473
where:
bonds (distance) C4'-P energy: -69.082
bonds (distance) P-C4' energy: -68.301
flat angles C4'-P-C4' energy: -72.139
flat angles P-C4'-P energy: -53.801
tors. eta vs tors. theta energy: -51.790
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: 48
Temperature: 1.200000
Total energy: -838.451376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -838.451376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -838.451376 (E_RNA)
where:
Base-Base interactions energy: -523.962
where: short stacking energy: -250.085
Base-Backbone interact. energy: -1.892
local terms energy: -312.597898
where:
bonds (distance) C4'-P energy: -51.489
bonds (distance) P-C4' energy: -80.228
flat angles C4'-P-C4' energy: -75.651
flat angles P-C4'-P energy: -48.401
tors. eta vs tors. theta energy: -56.828
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: 4
=====================================
Write number: 48
Temperature: 1.250000
Total energy: -586.833376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -586.833376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -586.833376 (E_RNA)
where:
Base-Base interactions energy: -346.291
where: short stacking energy: -156.126
Base-Backbone interact. energy: -2.338
local terms energy: -238.204147
where:
bonds (distance) C4'-P energy: -57.929
bonds (distance) P-C4' energy: -61.539
flat angles C4'-P-C4' energy: -61.154
flat angles P-C4'-P energy: -49.084
tors. eta vs tors. theta energy: -8.498
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: 9, replica: 9
=====================================
Write number: 48
Temperature: 1.300000
Total energy: -450.354635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.354635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.354635 (E_RNA)
where:
Base-Base interactions energy: -215.581
where: short stacking energy: -115.713
Base-Backbone interact. energy: 1.716
local terms energy: -236.489208
where:
bonds (distance) C4'-P energy: -65.885
bonds (distance) P-C4' energy: -66.296
flat angles C4'-P-C4' energy: -65.718
flat angles P-C4'-P energy: -37.850
tors. eta vs tors. theta energy: -0.740
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: 1
=====================================
Write number: 48
Temperature: 1.350000
Total energy: -468.043995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.043995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.043995 (E_RNA)
where:
Base-Base interactions energy: -260.559
where: short stacking energy: -124.507
Base-Backbone interact. energy: -2.470
local terms energy: -205.015330
where:
bonds (distance) C4'-P energy: -52.252
bonds (distance) P-C4' energy: -63.205
flat angles C4'-P-C4' energy: -59.349
flat angles P-C4'-P energy: -27.374
tors. eta vs tors. theta energy: -2.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 49
Temperature: 0.900000
Total energy: -1240.784509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1240.784509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1240.784509 (E_RNA)
where:
Base-Base interactions energy: -845.359
where: short stacking energy: -386.726
Base-Backbone interact. energy: -0.890
local terms energy: -394.535660
where:
bonds (distance) C4'-P energy: -76.832
bonds (distance) P-C4' energy: -69.389
flat angles C4'-P-C4' energy: -81.171
flat angles P-C4'-P energy: -57.962
tors. eta vs tors. theta energy: -109.181
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: 2
=====================================
Write number: 49
Temperature: 0.950000
Total energy: -1212.612702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1212.612702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1212.612702 (E_RNA)
where:
Base-Base interactions energy: -835.217
where: short stacking energy: -343.888
Base-Backbone interact. energy: -1.200
local terms energy: -376.196484
where:
bonds (distance) C4'-P energy: -72.297
bonds (distance) P-C4' energy: -70.389
flat angles C4'-P-C4' energy: -81.774
flat angles P-C4'-P energy: -59.371
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: 3, replica: 8
=====================================
Write number: 49
Temperature: 1.000000
Total energy: -1133.098554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1133.098554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1133.098554 (E_RNA)
where:
Base-Base interactions energy: -777.692
where: short stacking energy: -348.213
Base-Backbone interact. energy: 0.484
local terms energy: -355.890481
where:
bonds (distance) C4'-P energy: -61.639
bonds (distance) P-C4' energy: -57.807
flat angles C4'-P-C4' energy: -82.619
flat angles P-C4'-P energy: -54.124
tors. eta vs tors. theta energy: -99.701
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: 4, replica: 6
=====================================
Write number: 49
Temperature: 1.050000
Total energy: -1026.909962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1026.909962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1026.909962 (E_RNA)
where:
Base-Base interactions energy: -686.442
where: short stacking energy: -310.946
Base-Backbone interact. energy: -1.164
local terms energy: -339.304175
where:
bonds (distance) C4'-P energy: -69.892
bonds (distance) P-C4' energy: -76.021
flat angles C4'-P-C4' energy: -68.167
flat angles P-C4'-P energy: -47.084
tors. eta vs tors. theta energy: -78.140
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: 5
=====================================
Write number: 49
Temperature: 1.100000
Total energy: -1017.203202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1017.203202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1017.203202 (E_RNA)
where:
Base-Base interactions energy: -689.899
where: short stacking energy: -293.624
Base-Backbone interact. energy: -1.754
local terms energy: -325.550184
where:
bonds (distance) C4'-P energy: -72.306
bonds (distance) P-C4' energy: -55.463
flat angles C4'-P-C4' energy: -72.814
flat angles P-C4'-P energy: -51.901
tors. eta vs tors. theta energy: -73.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 49
Temperature: 1.150000
Total energy: -855.228406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -855.228406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -855.228406 (E_RNA)
where:
Base-Base interactions energy: -535.219
where: short stacking energy: -273.574
Base-Backbone interact. energy: -0.560
local terms energy: -319.449369
where:
bonds (distance) C4'-P energy: -75.039
bonds (distance) P-C4' energy: -63.428
flat angles C4'-P-C4' energy: -73.526
flat angles P-C4'-P energy: -37.799
tors. eta vs tors. theta energy: -69.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 49
Temperature: 1.200000
Total energy: -827.410006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -827.410006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -827.410006 (E_RNA)
where:
Base-Base interactions energy: -523.701
where: short stacking energy: -231.371
Base-Backbone interact. energy: -1.262
local terms energy: -302.446437
where:
bonds (distance) C4'-P energy: -75.920
bonds (distance) P-C4' energy: -71.741
flat angles C4'-P-C4' energy: -60.763
flat angles P-C4'-P energy: -42.337
tors. eta vs tors. theta energy: -51.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 49
Temperature: 1.250000
Total energy: -598.229905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -598.229905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -598.229905 (E_RNA)
where:
Base-Base interactions energy: -355.932
where: short stacking energy: -157.469
Base-Backbone interact. energy: 4.755
local terms energy: -247.053201
where:
bonds (distance) C4'-P energy: -51.876
bonds (distance) P-C4' energy: -65.300
flat angles C4'-P-C4' energy: -67.662
flat angles P-C4'-P energy: -43.535
tors. eta vs tors. theta energy: -18.680
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: 9
=====================================
Write number: 49
Temperature: 1.300000
Total energy: -436.804157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.804157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.804157 (E_RNA)
where:
Base-Base interactions energy: -224.753
where: short stacking energy: -137.117
Base-Backbone interact. energy: 2.847
local terms energy: -214.898251
where:
bonds (distance) C4'-P energy: -61.835
bonds (distance) P-C4' energy: -50.140
flat angles C4'-P-C4' energy: -59.867
flat angles P-C4'-P energy: -34.124
tors. eta vs tors. theta energy: -8.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 49
Temperature: 1.350000
Total energy: -465.752776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.752776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.752776 (E_RNA)
where:
Base-Base interactions energy: -240.915
where: short stacking energy: -134.495
Base-Backbone interact. energy: 3.057
local terms energy: -227.895126
where:
bonds (distance) C4'-P energy: -54.885
bonds (distance) P-C4' energy: -62.823
flat angles C4'-P-C4' energy: -57.590
flat angles P-C4'-P energy: -39.892
tors. eta vs tors. theta energy: -12.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 50
Temperature: 0.900000
Total energy: -1274.298480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1274.298480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1274.298480 (E_RNA)
where:
Base-Base interactions energy: -855.642
where: short stacking energy: -387.340
Base-Backbone interact. energy: -0.566
local terms energy: -418.090858
where:
bonds (distance) C4'-P energy: -80.143
bonds (distance) P-C4' energy: -79.761
flat angles C4'-P-C4' energy: -91.913
flat angles P-C4'-P energy: -55.269
tors. eta vs tors. theta energy: -111.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 50
Temperature: 0.950000
Total energy: -1215.062243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1215.062243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1215.062243 (E_RNA)
where:
Base-Base interactions energy: -829.380
where: short stacking energy: -346.331
Base-Backbone interact. energy: -1.635
local terms energy: -384.047415
where:
bonds (distance) C4'-P energy: -86.532
bonds (distance) P-C4' energy: -65.192
flat angles C4'-P-C4' energy: -81.747
flat angles P-C4'-P energy: -58.238
tors. eta vs tors. theta energy: -92.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 50
Temperature: 1.000000
Total energy: -1148.631515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1148.631515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1148.631515 (E_RNA)
where:
Base-Base interactions energy: -769.305
where: short stacking energy: -348.929
Base-Backbone interact. energy: -1.613
local terms energy: -377.713741
where:
bonds (distance) C4'-P energy: -74.464
bonds (distance) P-C4' energy: -73.982
flat angles C4'-P-C4' energy: -84.311
flat angles P-C4'-P energy: -53.518
tors. eta vs tors. theta energy: -91.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 50
Temperature: 1.050000
Total energy: -1044.760038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1044.760038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1044.760038 (E_RNA)
where:
Base-Base interactions energy: -721.469
where: short stacking energy: -284.535
Base-Backbone interact. energy: 1.133
local terms energy: -324.424956
where:
bonds (distance) C4'-P energy: -63.391
bonds (distance) P-C4' energy: -66.059
flat angles C4'-P-C4' energy: -80.267
flat angles P-C4'-P energy: -37.882
tors. eta vs tors. theta energy: -76.826
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: 5, replica: 5
=====================================
Write number: 50
Temperature: 1.100000
Total energy: -1005.507515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1005.507515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1005.507515 (E_RNA)
where:
Base-Base interactions energy: -695.371
where: short stacking energy: -289.163
Base-Backbone interact. energy: -1.075
local terms energy: -309.061465
where:
bonds (distance) C4'-P energy: -58.263
bonds (distance) P-C4' energy: -69.821
flat angles C4'-P-C4' energy: -74.779
flat angles P-C4'-P energy: -50.473
tors. eta vs tors. theta energy: -55.726
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: 10
=====================================
Write number: 50
Temperature: 1.150000
Total energy: -824.515425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -824.515425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -824.515425 (E_RNA)
where:
Base-Base interactions energy: -503.630
where: short stacking energy: -251.383
Base-Backbone interact. energy: -0.407
local terms energy: -320.478099
where:
bonds (distance) C4'-P energy: -61.896
bonds (distance) P-C4' energy: -79.522
flat angles C4'-P-C4' energy: -59.577
flat angles P-C4'-P energy: -49.730
tors. eta vs tors. theta energy: -69.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 50
Temperature: 1.200000
Total energy: -829.377323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -829.377323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -829.377323 (E_RNA)
where:
Base-Base interactions energy: -550.100
where: short stacking energy: -258.799
Base-Backbone interact. energy: 0.314
local terms energy: -280.305192
where:
bonds (distance) C4'-P energy: -61.093
bonds (distance) P-C4' energy: -62.327
flat angles C4'-P-C4' energy: -68.517
flat angles P-C4'-P energy: -39.685
tors. eta vs tors. theta energy: -48.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.714 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 50
Temperature: 1.250000
Total energy: -555.311308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.311308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.311308 (E_RNA)
where:
Base-Base interactions energy: -300.708
where: short stacking energy: -158.217
Base-Backbone interact. energy: 1.117
local terms energy: -255.720510
where:
bonds (distance) C4'-P energy: -63.545
bonds (distance) P-C4' energy: -74.636
flat angles C4'-P-C4' energy: -56.738
flat angles P-C4'-P energy: -40.857
tors. eta vs tors. theta energy: -19.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 50
Temperature: 1.300000
Total energy: -474.901024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.901024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.901024 (E_RNA)
where:
Base-Base interactions energy: -240.617
where: short stacking energy: -126.645
Base-Backbone interact. energy: -1.788
local terms energy: -232.495715
where:
bonds (distance) C4'-P energy: -66.910
bonds (distance) P-C4' energy: -59.999
flat angles C4'-P-C4' energy: -54.549
flat angles P-C4'-P energy: -40.069
tors. eta vs tors. theta energy: -10.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 50
Temperature: 1.350000
Total energy: -398.584597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.584597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.584597 (E_RNA)
where:
Base-Base interactions energy: -163.111
where: short stacking energy: -96.754
Base-Backbone interact. energy: 0.214
local terms energy: -235.687834
where:
bonds (distance) C4'-P energy: -56.379
bonds (distance) P-C4' energy: -68.877
flat angles C4'-P-C4' energy: -68.224
flat angles P-C4'-P energy: -41.635
tors. eta vs tors. theta energy: -0.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 51
Temperature: 0.900000
Total energy: -1254.983000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1254.983000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1254.983000 (E_RNA)
where:
Base-Base interactions energy: -852.612
where: short stacking energy: -393.556
Base-Backbone interact. energy: -0.375
local terms energy: -401.996015
where:
bonds (distance) C4'-P energy: -78.112
bonds (distance) P-C4' energy: -75.072
flat angles C4'-P-C4' energy: -82.016
flat angles P-C4'-P energy: -61.691
tors. eta vs tors. theta energy: -105.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 51
Temperature: 0.950000
Total energy: -1183.758226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1183.758226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1183.758226 (E_RNA)
where:
Base-Base interactions energy: -800.136
where: short stacking energy: -322.017
Base-Backbone interact. energy: -2.154
local terms energy: -381.469147
where:
bonds (distance) C4'-P energy: -70.236
bonds (distance) P-C4' energy: -81.995
flat angles C4'-P-C4' energy: -74.832
flat angles P-C4'-P energy: -66.445
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: 3, replica: 8
=====================================
Write number: 51
Temperature: 1.000000
Total energy: -1182.728674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1182.728674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1182.728674 (E_RNA)
where:
Base-Base interactions energy: -795.855
where: short stacking energy: -352.347
Base-Backbone interact. energy: -0.771
local terms energy: -386.102289
where:
bonds (distance) C4'-P energy: -82.429
bonds (distance) P-C4' energy: -71.841
flat angles C4'-P-C4' energy: -75.428
flat angles P-C4'-P energy: -53.704
tors. eta vs tors. theta energy: -102.700
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: 4, replica: 6
=====================================
Write number: 51
Temperature: 1.050000
Total energy: -1049.383598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1049.383598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1049.383598 (E_RNA)
where:
Base-Base interactions energy: -700.925
where: short stacking energy: -296.549
Base-Backbone interact. energy: -1.002
local terms energy: -347.456806
where:
bonds (distance) C4'-P energy: -73.416
bonds (distance) P-C4' energy: -71.568
flat angles C4'-P-C4' energy: -78.287
flat angles P-C4'-P energy: -46.361
tors. eta vs tors. theta energy: -77.824
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: 5
=====================================
Write number: 51
Temperature: 1.100000
Total energy: -995.426698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -995.426698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -995.426698 (E_RNA)
where:
Base-Base interactions energy: -681.930
where: short stacking energy: -298.558
Base-Backbone interact. energy: -0.485
local terms energy: -313.011876
where:
bonds (distance) C4'-P energy: -64.724
bonds (distance) P-C4' energy: -63.645
flat angles C4'-P-C4' energy: -68.132
flat angles P-C4'-P energy: -47.816
tors. eta vs tors. theta energy: -68.695
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: 7
=====================================
Write number: 51
Temperature: 1.150000
Total energy: -842.238445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -842.238445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -842.238445 (E_RNA)
where:
Base-Base interactions energy: -525.182
where: short stacking energy: -248.223
Base-Backbone interact. energy: -1.194
local terms energy: -315.862334
where:
bonds (distance) C4'-P energy: -64.677
bonds (distance) P-C4' energy: -72.996
flat angles C4'-P-C4' energy: -68.965
flat angles P-C4'-P energy: -43.481
tors. eta vs tors. theta energy: -65.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 51
Temperature: 1.200000
Total energy: -793.212454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -793.212454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -793.212454 (E_RNA)
where:
Base-Base interactions energy: -491.561
where: short stacking energy: -236.492
Base-Backbone interact. energy: 0.192
local terms energy: -301.844352
where:
bonds (distance) C4'-P energy: -72.450
bonds (distance) P-C4' energy: -61.663
flat angles C4'-P-C4' energy: -68.849
flat angles P-C4'-P energy: -46.169
tors. eta vs tors. theta energy: -52.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 51
Temperature: 1.250000
Total energy: -547.429511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.429511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.429511 (E_RNA)
where:
Base-Base interactions energy: -281.866
where: short stacking energy: -142.573
Base-Backbone interact. energy: 3.074
local terms energy: -268.637185
where:
bonds (distance) C4'-P energy: -60.055
bonds (distance) P-C4' energy: -71.557
flat angles C4'-P-C4' energy: -62.590
flat angles P-C4'-P energy: -45.010
tors. eta vs tors. theta energy: -29.425
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: 9, replica: 1
=====================================
Write number: 51
Temperature: 1.300000
Total energy: -476.182750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.182750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.182750 (E_RNA)
where:
Base-Base interactions energy: -255.881
where: short stacking energy: -145.571
Base-Backbone interact. energy: 3.570
local terms energy: -223.871626
where:
bonds (distance) C4'-P energy: -68.146
bonds (distance) P-C4' energy: -55.855
flat angles C4'-P-C4' energy: -59.093
flat angles P-C4'-P energy: -21.867
tors. eta vs tors. theta energy: -18.911
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: 9
=====================================
Write number: 51
Temperature: 1.350000
Total energy: -423.174477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.174477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.174477 (E_RNA)
where:
Base-Base interactions energy: -236.687
where: short stacking energy: -120.187
Base-Backbone interact. energy: 0.512
local terms energy: -186.998713
where:
bonds (distance) C4'-P energy: -59.494
bonds (distance) P-C4' energy: -54.374
flat angles C4'-P-C4' energy: -51.404
flat angles P-C4'-P energy: -26.958
tors. eta vs tors. theta energy: 5.231
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: 3
=====================================
Write number: 52
Temperature: 0.900000
Total energy: -1253.327243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1253.327243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1253.327243 (E_RNA)
where:
Base-Base interactions energy: -843.402
where: short stacking energy: -377.794
Base-Backbone interact. energy: -0.206
local terms energy: -409.719135
where:
bonds (distance) C4'-P energy: -80.212
bonds (distance) P-C4' energy: -69.994
flat angles C4'-P-C4' energy: -90.223
flat angles P-C4'-P energy: -60.510
tors. eta vs tors. theta energy: -108.780
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: 2
=====================================
Write number: 52
Temperature: 0.950000
Total energy: -1203.867120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1203.867120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1203.867120 (E_RNA)
where:
Base-Base interactions energy: -832.493
where: short stacking energy: -327.315
Base-Backbone interact. energy: 0.378
local terms energy: -371.751617
where:
bonds (distance) C4'-P energy: -69.752
bonds (distance) P-C4' energy: -74.291
flat angles C4'-P-C4' energy: -90.737
flat angles P-C4'-P energy: -56.343
tors. eta vs tors. theta energy: -80.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 52
Temperature: 1.000000
Total energy: -1158.347684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1158.347684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1158.347684 (E_RNA)
where:
Base-Base interactions energy: -761.415
where: short stacking energy: -349.986
Base-Backbone interact. energy: -1.064
local terms energy: -395.868653
where:
bonds (distance) C4'-P energy: -72.406
bonds (distance) P-C4' energy: -80.092
flat angles C4'-P-C4' energy: -81.634
flat angles P-C4'-P energy: -58.058
tors. eta vs tors. theta energy: -103.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 52
Temperature: 1.050000
Total energy: -1055.260918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1055.260918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1055.260918 (E_RNA)
where:
Base-Base interactions energy: -708.686
where: short stacking energy: -300.494
Base-Backbone interact. energy: -2.264
local terms energy: -344.311112
where:
bonds (distance) C4'-P energy: -66.122
bonds (distance) P-C4' energy: -78.390
flat angles C4'-P-C4' energy: -76.254
flat angles P-C4'-P energy: -49.620
tors. eta vs tors. theta energy: -73.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 52
Temperature: 1.100000
Total energy: -1033.898692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1033.898692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1033.898692 (E_RNA)
where:
Base-Base interactions energy: -714.095
where: short stacking energy: -284.856
Base-Backbone interact. energy: -1.513
local terms energy: -318.290763
where:
bonds (distance) C4'-P energy: -62.118
bonds (distance) P-C4' energy: -69.306
flat angles C4'-P-C4' energy: -81.298
flat angles P-C4'-P energy: -39.274
tors. eta vs tors. theta energy: -66.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 52
Temperature: 1.150000
Total energy: -825.989091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -825.989091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -825.989091 (E_RNA)
where:
Base-Base interactions energy: -508.775
where: short stacking energy: -239.374
Base-Backbone interact. energy: -0.978
local terms energy: -316.236145
where:
bonds (distance) C4'-P energy: -68.854
bonds (distance) P-C4' energy: -68.647
flat angles C4'-P-C4' energy: -72.499
flat angles P-C4'-P energy: -49.116
tors. eta vs tors. theta energy: -57.120
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: 10
=====================================
Write number: 52
Temperature: 1.200000
Total energy: -773.174668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -773.174668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -773.174668 (E_RNA)
where:
Base-Base interactions energy: -471.844
where: short stacking energy: -238.688
Base-Backbone interact. energy: 2.079
local terms energy: -303.410268
where:
bonds (distance) C4'-P energy: -59.740
bonds (distance) P-C4' energy: -70.153
flat angles C4'-P-C4' energy: -72.090
flat angles P-C4'-P energy: -46.284
tors. eta vs tors. theta energy: -55.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 52
Temperature: 1.250000
Total energy: -524.626088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.626088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.626088 (E_RNA)
where:
Base-Base interactions energy: -284.474
where: short stacking energy: -168.634
Base-Backbone interact. energy: 10.493
local terms energy: -250.645024
where:
bonds (distance) C4'-P energy: -62.174
bonds (distance) P-C4' energy: -65.070
flat angles C4'-P-C4' energy: -64.777
flat angles P-C4'-P energy: -39.250
tors. eta vs tors. theta energy: -19.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 52
Temperature: 1.300000
Total energy: -516.244680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.244680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.244680 (E_RNA)
where:
Base-Base interactions energy: -269.494
where: short stacking energy: -128.845
Base-Backbone interact. energy: -0.041
local terms energy: -246.709821
where:
bonds (distance) C4'-P energy: -74.611
bonds (distance) P-C4' energy: -57.776
flat angles C4'-P-C4' energy: -51.476
flat angles P-C4'-P energy: -47.447
tors. eta vs tors. theta energy: -15.399
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: 9
=====================================
Write number: 52
Temperature: 1.350000
Total energy: -399.774697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.774697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.774697 (E_RNA)
where:
Base-Base interactions energy: -187.963
where: short stacking energy: -106.737
Base-Backbone interact. energy: -0.016
local terms energy: -211.795468
where:
bonds (distance) C4'-P energy: -58.702
bonds (distance) P-C4' energy: -73.092
flat angles C4'-P-C4' energy: -56.263
flat angles P-C4'-P energy: -26.680
tors. eta vs tors. theta energy: 2.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 53
Temperature: 0.900000
Total energy: -1250.124857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1250.124857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1250.124857 (E_RNA)
where:
Base-Base interactions energy: -864.435
where: short stacking energy: -368.072
Base-Backbone interact. energy: 1.083
local terms energy: -386.772960
where:
bonds (distance) C4'-P energy: -73.127
bonds (distance) P-C4' energy: -77.269
flat angles C4'-P-C4' energy: -84.306
flat angles P-C4'-P energy: -51.531
tors. eta vs tors. theta energy: -100.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 53
Temperature: 0.950000
Total energy: -1197.933272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1197.933272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1197.933272 (E_RNA)
where:
Base-Base interactions energy: -821.538
where: short stacking energy: -335.439
Base-Backbone interact. energy: -3.171
local terms energy: -373.224730
where:
bonds (distance) C4'-P energy: -70.770
bonds (distance) P-C4' energy: -78.238
flat angles C4'-P-C4' energy: -81.597
flat angles P-C4'-P energy: -57.985
tors. eta vs tors. theta energy: -84.636
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: 8
=====================================
Write number: 53
Temperature: 1.000000
Total energy: -1163.609350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1163.609350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1163.609350 (E_RNA)
where:
Base-Base interactions energy: -783.280
where: short stacking energy: -346.584
Base-Backbone interact. energy: -0.814
local terms energy: -379.515525
where:
bonds (distance) C4'-P energy: -78.625
bonds (distance) P-C4' energy: -78.965
flat angles C4'-P-C4' energy: -86.123
flat angles P-C4'-P energy: -44.454
tors. eta vs tors. theta energy: -91.348
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: 5
=====================================
Write number: 53
Temperature: 1.050000
Total energy: -1082.675754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1082.675754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1082.675754 (E_RNA)
where:
Base-Base interactions energy: -739.476
where: short stacking energy: -328.890
Base-Backbone interact. energy: 0.800
local terms energy: -344.000200
where:
bonds (distance) C4'-P energy: -71.063
bonds (distance) P-C4' energy: -70.613
flat angles C4'-P-C4' energy: -75.614
flat angles P-C4'-P energy: -42.795
tors. eta vs tors. theta energy: -83.915
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: 5, replica: 6
=====================================
Write number: 53
Temperature: 1.100000
Total energy: -1045.777100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1045.777100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1045.777100 (E_RNA)
where:
Base-Base interactions energy: -712.194
where: short stacking energy: -298.363
Base-Backbone interact. energy: -3.281
local terms energy: -330.301931
where:
bonds (distance) C4'-P energy: -66.928
bonds (distance) P-C4' energy: -72.886
flat angles C4'-P-C4' energy: -76.146
flat angles P-C4'-P energy: -43.721
tors. eta vs tors. theta energy: -70.621
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: 10
=====================================
Write number: 53
Temperature: 1.150000
Total energy: -812.436957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -812.436957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -812.436957 (E_RNA)
where:
Base-Base interactions energy: -499.774
where: short stacking energy: -235.621
Base-Backbone interact. energy: 0.356
local terms energy: -313.018607
where:
bonds (distance) C4'-P energy: -71.621
bonds (distance) P-C4' energy: -67.407
flat angles C4'-P-C4' energy: -81.093
flat angles P-C4'-P energy: -45.151
tors. eta vs tors. theta energy: -47.746
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: 7
=====================================
Write number: 53
Temperature: 1.200000
Total energy: -804.790575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -804.790575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -804.790575 (E_RNA)
where:
Base-Base interactions energy: -516.338
where: short stacking energy: -234.927
Base-Backbone interact. energy: 4.059
local terms energy: -292.511585
where:
bonds (distance) C4'-P energy: -65.396
bonds (distance) P-C4' energy: -73.095
flat angles C4'-P-C4' energy: -67.598
flat angles P-C4'-P energy: -46.990
tors. eta vs tors. theta energy: -39.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 53
Temperature: 1.250000
Total energy: -623.950941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -623.950941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -623.950941 (E_RNA)
where:
Base-Base interactions energy: -385.704
where: short stacking energy: -169.984
Base-Backbone interact. energy: 0.325
local terms energy: -238.571594
where:
bonds (distance) C4'-P energy: -44.854
bonds (distance) P-C4' energy: -74.277
flat angles C4'-P-C4' energy: -50.317
flat angles P-C4'-P energy: -47.457
tors. eta vs tors. theta energy: -21.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 53
Temperature: 1.300000
Total energy: -510.015235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.015235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.015235 (E_RNA)
where:
Base-Base interactions energy: -273.252
where: short stacking energy: -166.321
Base-Backbone interact. energy: -0.083
local terms energy: -236.680143
where:
bonds (distance) C4'-P energy: -64.095
bonds (distance) P-C4' energy: -59.979
flat angles C4'-P-C4' energy: -57.455
flat angles P-C4'-P energy: -36.962
tors. eta vs tors. theta energy: -18.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 53
Temperature: 1.350000
Total energy: -381.473460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.473460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.473460 (E_RNA)
where:
Base-Base interactions energy: -164.943
where: short stacking energy: -115.157
Base-Backbone interact. energy: -3.124
local terms energy: -213.406571
where:
bonds (distance) C4'-P energy: -66.242
bonds (distance) P-C4' energy: -66.037
flat angles C4'-P-C4' energy: -57.932
flat angles P-C4'-P energy: -28.972
tors. eta vs tors. theta energy: 5.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 54
Temperature: 0.900000
Total energy: -1259.132366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1259.132366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1259.132366 (E_RNA)
where:
Base-Base interactions energy: -862.242
where: short stacking energy: -368.401
Base-Backbone interact. energy: -0.043
local terms energy: -396.847382
where:
bonds (distance) C4'-P energy: -76.170
bonds (distance) P-C4' energy: -83.877
flat angles C4'-P-C4' energy: -78.849
flat angles P-C4'-P energy: -55.572
tors. eta vs tors. theta energy: -102.378
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: 2
=====================================
Write number: 54
Temperature: 0.950000
Total energy: -1181.285469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1181.285469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1181.285469 (E_RNA)
where:
Base-Base interactions energy: -799.194
where: short stacking energy: -329.698
Base-Backbone interact. energy: -1.063
local terms energy: -381.028613
where:
bonds (distance) C4'-P energy: -73.263
bonds (distance) P-C4' energy: -82.360
flat angles C4'-P-C4' energy: -77.021
flat angles P-C4'-P energy: -58.203
tors. eta vs tors. theta energy: -90.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 54
Temperature: 1.000000
Total energy: -1162.906896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1162.906896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1162.906896 (E_RNA)
where:
Base-Base interactions energy: -793.279
where: short stacking energy: -360.689
Base-Backbone interact. energy: -0.317
local terms energy: -369.310858
where:
bonds (distance) C4'-P energy: -60.173
bonds (distance) P-C4' energy: -75.711
flat angles C4'-P-C4' energy: -81.347
flat angles P-C4'-P energy: -55.855
tors. eta vs tors. theta energy: -96.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 54
Temperature: 1.050000
Total energy: -1083.086657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1083.086657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1083.086657 (E_RNA)
where:
Base-Base interactions energy: -765.428
where: short stacking energy: -312.198
Base-Backbone interact. energy: -3.054
local terms energy: -314.603820
where:
bonds (distance) C4'-P energy: -59.640
bonds (distance) P-C4' energy: -67.775
flat angles C4'-P-C4' energy: -77.049
flat angles P-C4'-P energy: -40.345
tors. eta vs tors. theta energy: -69.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 54
Temperature: 1.100000
Total energy: -1020.528379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1020.528379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1020.528379 (E_RNA)
where:
Base-Base interactions energy: -715.924
where: short stacking energy: -289.942
Base-Backbone interact. energy: -1.489
local terms energy: -303.115095
where:
bonds (distance) C4'-P energy: -65.181
bonds (distance) P-C4' energy: -66.980
flat angles C4'-P-C4' energy: -72.020
flat angles P-C4'-P energy: -42.327
tors. eta vs tors. theta energy: -56.607
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: 6, replica: 10
=====================================
Write number: 54
Temperature: 1.150000
Total energy: -864.394778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -864.394778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -864.394778 (E_RNA)
where:
Base-Base interactions energy: -560.461
where: short stacking energy: -274.272
Base-Backbone interact. energy: -2.330
local terms energy: -301.603866
where:
bonds (distance) C4'-P energy: -62.397
bonds (distance) P-C4' energy: -78.700
flat angles C4'-P-C4' energy: -69.616
flat angles P-C4'-P energy: -33.327
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: 7, replica: 7
=====================================
Write number: 54
Temperature: 1.200000
Total energy: -796.402021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -796.402021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -796.402021 (E_RNA)
where:
Base-Base interactions energy: -498.532
where: short stacking energy: -233.193
Base-Backbone interact. energy: -0.419
local terms energy: -297.451277
where:
bonds (distance) C4'-P energy: -57.693
bonds (distance) P-C4' energy: -70.449
flat angles C4'-P-C4' energy: -61.389
flat angles P-C4'-P energy: -53.294
tors. eta vs tors. theta energy: -54.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 54
Temperature: 1.250000
Total energy: -649.299266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -649.299266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -649.299266 (E_RNA)
where:
Base-Base interactions energy: -389.567
where: short stacking energy: -177.349
Base-Backbone interact. energy: -2.298
local terms energy: -257.434458
where:
bonds (distance) C4'-P energy: -65.356
bonds (distance) P-C4' energy: -66.580
flat angles C4'-P-C4' energy: -72.025
flat angles P-C4'-P energy: -35.538
tors. eta vs tors. theta energy: -17.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 54
Temperature: 1.300000
Total energy: -518.337287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.337287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.337287 (E_RNA)
where:
Base-Base interactions energy: -270.617
where: short stacking energy: -142.123
Base-Backbone interact. energy: -1.583
local terms energy: -246.137414
where:
bonds (distance) C4'-P energy: -77.007
bonds (distance) P-C4' energy: -54.918
flat angles C4'-P-C4' energy: -65.263
flat angles P-C4'-P energy: -34.059
tors. eta vs tors. theta energy: -14.891
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: 9
=====================================
Write number: 54
Temperature: 1.350000
Total energy: -402.875284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.875284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.875284 (E_RNA)
where:
Base-Base interactions energy: -180.129
where: short stacking energy: -109.770
Base-Backbone interact. energy: -0.611
local terms energy: -222.135171
where:
bonds (distance) C4'-P energy: -61.609
bonds (distance) P-C4' energy: -67.574
flat angles C4'-P-C4' energy: -56.276
flat angles P-C4'-P energy: -34.821
tors. eta vs tors. theta energy: -1.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 55
Temperature: 0.900000
Total energy: -1252.701550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1252.701550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1252.701550 (E_RNA)
where:
Base-Base interactions energy: -845.688
where: short stacking energy: -378.900
Base-Backbone interact. energy: -3.058
local terms energy: -403.954976
where:
bonds (distance) C4'-P energy: -79.296
bonds (distance) P-C4' energy: -77.179
flat angles C4'-P-C4' energy: -79.737
flat angles P-C4'-P energy: -63.176
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: 2, replica: 8
=====================================
Write number: 55
Temperature: 0.950000
Total energy: -1211.830490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1211.830490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1211.830490 (E_RNA)
where:
Base-Base interactions energy: -805.597
where: short stacking energy: -371.552
Base-Backbone interact. energy: -1.628
local terms energy: -404.605373
where:
bonds (distance) C4'-P energy: -79.140
bonds (distance) P-C4' energy: -77.179
flat angles C4'-P-C4' energy: -73.801
flat angles P-C4'-P energy: -56.137
tors. eta vs tors. theta energy: -118.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 55
Temperature: 1.000000
Total energy: -1178.203543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1178.203543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1178.203543 (E_RNA)
where:
Base-Base interactions energy: -808.947
where: short stacking energy: -323.388
Base-Backbone interact. energy: -1.467
local terms energy: -367.789469
where:
bonds (distance) C4'-P energy: -73.571
bonds (distance) P-C4' energy: -71.485
flat angles C4'-P-C4' energy: -83.961
flat angles P-C4'-P energy: -56.935
tors. eta vs tors. theta energy: -81.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 55
Temperature: 1.050000
Total energy: -1085.059118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1085.059118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1085.059118 (E_RNA)
where:
Base-Base interactions energy: -767.439
where: short stacking energy: -329.438
Base-Backbone interact. energy: 0.864
local terms energy: -318.483987
where:
bonds (distance) C4'-P energy: -63.625
bonds (distance) P-C4' energy: -64.082
flat angles C4'-P-C4' energy: -73.201
flat angles P-C4'-P energy: -43.401
tors. eta vs tors. theta energy: -74.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 55
Temperature: 1.100000
Total energy: -1060.350701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1060.350701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1060.350701 (E_RNA)
where:
Base-Base interactions energy: -711.837
where: short stacking energy: -287.378
Base-Backbone interact. energy: -1.064
local terms energy: -347.449999
where:
bonds (distance) C4'-P energy: -74.688
bonds (distance) P-C4' energy: -70.996
flat angles C4'-P-C4' energy: -81.208
flat angles P-C4'-P energy: -43.451
tors. eta vs tors. theta energy: -77.107
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: 6, replica: 10
=====================================
Write number: 55
Temperature: 1.150000
Total energy: -872.327095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -872.327095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -872.327095 (E_RNA)
where:
Base-Base interactions energy: -567.253
where: short stacking energy: -265.821
Base-Backbone interact. energy: -1.711
local terms energy: -303.363843
where:
bonds (distance) C4'-P energy: -58.676
bonds (distance) P-C4' energy: -62.907
flat angles C4'-P-C4' energy: -81.594
flat angles P-C4'-P energy: -41.637
tors. eta vs tors. theta energy: -58.551
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: 7
=====================================
Write number: 55
Temperature: 1.200000
Total energy: -813.472781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -813.472781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -813.472781 (E_RNA)
where:
Base-Base interactions energy: -522.650
where: short stacking energy: -227.963
Base-Backbone interact. energy: 1.541
local terms energy: -292.364569
where:
bonds (distance) C4'-P energy: -63.477
bonds (distance) P-C4' energy: -73.301
flat angles C4'-P-C4' energy: -65.022
flat angles P-C4'-P energy: -39.149
tors. eta vs tors. theta energy: -51.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 55
Temperature: 1.250000
Total energy: -659.779601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -659.779601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -659.779601 (E_RNA)
where:
Base-Base interactions energy: -390.744
where: short stacking energy: -195.841
Base-Backbone interact. energy: 0.567
local terms energy: -269.602270
where:
bonds (distance) C4'-P energy: -71.230
bonds (distance) P-C4' energy: -72.433
flat angles C4'-P-C4' energy: -66.172
flat angles P-C4'-P energy: -29.822
tors. eta vs tors. theta energy: -29.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 55
Temperature: 1.300000
Total energy: -507.200963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.200963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.200963 (E_RNA)
where:
Base-Base interactions energy: -276.894
where: short stacking energy: -122.029
Base-Backbone interact. energy: 4.676
local terms energy: -234.982512
where:
bonds (distance) C4'-P energy: -56.695
bonds (distance) P-C4' energy: -69.499
flat angles C4'-P-C4' energy: -55.267
flat angles P-C4'-P energy: -40.527
tors. eta vs tors. theta energy: -12.994
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: 9
=====================================
Write number: 55
Temperature: 1.350000
Total energy: -379.298018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.298018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.298018 (E_RNA)
where:
Base-Base interactions energy: -170.829
where: short stacking energy: -112.622
Base-Backbone interact. energy: -0.246
local terms energy: -208.222417
where:
bonds (distance) C4'-P energy: -61.652
bonds (distance) P-C4' energy: -67.287
flat angles C4'-P-C4' energy: -52.775
flat angles P-C4'-P energy: -30.129
tors. eta vs tors. theta energy: 3.621
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: 3
=====================================
Write number: 56
Temperature: 0.900000
Total energy: -1272.642610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1272.642610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1272.642610 (E_RNA)
where:
Base-Base interactions energy: -873.987
where: short stacking energy: -397.172
Base-Backbone interact. energy: -2.513
local terms energy: -396.142126
where:
bonds (distance) C4'-P energy: -78.251
bonds (distance) P-C4' energy: -68.294
flat angles C4'-P-C4' energy: -88.829
flat angles P-C4'-P energy: -55.707
tors. eta vs tors. theta energy: -105.061
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: 8
=====================================
Write number: 56
Temperature: 0.950000
Total energy: -1218.397267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1218.397267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1218.397267 (E_RNA)
where:
Base-Base interactions energy: -832.406
where: short stacking energy: -375.576
Base-Backbone interact. energy: -2.050
local terms energy: -383.941322
where:
bonds (distance) C4'-P energy: -70.744
bonds (distance) P-C4' energy: -62.726
flat angles C4'-P-C4' energy: -89.713
flat angles P-C4'-P energy: -55.173
tors. eta vs tors. theta energy: -105.585
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: 2
=====================================
Write number: 56
Temperature: 1.000000
Total energy: -1178.899775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1178.899775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1178.899775 (E_RNA)
where:
Base-Base interactions energy: -813.314
where: short stacking energy: -335.337
Base-Backbone interact. energy: -2.176
local terms energy: -363.409342
where:
bonds (distance) C4'-P energy: -72.036
bonds (distance) P-C4' energy: -77.558
flat angles C4'-P-C4' energy: -74.422
flat angles P-C4'-P energy: -54.191
tors. eta vs tors. theta energy: -85.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 56
Temperature: 1.050000
Total energy: -1062.118123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1062.118123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1062.118123 (E_RNA)
where:
Base-Base interactions energy: -745.790
where: short stacking energy: -310.971
Base-Backbone interact. energy: -2.680
local terms energy: -313.648217
where:
bonds (distance) C4'-P energy: -61.393
bonds (distance) P-C4' energy: -79.727
flat angles C4'-P-C4' energy: -70.641
flat angles P-C4'-P energy: -36.043
tors. eta vs tors. theta energy: -65.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 56
Temperature: 1.100000
Total energy: -1064.550469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1064.550469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1064.550469 (E_RNA)
where:
Base-Base interactions energy: -725.182
where: short stacking energy: -301.808
Base-Backbone interact. energy: -2.695
local terms energy: -336.673342
where:
bonds (distance) C4'-P energy: -67.419
bonds (distance) P-C4' energy: -68.241
flat angles C4'-P-C4' energy: -73.107
flat angles P-C4'-P energy: -57.206
tors. eta vs tors. theta energy: -70.700
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: 10
=====================================
Write number: 56
Temperature: 1.150000
Total energy: -854.849938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -854.849938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -854.849938 (E_RNA)
where:
Base-Base interactions energy: -523.302
where: short stacking energy: -260.564
Base-Backbone interact. energy: 0.955
local terms energy: -332.503025
where:
bonds (distance) C4'-P energy: -68.948
bonds (distance) P-C4' energy: -78.264
flat angles C4'-P-C4' energy: -75.313
flat angles P-C4'-P energy: -40.371
tors. eta vs tors. theta energy: -69.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 56
Temperature: 1.200000
Total energy: -771.744884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -771.744884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -771.744884 (E_RNA)
where:
Base-Base interactions energy: -499.030
where: short stacking energy: -215.128
Base-Backbone interact. energy: -2.846
local terms energy: -269.868579
where:
bonds (distance) C4'-P energy: -53.155
bonds (distance) P-C4' energy: -65.389
flat angles C4'-P-C4' energy: -73.143
flat angles P-C4'-P energy: -33.725
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: 1
=====================================
Write number: 56
Temperature: 1.250000
Total energy: -683.829662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -683.829662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -683.829662 (E_RNA)
where:
Base-Base interactions energy: -423.390
where: short stacking energy: -179.460
Base-Backbone interact. energy: 1.913
local terms energy: -262.352615
where:
bonds (distance) C4'-P energy: -68.804
bonds (distance) P-C4' energy: -65.279
flat angles C4'-P-C4' energy: -62.949
flat angles P-C4'-P energy: -43.239
tors. eta vs tors. theta energy: -22.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 56
Temperature: 1.300000
Total energy: -522.048656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.048656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.048656 (E_RNA)
where:
Base-Base interactions energy: -290.846
where: short stacking energy: -141.217
Base-Backbone interact. energy: -2.027
local terms energy: -229.175567
where:
bonds (distance) C4'-P energy: -63.640
bonds (distance) P-C4' energy: -54.994
flat angles C4'-P-C4' energy: -61.902
flat angles P-C4'-P energy: -43.786
tors. eta vs tors. theta energy: -4.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 56
Temperature: 1.350000
Total energy: -395.014042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.014042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -395.014042 (E_RNA)
where:
Base-Base interactions energy: -179.529
where: short stacking energy: -106.772
Base-Backbone interact. energy: -3.283
local terms energy: -212.201925
where:
bonds (distance) C4'-P energy: -46.458
bonds (distance) P-C4' energy: -67.998
flat angles C4'-P-C4' energy: -59.746
flat angles P-C4'-P energy: -41.637
tors. eta vs tors. theta energy: 3.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 57
Temperature: 0.900000
Total energy: -1285.527263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1285.527263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1285.527263 (E_RNA)
where:
Base-Base interactions energy: -888.352
where: short stacking energy: -390.707
Base-Backbone interact. energy: -2.580
local terms energy: -394.595432
where:
bonds (distance) C4'-P energy: -71.888
bonds (distance) P-C4' energy: -78.249
flat angles C4'-P-C4' energy: -85.613
flat angles P-C4'-P energy: -55.217
tors. eta vs tors. theta energy: -103.628
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: 2
=====================================
Write number: 57
Temperature: 0.950000
Total energy: -1208.079223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1208.079223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1208.079223 (E_RNA)
where:
Base-Base interactions energy: -816.359
where: short stacking energy: -364.920
Base-Backbone interact. energy: -2.392
local terms energy: -389.328279
where:
bonds (distance) C4'-P energy: -71.612
bonds (distance) P-C4' energy: -74.998
flat angles C4'-P-C4' energy: -88.033
flat angles P-C4'-P energy: -53.962
tors. eta vs tors. theta energy: -100.723
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: 3, replica: 8
=====================================
Write number: 57
Temperature: 1.000000
Total energy: -1198.758182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1198.758182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1198.758182 (E_RNA)
where:
Base-Base interactions energy: -817.065
where: short stacking energy: -354.562
Base-Backbone interact. energy: -1.703
local terms energy: -379.989582
where:
bonds (distance) C4'-P energy: -72.449
bonds (distance) P-C4' energy: -78.031
flat angles C4'-P-C4' energy: -78.405
flat angles P-C4'-P energy: -50.514
tors. eta vs tors. theta energy: -100.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 57
Temperature: 1.050000
Total energy: -1093.810959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1093.810959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1093.810959 (E_RNA)
where:
Base-Base interactions energy: -766.451
where: short stacking energy: -316.921
Base-Backbone interact. energy: 0.651
local terms energy: -328.010774
where:
bonds (distance) C4'-P energy: -61.597
bonds (distance) P-C4' energy: -72.878
flat angles C4'-P-C4' energy: -83.091
flat angles P-C4'-P energy: -46.189
tors. eta vs tors. theta energy: -64.257
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: 6
=====================================
Write number: 57
Temperature: 1.100000
Total energy: -1058.200411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1058.200411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1058.200411 (E_RNA)
where:
Base-Base interactions energy: -719.308
where: short stacking energy: -312.162
Base-Backbone interact. energy: -5.307
local terms energy: -333.585487
where:
bonds (distance) C4'-P energy: -68.252
bonds (distance) P-C4' energy: -72.091
flat angles C4'-P-C4' energy: -73.364
flat angles P-C4'-P energy: -46.047
tors. eta vs tors. theta energy: -73.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 57
Temperature: 1.150000
Total energy: -833.822431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -833.822431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -833.822431 (E_RNA)
where:
Base-Base interactions energy: -528.033
where: short stacking energy: -232.949
Base-Backbone interact. energy: -1.735
local terms energy: -304.054271
where:
bonds (distance) C4'-P energy: -70.917
bonds (distance) P-C4' energy: -72.097
flat angles C4'-P-C4' energy: -76.530
flat angles P-C4'-P energy: -42.652
tors. eta vs tors. theta energy: -41.858
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: 10
=====================================
Write number: 57
Temperature: 1.200000
Total energy: -775.064284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -775.064284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -775.064284 (E_RNA)
where:
Base-Base interactions energy: -494.030
where: short stacking energy: -234.945
Base-Backbone interact. energy: 0.805
local terms energy: -281.839042
where:
bonds (distance) C4'-P energy: -62.843
bonds (distance) P-C4' energy: -64.937
flat angles C4'-P-C4' energy: -65.755
flat angles P-C4'-P energy: -46.196
tors. eta vs tors. theta energy: -42.108
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: 1
=====================================
Write number: 57
Temperature: 1.250000
Total energy: -762.794280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -762.794280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -762.794280 (E_RNA)
where:
Base-Base interactions energy: -501.800
where: short stacking energy: -215.159
Base-Backbone interact. energy: -2.472
local terms energy: -258.522829
where:
bonds (distance) C4'-P energy: -60.830
bonds (distance) P-C4' energy: -55.964
flat angles C4'-P-C4' energy: -63.414
flat angles P-C4'-P energy: -41.645
tors. eta vs tors. theta energy: -36.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 57
Temperature: 1.300000
Total energy: -473.238405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.238405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.238405 (E_RNA)
where:
Base-Base interactions energy: -252.644
where: short stacking energy: -138.976
Base-Backbone interact. energy: 1.869
local terms energy: -222.463000
where:
bonds (distance) C4'-P energy: -61.339
bonds (distance) P-C4' energy: -64.072
flat angles C4'-P-C4' energy: -55.436
flat angles P-C4'-P energy: -37.002
tors. eta vs tors. theta energy: -4.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 57
Temperature: 1.350000
Total energy: -391.769030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.769030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.769030 (E_RNA)
where:
Base-Base interactions energy: -160.037
where: short stacking energy: -107.234
Base-Backbone interact. energy: -2.661
local terms energy: -229.071333
where:
bonds (distance) C4'-P energy: -61.002
bonds (distance) P-C4' energy: -74.989
flat angles C4'-P-C4' energy: -56.667
flat angles P-C4'-P energy: -38.925
tors. eta vs tors. theta energy: 2.512
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: 3
=====================================
Write number: 58
Temperature: 0.900000
Total energy: -1233.191156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1233.191156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1233.191156 (E_RNA)
where:
Base-Base interactions energy: -839.355
where: short stacking energy: -375.393
Base-Backbone interact. energy: -3.109
local terms energy: -390.727510
where:
bonds (distance) C4'-P energy: -78.294
bonds (distance) P-C4' energy: -77.024
flat angles C4'-P-C4' energy: -80.100
flat angles P-C4'-P energy: -50.746
tors. eta vs tors. theta energy: -104.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 58
Temperature: 0.950000
Total energy: -1181.555963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1181.555963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1181.555963 (E_RNA)
where:
Base-Base interactions energy: -824.885
where: short stacking energy: -342.685
Base-Backbone interact. energy: -0.990
local terms energy: -355.681555
where:
bonds (distance) C4'-P energy: -64.700
bonds (distance) P-C4' energy: -72.523
flat angles C4'-P-C4' energy: -85.209
flat angles P-C4'-P energy: -53.594
tors. eta vs tors. theta energy: -79.656
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: 3, replica: 8
=====================================
Write number: 58
Temperature: 1.000000
Total energy: -1181.607574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1181.607574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1181.607574 (E_RNA)
where:
Base-Base interactions energy: -791.912
where: short stacking energy: -344.419
Base-Backbone interact. energy: -1.163
local terms energy: -388.532507
where:
bonds (distance) C4'-P energy: -71.696
bonds (distance) P-C4' energy: -70.712
flat angles C4'-P-C4' energy: -81.314
flat angles P-C4'-P energy: -55.025
tors. eta vs tors. theta energy: -109.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 58
Temperature: 1.050000
Total energy: -1072.419741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1072.419741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1072.419741 (E_RNA)
where:
Base-Base interactions energy: -748.117
where: short stacking energy: -277.987
Base-Backbone interact. energy: 6.288
local terms energy: -330.590068
where:
bonds (distance) C4'-P energy: -75.528
bonds (distance) P-C4' energy: -75.512
flat angles C4'-P-C4' energy: -80.168
flat angles P-C4'-P energy: -35.856
tors. eta vs tors. theta energy: -63.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 58
Temperature: 1.100000
Total energy: -1090.583116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1090.583116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1090.583116 (E_RNA)
where:
Base-Base interactions energy: -757.663
where: short stacking energy: -333.544
Base-Backbone interact. energy: 0.333
local terms energy: -333.253265
where:
bonds (distance) C4'-P energy: -63.829
bonds (distance) P-C4' energy: -70.443
flat angles C4'-P-C4' energy: -76.284
flat angles P-C4'-P energy: -38.882
tors. eta vs tors. theta energy: -83.816
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: 7
=====================================
Write number: 58
Temperature: 1.150000
Total energy: -825.042387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -825.042387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -825.042387 (E_RNA)
where:
Base-Base interactions energy: -525.668
where: short stacking energy: -250.564
Base-Backbone interact. energy: -1.206
local terms energy: -298.168912
where:
bonds (distance) C4'-P energy: -75.789
bonds (distance) P-C4' energy: -68.264
flat angles C4'-P-C4' energy: -70.271
flat angles P-C4'-P energy: -45.083
tors. eta vs tors. theta energy: -38.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 58
Temperature: 1.200000
Total energy: -795.768035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -795.768035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -795.768035 (E_RNA)
where:
Base-Base interactions energy: -470.319
where: short stacking energy: -239.116
Base-Backbone interact. energy: -0.685
local terms energy: -324.764063
where:
bonds (distance) C4'-P energy: -67.418
bonds (distance) P-C4' energy: -63.978
flat angles C4'-P-C4' energy: -74.129
flat angles P-C4'-P energy: -51.386
tors. eta vs tors. theta energy: -67.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 58
Temperature: 1.250000
Total energy: -754.240067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -754.240067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -754.240067 (E_RNA)
where:
Base-Base interactions energy: -483.184
where: short stacking energy: -216.521
Base-Backbone interact. energy: 0.008
local terms energy: -271.064608
where:
bonds (distance) C4'-P energy: -49.868
bonds (distance) P-C4' energy: -61.574
flat angles C4'-P-C4' energy: -75.657
flat angles P-C4'-P energy: -44.313
tors. eta vs tors. theta energy: -39.653
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: 4
=====================================
Write number: 58
Temperature: 1.300000
Total energy: -448.101744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.101744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.101744 (E_RNA)
where:
Base-Base interactions energy: -239.326
where: short stacking energy: -147.112
Base-Backbone interact. energy: -1.213
local terms energy: -207.562393
where:
bonds (distance) C4'-P energy: -58.413
bonds (distance) P-C4' energy: -56.253
flat angles C4'-P-C4' energy: -61.490
flat angles P-C4'-P energy: -30.509
tors. eta vs tors. theta energy: -0.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 58
Temperature: 1.350000
Total energy: -384.086093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.086093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.086093 (E_RNA)
where:
Base-Base interactions energy: -172.259
where: short stacking energy: -109.937
Base-Backbone interact. energy: -1.595
local terms energy: -210.232436
where:
bonds (distance) C4'-P energy: -55.505
bonds (distance) P-C4' energy: -67.593
flat angles C4'-P-C4' energy: -57.920
flat angles P-C4'-P energy: -29.362
tors. eta vs tors. theta energy: 0.149
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: 3
=====================================
Write number: 59
Temperature: 0.900000
Total energy: -1273.081079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1273.081079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1273.081079 (E_RNA)
where:
Base-Base interactions energy: -874.772
where: short stacking energy: -367.912
Base-Backbone interact. energy: -1.800
local terms energy: -396.508416
where:
bonds (distance) C4'-P energy: -82.147
bonds (distance) P-C4' energy: -74.243
flat angles C4'-P-C4' energy: -77.075
flat angles P-C4'-P energy: -61.770
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: 2, replica: 8
=====================================
Write number: 59
Temperature: 0.950000
Total energy: -1221.539878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1221.539878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1221.539878 (E_RNA)
where:
Base-Base interactions energy: -821.499
where: short stacking energy: -381.426
Base-Backbone interact. energy: -1.589
local terms energy: -398.451717
where:
bonds (distance) C4'-P energy: -76.211
bonds (distance) P-C4' energy: -81.168
flat angles C4'-P-C4' energy: -79.627
flat angles P-C4'-P energy: -59.783
tors. eta vs tors. theta energy: -101.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 59
Temperature: 1.000000
Total energy: -1159.891283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1159.891283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1159.891283 (E_RNA)
where:
Base-Base interactions energy: -800.605
where: short stacking energy: -330.543
Base-Backbone interact. energy: -5.065
local terms energy: -354.221443
where:
bonds (distance) C4'-P energy: -54.224
bonds (distance) P-C4' energy: -76.644
flat angles C4'-P-C4' energy: -81.144
flat angles P-C4'-P energy: -52.059
tors. eta vs tors. theta energy: -90.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 59
Temperature: 1.050000
Total energy: -1113.686878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1113.686878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1113.686878 (E_RNA)
where:
Base-Base interactions energy: -759.535
where: short stacking energy: -293.146
Base-Backbone interact. energy: -0.727
local terms energy: -353.424759
where:
bonds (distance) C4'-P energy: -77.557
bonds (distance) P-C4' energy: -76.840
flat angles C4'-P-C4' energy: -75.160
flat angles P-C4'-P energy: -54.987
tors. eta vs tors. theta energy: -68.880
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: 6
=====================================
Write number: 59
Temperature: 1.100000
Total energy: -1048.737068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1048.737068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1048.737068 (E_RNA)
where:
Base-Base interactions energy: -699.957
where: short stacking energy: -302.643
Base-Backbone interact. energy: -1.108
local terms energy: -347.672281
where:
bonds (distance) C4'-P energy: -64.014
bonds (distance) P-C4' energy: -70.951
flat angles C4'-P-C4' energy: -82.061
flat angles P-C4'-P energy: -39.001
tors. eta vs tors. theta energy: -91.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 59
Temperature: 1.150000
Total energy: -776.207447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -776.207447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -776.207447 (E_RNA)
where:
Base-Base interactions energy: -496.883
where: short stacking energy: -198.090
Base-Backbone interact. energy: -1.975
local terms energy: -277.349625
where:
bonds (distance) C4'-P energy: -74.102
bonds (distance) P-C4' energy: -55.145
flat angles C4'-P-C4' energy: -70.227
flat angles P-C4'-P energy: -50.038
tors. eta vs tors. theta energy: -27.838
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: 7, replica: 10
=====================================
Write number: 59
Temperature: 1.200000
Total energy: -751.647126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -751.647126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -751.647126 (E_RNA)
where:
Base-Base interactions energy: -457.407
where: short stacking energy: -204.907
Base-Backbone interact. energy: -0.495
local terms energy: -293.745494
where:
bonds (distance) C4'-P energy: -72.605
bonds (distance) P-C4' energy: -68.633
flat angles C4'-P-C4' energy: -68.721
flat angles P-C4'-P energy: -44.040
tors. eta vs tors. theta energy: -39.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 59
Temperature: 1.250000
Total energy: -771.339040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -771.339040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -771.339040 (E_RNA)
where:
Base-Base interactions energy: -493.352
where: short stacking energy: -231.257
Base-Backbone interact. energy: -0.861
local terms energy: -277.125824
where:
bonds (distance) C4'-P energy: -61.312
bonds (distance) P-C4' energy: -65.867
flat angles C4'-P-C4' energy: -60.301
flat angles P-C4'-P energy: -49.597
tors. eta vs tors. theta energy: -40.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 59
Temperature: 1.300000
Total energy: -458.126041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.126041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.126041 (E_RNA)
where:
Base-Base interactions energy: -211.259
where: short stacking energy: -127.005
Base-Backbone interact. energy: -0.865
local terms energy: -246.002623
where:
bonds (distance) C4'-P energy: -69.154
bonds (distance) P-C4' energy: -73.518
flat angles C4'-P-C4' energy: -61.625
flat angles P-C4'-P energy: -31.165
tors. eta vs tors. theta energy: -10.541
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: 9
=====================================
Write number: 59
Temperature: 1.350000
Total energy: -411.918814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.918814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.918814 (E_RNA)
where:
Base-Base interactions energy: -191.503
where: short stacking energy: -125.379
Base-Backbone interact. energy: -1.793
local terms energy: -218.622734
where:
bonds (distance) C4'-P energy: -53.849
bonds (distance) P-C4' energy: -62.317
flat angles C4'-P-C4' energy: -55.907
flat angles P-C4'-P energy: -32.720
tors. eta vs tors. theta energy: -13.829
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: 8
=====================================
Write number: 60
Temperature: 0.900000
Total energy: -1255.803651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1255.803651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1255.803651 (E_RNA)
where:
Base-Base interactions energy: -850.615
where: short stacking energy: -387.505
Base-Backbone interact. energy: -1.568
local terms energy: -403.620399
where:
bonds (distance) C4'-P energy: -72.375
bonds (distance) P-C4' energy: -75.664
flat angles C4'-P-C4' energy: -90.270
flat angles P-C4'-P energy: -59.449
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: 60
Temperature: 0.950000
Total energy: -1258.278144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1258.278144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1258.278144 (E_RNA)
where:
Base-Base interactions energy: -848.176
where: short stacking energy: -362.491
Base-Backbone interact. energy: -3.668
local terms energy: -406.434347
where:
bonds (distance) C4'-P energy: -83.537
bonds (distance) P-C4' energy: -72.206
flat angles C4'-P-C4' energy: -85.623
flat angles P-C4'-P energy: -61.260
tors. eta vs tors. theta energy: -103.809
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: 2
=====================================
Write number: 60
Temperature: 1.000000
Total energy: -1181.006914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1181.006914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1181.006914 (E_RNA)
where:
Base-Base interactions energy: -805.770
where: short stacking energy: -346.379
Base-Backbone interact. energy: 1.392
local terms energy: -376.628773
where:
bonds (distance) C4'-P energy: -70.556
bonds (distance) P-C4' energy: -82.569
flat angles C4'-P-C4' energy: -73.728
flat angles P-C4'-P energy: -63.419
tors. eta vs tors. theta energy: -86.356
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: 4, replica: 5
=====================================
Write number: 60
Temperature: 1.050000
Total energy: -1114.436524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1114.436524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1114.436524 (E_RNA)
where:
Base-Base interactions energy: -780.224
where: short stacking energy: -315.409
Base-Backbone interact. energy: 0.295
local terms energy: -334.507033
where:
bonds (distance) C4'-P energy: -63.084
bonds (distance) P-C4' energy: -79.353
flat angles C4'-P-C4' energy: -71.169
flat angles P-C4'-P energy: -52.267
tors. eta vs tors. theta energy: -68.634
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: 6
=====================================
Write number: 60
Temperature: 1.100000
Total energy: -1071.294956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1071.294956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1071.294956 (E_RNA)
where:
Base-Base interactions energy: -724.717
where: short stacking energy: -304.825
Base-Backbone interact. energy: -5.195
local terms energy: -341.382623
where:
bonds (distance) C4'-P energy: -72.741
bonds (distance) P-C4' energy: -61.041
flat angles C4'-P-C4' energy: -81.482
flat angles P-C4'-P energy: -45.091
tors. eta vs tors. theta energy: -81.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 60
Temperature: 1.150000
Total energy: -790.114379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -790.114379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -790.114379 (E_RNA)
where:
Base-Base interactions energy: -494.246
where: short stacking energy: -242.394
Base-Backbone interact. energy: -0.433
local terms energy: -295.435025
where:
bonds (distance) C4'-P energy: -62.627
bonds (distance) P-C4' energy: -72.120
flat angles C4'-P-C4' energy: -75.271
flat angles P-C4'-P energy: -41.438
tors. eta vs tors. theta energy: -43.980
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: 1
=====================================
Write number: 60
Temperature: 1.200000
Total energy: -888.619452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -888.619452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -888.619452 (E_RNA)
where:
Base-Base interactions energy: -586.261
where: short stacking energy: -259.746
Base-Backbone interact. energy: 0.991
local terms energy: -303.349073
where:
bonds (distance) C4'-P energy: -52.369
bonds (distance) P-C4' energy: -66.233
flat angles C4'-P-C4' energy: -79.809
flat angles P-C4'-P energy: -47.251
tors. eta vs tors. theta energy: -57.687
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: 10
=====================================
Write number: 60
Temperature: 1.250000
Total energy: -716.664097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -716.664097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -716.664097 (E_RNA)
where:
Base-Base interactions energy: -454.939
where: short stacking energy: -248.476
Base-Backbone interact. energy: -2.034
local terms energy: -259.690887
where:
bonds (distance) C4'-P energy: -51.032
bonds (distance) P-C4' energy: -62.483
flat angles C4'-P-C4' energy: -58.053
flat angles P-C4'-P energy: -39.297
tors. eta vs tors. theta energy: -48.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 60
Temperature: 1.300000
Total energy: -439.418370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.418370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.418370 (E_RNA)
where:
Base-Base interactions energy: -215.705
where: short stacking energy: -143.700
Base-Backbone interact. energy: 0.032
local terms energy: -223.746234
where:
bonds (distance) C4'-P energy: -54.476
bonds (distance) P-C4' energy: -60.465
flat angles C4'-P-C4' energy: -60.756
flat angles P-C4'-P energy: -34.110
tors. eta vs tors. theta energy: -13.939
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: 9
=====================================
Write number: 60
Temperature: 1.350000
Total energy: -402.634075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.634075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.634075 (E_RNA)
where:
Base-Base interactions energy: -190.218
where: short stacking energy: -121.727
Base-Backbone interact. energy: 0.333
local terms energy: -212.748379
where:
bonds (distance) C4'-P energy: -56.101
bonds (distance) P-C4' energy: -62.785
flat angles C4'-P-C4' energy: -59.318
flat angles P-C4'-P energy: -30.451
tors. eta vs tors. theta energy: -4.094
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: 1, replica: 8
=====================================
Write number: 61
Temperature: 0.900000
Total energy: -1240.288833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1240.288833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1240.288833 (E_RNA)
where:
Base-Base interactions energy: -842.482
where: short stacking energy: -372.167
Base-Backbone interact. energy: -1.501
local terms energy: -396.305346
where:
bonds (distance) C4'-P energy: -72.416
bonds (distance) P-C4' energy: -78.346
flat angles C4'-P-C4' energy: -84.201
flat angles P-C4'-P energy: -56.591
tors. eta vs tors. theta energy: -104.751
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: 61
Temperature: 0.950000
Total energy: -1236.137385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1236.137385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1236.137385 (E_RNA)
where:
Base-Base interactions energy: -855.802
where: short stacking energy: -363.700
Base-Backbone interact. energy: -3.258
local terms energy: -377.077465
where:
bonds (distance) C4'-P energy: -56.302
bonds (distance) P-C4' energy: -85.760
flat angles C4'-P-C4' energy: -73.538
flat angles P-C4'-P energy: -57.181
tors. eta vs tors. theta energy: -104.297
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: 2
=====================================
Write number: 61
Temperature: 1.000000
Total energy: -1157.573767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1157.573767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1157.573767 (E_RNA)
where:
Base-Base interactions energy: -791.650
where: short stacking energy: -334.125
Base-Backbone interact. energy: 2.551
local terms energy: -368.474628
where:
bonds (distance) C4'-P energy: -69.968
bonds (distance) P-C4' energy: -76.630
flat angles C4'-P-C4' energy: -84.715
flat angles P-C4'-P energy: -49.821
tors. eta vs tors. theta energy: -87.340
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: 4, replica: 6
=====================================
Write number: 61
Temperature: 1.050000
Total energy: -1136.785870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1136.785870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1136.785870 (E_RNA)
where:
Base-Base interactions energy: -788.243
where: short stacking energy: -321.116
Base-Backbone interact. energy: -1.122
local terms energy: -347.420886
where:
bonds (distance) C4'-P energy: -70.183
bonds (distance) P-C4' energy: -68.107
flat angles C4'-P-C4' energy: -76.714
flat angles P-C4'-P energy: -43.632
tors. eta vs tors. theta energy: -88.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 61
Temperature: 1.100000
Total energy: -1079.427634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1079.427634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1079.427634 (E_RNA)
where:
Base-Base interactions energy: -740.852
where: short stacking energy: -287.246
Base-Backbone interact. energy: 4.923
local terms energy: -343.498454
where:
bonds (distance) C4'-P energy: -71.803
bonds (distance) P-C4' energy: -77.743
flat angles C4'-P-C4' energy: -76.665
flat angles P-C4'-P energy: -48.123
tors. eta vs tors. theta energy: -69.164
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: 6, replica: 1
=====================================
Write number: 61
Temperature: 1.150000
Total energy: -968.430019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -968.430019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -968.430019 (E_RNA)
where:
Base-Base interactions energy: -656.351
where: short stacking energy: -292.941
Base-Backbone interact. energy: -1.303
local terms energy: -310.776679
where:
bonds (distance) C4'-P energy: -63.807
bonds (distance) P-C4' energy: -74.610
flat angles C4'-P-C4' energy: -59.893
flat angles P-C4'-P energy: -37.481
tors. eta vs tors. theta energy: -74.986
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: 7, replica: 7
=====================================
Write number: 61
Temperature: 1.200000
Total energy: -728.010909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -728.010909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -728.010909 (E_RNA)
where:
Base-Base interactions energy: -444.174
where: short stacking energy: -234.545
Base-Backbone interact. energy: -1.308
local terms energy: -282.528877
where:
bonds (distance) C4'-P energy: -59.365
bonds (distance) P-C4' energy: -61.106
flat angles C4'-P-C4' energy: -74.196
flat angles P-C4'-P energy: -44.478
tors. eta vs tors. theta energy: -43.385
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: 10
=====================================
Write number: 61
Temperature: 1.250000
Total energy: -726.894025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -726.894025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -726.894025 (E_RNA)
where:
Base-Base interactions energy: -452.629
where: short stacking energy: -213.241
Base-Backbone interact. energy: 4.760
local terms energy: -279.024744
where:
bonds (distance) C4'-P energy: -66.380
bonds (distance) P-C4' energy: -64.583
flat angles C4'-P-C4' energy: -62.308
flat angles P-C4'-P energy: -51.046
tors. eta vs tors. theta energy: -34.708
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: 4
=====================================
Write number: 61
Temperature: 1.300000
Total energy: -417.709357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.709357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.709357 (E_RNA)
where:
Base-Base interactions energy: -190.021
where: short stacking energy: -128.593
Base-Backbone interact. energy: 1.529
local terms energy: -229.217131
where:
bonds (distance) C4'-P energy: -61.518
bonds (distance) P-C4' energy: -66.978
flat angles C4'-P-C4' energy: -60.501
flat angles P-C4'-P energy: -31.794
tors. eta vs tors. theta energy: -8.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 61
Temperature: 1.350000
Total energy: -432.592495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -432.592495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.592495 (E_RNA)
where:
Base-Base interactions energy: -204.278
where: short stacking energy: -116.193
Base-Backbone interact. energy: -0.937
local terms energy: -227.377948
where:
bonds (distance) C4'-P energy: -61.226
bonds (distance) P-C4' energy: -60.274
flat angles C4'-P-C4' energy: -64.604
flat angles P-C4'-P energy: -42.771
tors. eta vs tors. theta energy: 1.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 62
Temperature: 0.900000
Total energy: -1263.306032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1263.306032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1263.306032 (E_RNA)
where:
Base-Base interactions energy: -862.638
where: short stacking energy: -400.191
Base-Backbone interact. energy: 1.418
local terms energy: -402.086196
where:
bonds (distance) C4'-P energy: -65.279
bonds (distance) P-C4' energy: -82.258
flat angles C4'-P-C4' energy: -83.232
flat angles P-C4'-P energy: -50.334
tors. eta vs tors. theta energy: -120.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 62
Temperature: 0.950000
Total energy: -1240.107327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1240.107327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1240.107327 (E_RNA)
where:
Base-Base interactions energy: -843.491
where: short stacking energy: -376.566
Base-Backbone interact. energy: -2.502
local terms energy: -394.114036
where:
bonds (distance) C4'-P energy: -72.544
bonds (distance) P-C4' energy: -85.371
flat angles C4'-P-C4' energy: -78.794
flat angles P-C4'-P energy: -51.034
tors. eta vs tors. theta energy: -106.371
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: 2
=====================================
Write number: 62
Temperature: 1.000000
Total energy: -1150.635833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1150.635833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1150.635833 (E_RNA)
where:
Base-Base interactions energy: -779.379
where: short stacking energy: -337.980
Base-Backbone interact. energy: -2.094
local terms energy: -369.162883
where:
bonds (distance) C4'-P energy: -72.257
bonds (distance) P-C4' energy: -77.815
flat angles C4'-P-C4' energy: -74.227
flat angles P-C4'-P energy: -47.008
tors. eta vs tors. theta energy: -97.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 62
Temperature: 1.050000
Total energy: -1099.954217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1099.954217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1099.954217 (E_RNA)
where:
Base-Base interactions energy: -753.243
where: short stacking energy: -314.871
Base-Backbone interact. energy: 1.541
local terms energy: -348.678348
where:
bonds (distance) C4'-P energy: -63.788
bonds (distance) P-C4' energy: -72.091
flat angles C4'-P-C4' energy: -78.687
flat angles P-C4'-P energy: -51.044
tors. eta vs tors. theta energy: -83.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.426 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 62
Temperature: 1.100000
Total energy: -1064.388102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1064.388102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1064.388102 (E_RNA)
where:
Base-Base interactions energy: -761.514
where: short stacking energy: -294.099
Base-Backbone interact. energy: -2.084
local terms energy: -300.789466
where:
bonds (distance) C4'-P energy: -67.694
bonds (distance) P-C4' energy: -71.365
flat angles C4'-P-C4' energy: -61.812
flat angles P-C4'-P energy: -33.804
tors. eta vs tors. theta energy: -66.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 62
Temperature: 1.150000
Total energy: -979.359975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -979.359975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -979.359975 (E_RNA)
where:
Base-Base interactions energy: -652.030
where: short stacking energy: -256.800
Base-Backbone interact. energy: -1.888
local terms energy: -325.442100
where:
bonds (distance) C4'-P energy: -75.177
bonds (distance) P-C4' energy: -76.669
flat angles C4'-P-C4' energy: -75.048
flat angles P-C4'-P energy: -40.653
tors. eta vs tors. theta energy: -57.894
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: 10
=====================================
Write number: 62
Temperature: 1.200000
Total energy: -770.274842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -770.274842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -770.274842 (E_RNA)
where:
Base-Base interactions energy: -493.308
where: short stacking energy: -239.837
Base-Backbone interact. energy: -1.142
local terms energy: -275.824362
where:
bonds (distance) C4'-P energy: -67.560
bonds (distance) P-C4' energy: -58.481
flat angles C4'-P-C4' energy: -69.884
flat angles P-C4'-P energy: -43.136
tors. eta vs tors. theta energy: -36.763
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: 7
=====================================
Write number: 62
Temperature: 1.250000
Total energy: -704.370107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -704.370107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -704.370107 (E_RNA)
where:
Base-Base interactions energy: -445.911
where: short stacking energy: -206.495
Base-Backbone interact. energy: -1.458
local terms energy: -257.001181
where:
bonds (distance) C4'-P energy: -65.425
bonds (distance) P-C4' energy: -61.366
flat angles C4'-P-C4' energy: -61.617
flat angles P-C4'-P energy: -36.912
tors. eta vs tors. theta energy: -31.682
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: 9, replica: 9
=====================================
Write number: 62
Temperature: 1.300000
Total energy: -469.974195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.974195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.974195 (E_RNA)
where:
Base-Base interactions energy: -227.664
where: short stacking energy: -127.811
Base-Backbone interact. energy: 2.353
local terms energy: -244.662376
where:
bonds (distance) C4'-P energy: -73.927
bonds (distance) P-C4' energy: -67.893
flat angles C4'-P-C4' energy: -57.539
flat angles P-C4'-P energy: -41.829
tors. eta vs tors. theta energy: -3.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 62
Temperature: 1.350000
Total energy: -402.046071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.046071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.046071 (E_RNA)
where:
Base-Base interactions energy: -184.714
where: short stacking energy: -112.752
Base-Backbone interact. energy: 0.478
local terms energy: -217.809870
where:
bonds (distance) C4'-P energy: -65.517
bonds (distance) P-C4' energy: -62.866
flat angles C4'-P-C4' energy: -50.257
flat angles P-C4'-P energy: -39.650
tors. eta vs tors. theta energy: 0.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 63
Temperature: 0.900000
Total energy: -1266.885562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1266.885562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1266.885562 (E_RNA)
where:
Base-Base interactions energy: -857.480
where: short stacking energy: -385.201
Base-Backbone interact. energy: -1.631
local terms energy: -407.774361
where:
bonds (distance) C4'-P energy: -78.800
bonds (distance) P-C4' energy: -86.060
flat angles C4'-P-C4' energy: -92.544
flat angles P-C4'-P energy: -46.507
tors. eta vs tors. theta energy: -103.864
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: 63
Temperature: 0.950000
Total energy: -1246.048364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1246.048364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1246.048364 (E_RNA)
where:
Base-Base interactions energy: -836.782
where: short stacking energy: -379.218
Base-Backbone interact. energy: -3.646
local terms energy: -405.620908
where:
bonds (distance) C4'-P energy: -81.575
bonds (distance) P-C4' energy: -72.467
flat angles C4'-P-C4' energy: -84.684
flat angles P-C4'-P energy: -53.043
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: 3, replica: 2
=====================================
Write number: 63
Temperature: 1.000000
Total energy: -1142.601058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1142.601058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1142.601058 (E_RNA)
where:
Base-Base interactions energy: -780.496
where: short stacking energy: -342.327
Base-Backbone interact. energy: -1.931
local terms energy: -360.174728
where:
bonds (distance) C4'-P energy: -78.071
bonds (distance) P-C4' energy: -71.008
flat angles C4'-P-C4' energy: -81.467
flat angles P-C4'-P energy: -43.355
tors. eta vs tors. theta energy: -86.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 63
Temperature: 1.050000
Total energy: -1102.907009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1102.907009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1102.907009 (E_RNA)
where:
Base-Base interactions energy: -746.358
where: short stacking energy: -325.795
Base-Backbone interact. energy: 1.185
local terms energy: -358.923176
where:
bonds (distance) C4'-P energy: -73.059
bonds (distance) P-C4' energy: -74.601
flat angles C4'-P-C4' energy: -79.962
flat angles P-C4'-P energy: -50.395
tors. eta vs tors. theta energy: -80.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.189 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 63
Temperature: 1.100000
Total energy: -1029.725980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1029.725980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1029.725980 (E_RNA)
where:
Base-Base interactions energy: -711.073
where: short stacking energy: -283.004
Base-Backbone interact. energy: 2.864
local terms energy: -321.516516
where:
bonds (distance) C4'-P energy: -65.771
bonds (distance) P-C4' energy: -73.160
flat angles C4'-P-C4' energy: -72.841
flat angles P-C4'-P energy: -47.229
tors. eta vs tors. theta energy: -62.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 63
Temperature: 1.150000
Total energy: -1009.843898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1009.843898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1009.843898 (E_RNA)
where:
Base-Base interactions energy: -691.180
where: short stacking energy: -286.873
Base-Backbone interact. energy: -2.002
local terms energy: -316.661834
where:
bonds (distance) C4'-P energy: -57.692
bonds (distance) P-C4' energy: -59.735
flat angles C4'-P-C4' energy: -77.860
flat angles P-C4'-P energy: -44.553
tors. eta vs tors. theta energy: -76.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 63
Temperature: 1.200000
Total energy: -769.828561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -769.828561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -769.828561 (E_RNA)
where:
Base-Base interactions energy: -496.598
where: short stacking energy: -245.711
Base-Backbone interact. energy: -1.291
local terms energy: -271.939257
where:
bonds (distance) C4'-P energy: -51.449
bonds (distance) P-C4' energy: -70.632
flat angles C4'-P-C4' energy: -59.045
flat angles P-C4'-P energy: -41.269
tors. eta vs tors. theta energy: -49.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 63
Temperature: 1.250000
Total energy: -753.750835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -753.750835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -753.750835 (E_RNA)
where:
Base-Base interactions energy: -480.128
where: short stacking energy: -220.278
Base-Backbone interact. energy: -1.277
local terms energy: -272.345891
where:
bonds (distance) C4'-P energy: -48.639
bonds (distance) P-C4' energy: -65.678
flat angles C4'-P-C4' energy: -76.424
flat angles P-C4'-P energy: -39.217
tors. eta vs tors. theta energy: -42.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 63
Temperature: 1.300000
Total energy: -461.581082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.581082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.581082 (E_RNA)
where:
Base-Base interactions energy: -214.623
where: short stacking energy: -144.150
Base-Backbone interact. energy: -2.157
local terms energy: -244.801440
where:
bonds (distance) C4'-P energy: -66.924
bonds (distance) P-C4' energy: -69.696
flat angles C4'-P-C4' energy: -60.394
flat angles P-C4'-P energy: -31.222
tors. eta vs tors. theta energy: -16.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 63
Temperature: 1.350000
Total energy: -411.172405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.172405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.172405 (E_RNA)
where:
Base-Base interactions energy: -188.637
where: short stacking energy: -111.907
Base-Backbone interact. energy: -3.320
local terms energy: -219.214933
where:
bonds (distance) C4'-P energy: -44.974
bonds (distance) P-C4' energy: -74.425
flat angles C4'-P-C4' energy: -62.013
flat angles P-C4'-P energy: -26.993
tors. eta vs tors. theta energy: -10.810
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: 1, replica: 3
=====================================
Write number: 64
Temperature: 0.900000
Total energy: -1256.951470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1256.951470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1256.951470 (E_RNA)
where:
Base-Base interactions energy: -847.475
where: short stacking energy: -387.983
Base-Backbone interact. energy: 0.485
local terms energy: -409.961684
where:
bonds (distance) C4'-P energy: -82.619
bonds (distance) P-C4' energy: -72.291
flat angles C4'-P-C4' energy: -87.168
flat angles P-C4'-P energy: -55.541
tors. eta vs tors. theta energy: -112.342
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: 2, replica: 8
=====================================
Write number: 64
Temperature: 0.950000
Total energy: -1272.119728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1272.119728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1272.119728 (E_RNA)
where:
Base-Base interactions energy: -860.348
where: short stacking energy: -378.825
Base-Backbone interact. energy: -1.741
local terms energy: -410.031572
where:
bonds (distance) C4'-P energy: -72.478
bonds (distance) P-C4' energy: -83.565
flat angles C4'-P-C4' energy: -83.941
flat angles P-C4'-P energy: -54.419
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: 3, replica: 2
=====================================
Write number: 64
Temperature: 1.000000
Total energy: -1141.057936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1141.057936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1141.057936 (E_RNA)
where:
Base-Base interactions energy: -772.081
where: short stacking energy: -319.694
Base-Backbone interact. energy: -1.428
local terms energy: -367.549287
where:
bonds (distance) C4'-P energy: -83.617
bonds (distance) P-C4' energy: -72.726
flat angles C4'-P-C4' energy: -78.676
flat angles P-C4'-P energy: -49.712
tors. eta vs tors. theta energy: -82.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 64
Temperature: 1.050000
Total energy: -1063.018860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1063.018860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1063.018860 (E_RNA)
where:
Base-Base interactions energy: -729.294
where: short stacking energy: -302.831
Base-Backbone interact. energy: -0.102
local terms energy: -333.623171
where:
bonds (distance) C4'-P energy: -67.550
bonds (distance) P-C4' energy: -70.208
flat angles C4'-P-C4' energy: -73.420
flat angles P-C4'-P energy: -46.253
tors. eta vs tors. theta energy: -76.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 64
Temperature: 1.100000
Total energy: -1036.833693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1036.833693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1036.833693 (E_RNA)
where:
Base-Base interactions energy: -707.938
where: short stacking energy: -292.927
Base-Backbone interact. energy: 1.210
local terms energy: -330.105907
where:
bonds (distance) C4'-P energy: -66.263
bonds (distance) P-C4' energy: -67.093
flat angles C4'-P-C4' energy: -75.671
flat angles P-C4'-P energy: -52.383
tors. eta vs tors. theta energy: -68.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 64
Temperature: 1.150000
Total energy: -978.368504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -978.368504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -978.368504 (E_RNA)
where:
Base-Base interactions energy: -664.382
where: short stacking energy: -283.569
Base-Backbone interact. energy: -3.295
local terms energy: -310.691367
where:
bonds (distance) C4'-P energy: -47.407
bonds (distance) P-C4' energy: -63.215
flat angles C4'-P-C4' energy: -77.335
flat angles P-C4'-P energy: -45.862
tors. eta vs tors. theta energy: -76.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 64
Temperature: 1.200000
Total energy: -774.806160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -774.806160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -774.806160 (E_RNA)
where:
Base-Base interactions energy: -473.393
where: short stacking energy: -229.993
Base-Backbone interact. energy: -0.596
local terms energy: -300.817314
where:
bonds (distance) C4'-P energy: -70.770
bonds (distance) P-C4' energy: -66.824
flat angles C4'-P-C4' energy: -75.840
flat angles P-C4'-P energy: -44.056
tors. eta vs tors. theta energy: -43.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 64
Temperature: 1.250000
Total energy: -768.098430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -768.098430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -768.098430 (E_RNA)
where:
Base-Base interactions energy: -486.109
where: short stacking energy: -225.394
Base-Backbone interact. energy: -1.252
local terms energy: -280.737557
where:
bonds (distance) C4'-P energy: -66.171
bonds (distance) P-C4' energy: -63.512
flat angles C4'-P-C4' energy: -60.615
flat angles P-C4'-P energy: -39.232
tors. eta vs tors. theta energy: -51.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 64
Temperature: 1.300000
Total energy: -444.966478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.966478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.966478 (E_RNA)
where:
Base-Base interactions energy: -218.332
where: short stacking energy: -149.547
Base-Backbone interact. energy: -3.283
local terms energy: -223.351573
where:
bonds (distance) C4'-P energy: -53.343
bonds (distance) P-C4' energy: -61.756
flat angles C4'-P-C4' energy: -66.023
flat angles P-C4'-P energy: -29.605
tors. eta vs tors. theta energy: -12.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 64
Temperature: 1.350000
Total energy: -386.688430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.688430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.688430 (E_RNA)
where:
Base-Base interactions energy: -156.256
where: short stacking energy: -108.548
Base-Backbone interact. energy: 0.668
local terms energy: -231.100167
where:
bonds (distance) C4'-P energy: -64.949
bonds (distance) P-C4' energy: -64.043
flat angles C4'-P-C4' energy: -57.194
flat angles P-C4'-P energy: -30.873
tors. eta vs tors. theta energy: -14.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 65
Temperature: 0.900000
Total energy: -1263.037329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1263.037329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1263.037329 (E_RNA)
where:
Base-Base interactions energy: -860.992
where: short stacking energy: -377.716
Base-Backbone interact. energy: -0.679
local terms energy: -401.366505
where:
bonds (distance) C4'-P energy: -57.556
bonds (distance) P-C4' energy: -86.943
flat angles C4'-P-C4' energy: -91.407
flat angles P-C4'-P energy: -57.227
tors. eta vs tors. theta energy: -108.234
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: 2, replica: 8
=====================================
Write number: 65
Temperature: 0.950000
Total energy: -1251.348730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1251.348730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1251.348730 (E_RNA)
where:
Base-Base interactions energy: -841.303
where: short stacking energy: -379.304
Base-Backbone interact. energy: 0.075
local terms energy: -410.120896
where:
bonds (distance) C4'-P energy: -76.938
bonds (distance) P-C4' energy: -79.823
flat angles C4'-P-C4' energy: -85.594
flat angles P-C4'-P energy: -59.929
tors. eta vs tors. theta energy: -107.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 65
Temperature: 1.000000
Total energy: -1193.332086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1193.332086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1193.332086 (E_RNA)
where:
Base-Base interactions energy: -843.041
where: short stacking energy: -331.708
Base-Backbone interact. energy: -2.961
local terms energy: -347.330661
where:
bonds (distance) C4'-P energy: -68.958
bonds (distance) P-C4' energy: -73.079
flat angles C4'-P-C4' energy: -78.090
flat angles P-C4'-P energy: -43.134
tors. eta vs tors. theta energy: -84.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 65
Temperature: 1.050000
Total energy: -1105.914315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1105.914315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1105.914315 (E_RNA)
where:
Base-Base interactions energy: -749.556
where: short stacking energy: -313.900
Base-Backbone interact. energy: -2.638
local terms energy: -353.720429
where:
bonds (distance) C4'-P energy: -73.980
bonds (distance) P-C4' energy: -70.972
flat angles C4'-P-C4' energy: -71.877
flat angles P-C4'-P energy: -55.382
tors. eta vs tors. theta energy: -81.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 65
Temperature: 1.100000
Total energy: -1009.900147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1009.900147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1009.900147 (E_RNA)
where:
Base-Base interactions energy: -680.576
where: short stacking energy: -266.810
Base-Backbone interact. energy: -0.301
local terms energy: -329.023696
where:
bonds (distance) C4'-P energy: -76.390
bonds (distance) P-C4' energy: -71.723
flat angles C4'-P-C4' energy: -74.461
flat angles P-C4'-P energy: -49.029
tors. eta vs tors. theta energy: -57.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 65
Temperature: 1.150000
Total energy: -1000.424229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1000.424229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1000.424229 (E_RNA)
where:
Base-Base interactions energy: -674.879
where: short stacking energy: -289.580
Base-Backbone interact. energy: -0.906
local terms energy: -324.638687
where:
bonds (distance) C4'-P energy: -68.043
bonds (distance) P-C4' energy: -75.736
flat angles C4'-P-C4' energy: -68.028
flat angles P-C4'-P energy: -40.775
tors. eta vs tors. theta energy: -72.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 65
Temperature: 1.200000
Total energy: -809.325468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -809.325468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -809.325468 (E_RNA)
where:
Base-Base interactions energy: -510.820
where: short stacking energy: -263.300
Base-Backbone interact. energy: 3.639
local terms energy: -302.144725
where:
bonds (distance) C4'-P energy: -54.340
bonds (distance) P-C4' energy: -67.440
flat angles C4'-P-C4' energy: -74.827
flat angles P-C4'-P energy: -47.895
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: 7
=====================================
Write number: 65
Temperature: 1.250000
Total energy: -743.823424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -743.823424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -743.823424 (E_RNA)
where:
Base-Base interactions energy: -472.222
where: short stacking energy: -216.916
Base-Backbone interact. energy: -0.897
local terms energy: -270.704557
where:
bonds (distance) C4'-P energy: -68.574
bonds (distance) P-C4' energy: -57.565
flat angles C4'-P-C4' energy: -73.844
flat angles P-C4'-P energy: -35.130
tors. eta vs tors. theta energy: -35.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 65
Temperature: 1.300000
Total energy: -469.265591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.265591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.265591 (E_RNA)
where:
Base-Base interactions energy: -247.246
where: short stacking energy: -134.164
Base-Backbone interact. energy: 1.991
local terms energy: -224.010252
where:
bonds (distance) C4'-P energy: -66.013
bonds (distance) P-C4' energy: -63.623
flat angles C4'-P-C4' energy: -50.067
flat angles P-C4'-P energy: -36.279
tors. eta vs tors. theta energy: -8.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 65
Temperature: 1.350000
Total energy: -345.616092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.616092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.616092 (E_RNA)
where:
Base-Base interactions energy: -131.702
where: short stacking energy: -103.954
Base-Backbone interact. energy: 3.069
local terms energy: -216.982890
where:
bonds (distance) C4'-P energy: -70.631
bonds (distance) P-C4' energy: -66.170
flat angles C4'-P-C4' energy: -53.581
flat angles P-C4'-P energy: -37.885
tors. eta vs tors. theta energy: 11.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 66
Temperature: 0.900000
Total energy: -1273.004878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1273.004878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1273.004878 (E_RNA)
where:
Base-Base interactions energy: -877.526
where: short stacking energy: -372.523
Base-Backbone interact. energy: -1.608
local terms energy: -393.870252
where:
bonds (distance) C4'-P energy: -71.198
bonds (distance) P-C4' energy: -75.948
flat angles C4'-P-C4' energy: -77.352
flat angles P-C4'-P energy: -61.767
tors. eta vs tors. theta energy: -107.604
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: 3
=====================================
Write number: 66
Temperature: 0.950000
Total energy: -1239.493785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1239.493785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1239.493785 (E_RNA)
where:
Base-Base interactions energy: -852.545
where: short stacking energy: -373.081
Base-Backbone interact. energy: -3.490
local terms energy: -383.458832
where:
bonds (distance) C4'-P energy: -68.239
bonds (distance) P-C4' energy: -78.931
flat angles C4'-P-C4' energy: -85.715
flat angles P-C4'-P energy: -49.593
tors. eta vs tors. theta energy: -100.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 66
Temperature: 1.000000
Total energy: -1182.258843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1182.258843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1182.258843 (E_RNA)
where:
Base-Base interactions energy: -805.372
where: short stacking energy: -340.015
Base-Backbone interact. energy: -3.459
local terms energy: -373.428203
where:
bonds (distance) C4'-P energy: -76.181
bonds (distance) P-C4' energy: -80.767
flat angles C4'-P-C4' energy: -77.096
flat angles P-C4'-P energy: -54.394
tors. eta vs tors. theta energy: -84.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 66
Temperature: 1.050000
Total energy: -1107.418012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1107.418012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1107.418012 (E_RNA)
where:
Base-Base interactions energy: -754.749
where: short stacking energy: -324.639
Base-Backbone interact. energy: -1.349
local terms energy: -352.538283
where:
bonds (distance) C4'-P energy: -76.393
bonds (distance) P-C4' energy: -53.318
flat angles C4'-P-C4' energy: -85.742
flat angles P-C4'-P energy: -56.351
tors. eta vs tors. theta energy: -80.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.218 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 66
Temperature: 1.100000
Total energy: -995.698863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -995.698863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -995.698863 (E_RNA)
where:
Base-Base interactions energy: -677.198
where: short stacking energy: -278.756
Base-Backbone interact. energy: -1.673
local terms energy: -316.827426
where:
bonds (distance) C4'-P energy: -61.750
bonds (distance) P-C4' energy: -75.437
flat angles C4'-P-C4' energy: -66.491
flat angles P-C4'-P energy: -48.124
tors. eta vs tors. theta energy: -65.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 66
Temperature: 1.150000
Total energy: -994.539023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -994.539023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -994.539023 (E_RNA)
where:
Base-Base interactions energy: -676.480
where: short stacking energy: -290.174
Base-Backbone interact. energy: 0.691
local terms energy: -318.749568
where:
bonds (distance) C4'-P energy: -60.272
bonds (distance) P-C4' energy: -78.241
flat angles C4'-P-C4' energy: -69.704
flat angles P-C4'-P energy: -35.396
tors. eta vs tors. theta energy: -75.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 66
Temperature: 1.200000
Total energy: -770.348080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -770.348080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -770.348080 (E_RNA)
where:
Base-Base interactions energy: -491.852
where: short stacking energy: -255.678
Base-Backbone interact. energy: -1.115
local terms energy: -277.380908
where:
bonds (distance) C4'-P energy: -40.190
bonds (distance) P-C4' energy: -73.550
flat angles C4'-P-C4' energy: -77.353
flat angles P-C4'-P energy: -36.581
tors. eta vs tors. theta energy: -49.706
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: 7
=====================================
Write number: 66
Temperature: 1.250000
Total energy: -744.215716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -744.215716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -744.215716 (E_RNA)
where:
Base-Base interactions energy: -477.037
where: short stacking energy: -223.789
Base-Backbone interact. energy: 2.431
local terms energy: -269.609760
where:
bonds (distance) C4'-P energy: -66.004
bonds (distance) P-C4' energy: -57.119
flat angles C4'-P-C4' energy: -64.981
flat angles P-C4'-P energy: -43.893
tors. eta vs tors. theta energy: -37.613
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: 9
=====================================
Write number: 66
Temperature: 1.300000
Total energy: -444.701898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.701898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.701898 (E_RNA)
where:
Base-Base interactions energy: -201.487
where: short stacking energy: -137.096
Base-Backbone interact. energy: 1.203
local terms energy: -244.960248
where:
bonds (distance) C4'-P energy: -64.412
bonds (distance) P-C4' energy: -61.611
flat angles C4'-P-C4' energy: -58.291
flat angles P-C4'-P energy: -39.668
tors. eta vs tors. theta energy: -20.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.542 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 66
Temperature: 1.350000
Total energy: -336.291322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.291322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.291322 (E_RNA)
where:
Base-Base interactions energy: -142.857
where: short stacking energy: -110.844
Base-Backbone interact. energy: 1.671
local terms energy: -195.105390
where:
bonds (distance) C4'-P energy: -44.441
bonds (distance) P-C4' energy: -73.476
flat angles C4'-P-C4' energy: -49.150
flat angles P-C4'-P energy: -32.699
tors. eta vs tors. theta energy: 4.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 67
Temperature: 0.900000
Total energy: -1280.795209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1280.795209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1280.795209 (E_RNA)
where:
Base-Base interactions energy: -861.430
where: short stacking energy: -390.802
Base-Backbone interact. energy: -0.524
local terms energy: -418.841898
where:
bonds (distance) C4'-P energy: -77.691
bonds (distance) P-C4' energy: -79.024
flat angles C4'-P-C4' energy: -90.230
flat angles P-C4'-P energy: -57.736
tors. eta vs tors. theta energy: -114.161
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: 3
=====================================
Write number: 67
Temperature: 0.950000
Total energy: -1232.100952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1232.100952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1232.100952 (E_RNA)
where:
Base-Base interactions energy: -837.576
where: short stacking energy: -367.684
Base-Backbone interact. energy: -1.742
local terms energy: -392.782789
where:
bonds (distance) C4'-P energy: -76.523
bonds (distance) P-C4' energy: -76.543
flat angles C4'-P-C4' energy: -84.781
flat angles P-C4'-P energy: -54.176
tors. eta vs tors. theta energy: -100.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 67
Temperature: 1.000000
Total energy: -1156.344572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1156.344572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1156.344572 (E_RNA)
where:
Base-Base interactions energy: -795.132
where: short stacking energy: -337.369
Base-Backbone interact. energy: -1.128
local terms energy: -360.084498
where:
bonds (distance) C4'-P energy: -76.707
bonds (distance) P-C4' energy: -71.642
flat angles C4'-P-C4' energy: -75.813
flat angles P-C4'-P energy: -48.787
tors. eta vs tors. theta energy: -87.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 67
Temperature: 1.050000
Total energy: -1113.454557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1113.454557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1113.454557 (E_RNA)
where:
Base-Base interactions energy: -762.655
where: short stacking energy: -314.095
Base-Backbone interact. energy: -6.324
local terms energy: -344.475988
where:
bonds (distance) C4'-P energy: -72.360
bonds (distance) P-C4' energy: -74.316
flat angles C4'-P-C4' energy: -72.938
flat angles P-C4'-P energy: -51.193
tors. eta vs tors. theta energy: -73.669
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: 5
=====================================
Write number: 67
Temperature: 1.100000
Total energy: -953.516110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -953.516110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -953.516110 (E_RNA)
where:
Base-Base interactions energy: -657.197
where: short stacking energy: -272.149
Base-Backbone interact. energy: -1.332
local terms energy: -294.986388
where:
bonds (distance) C4'-P energy: -69.547
bonds (distance) P-C4' energy: -56.967
flat angles C4'-P-C4' energy: -69.155
flat angles P-C4'-P energy: -36.102
tors. eta vs tors. theta energy: -63.215
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: 6, replica: 1
=====================================
Write number: 67
Temperature: 1.150000
Total energy: -1038.834380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1038.834380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1038.834380 (E_RNA)
where:
Base-Base interactions energy: -679.382
where: short stacking energy: -302.542
Base-Backbone interact. energy: -1.719
local terms energy: -357.733340
where:
bonds (distance) C4'-P energy: -67.085
bonds (distance) P-C4' energy: -77.924
flat angles C4'-P-C4' energy: -67.200
flat angles P-C4'-P energy: -62.658
tors. eta vs tors. theta energy: -82.866
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: 10
=====================================
Write number: 67
Temperature: 1.200000
Total energy: -808.469816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -808.469816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -808.469816 (E_RNA)
where:
Base-Base interactions energy: -495.887
where: short stacking energy: -261.167
Base-Backbone interact. energy: 1.274
local terms energy: -313.856579
where:
bonds (distance) C4'-P energy: -60.820
bonds (distance) P-C4' energy: -75.760
flat angles C4'-P-C4' energy: -67.439
flat angles P-C4'-P energy: -46.968
tors. eta vs tors. theta energy: -62.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 67
Temperature: 1.250000
Total energy: -748.001414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -748.001414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -748.001414 (E_RNA)
where:
Base-Base interactions energy: -469.617
where: short stacking energy: -208.131
Base-Backbone interact. energy: -2.406
local terms energy: -275.978616
where:
bonds (distance) C4'-P energy: -57.933
bonds (distance) P-C4' energy: -80.076
flat angles C4'-P-C4' energy: -50.353
flat angles P-C4'-P energy: -49.011
tors. eta vs tors. theta energy: -38.606
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: 9
=====================================
Write number: 67
Temperature: 1.300000
Total energy: -404.305502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.305502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.305502 (E_RNA)
where:
Base-Base interactions energy: -188.969
where: short stacking energy: -118.801
Base-Backbone interact. energy: -1.747
local terms energy: -213.589368
where:
bonds (distance) C4'-P energy: -52.346
bonds (distance) P-C4' energy: -74.650
flat angles C4'-P-C4' energy: -57.953
flat angles P-C4'-P energy: -28.111
tors. eta vs tors. theta energy: -0.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 67
Temperature: 1.350000
Total energy: -345.712346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.712346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.712346 (E_RNA)
where:
Base-Base interactions energy: -128.399
where: short stacking energy: -91.899
Base-Backbone interact. energy: -1.597
local terms energy: -215.715710
where:
bonds (distance) C4'-P energy: -69.752
bonds (distance) P-C4' energy: -61.506
flat angles C4'-P-C4' energy: -55.937
flat angles P-C4'-P energy: -32.722
tors. eta vs tors. theta energy: 4.202
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: 1, replica: 8
=====================================
Write number: 68
Temperature: 0.900000
Total energy: -1257.394052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1257.394052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1257.394052 (E_RNA)
where:
Base-Base interactions energy: -850.059
where: short stacking energy: -379.938
Base-Backbone interact. energy: -4.291
local terms energy: -403.221840
where:
bonds (distance) C4'-P energy: -82.320
bonds (distance) P-C4' energy: -78.268
flat angles C4'-P-C4' energy: -80.638
flat angles P-C4'-P energy: -55.062
tors. eta vs tors. theta energy: -106.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.178 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 68
Temperature: 0.950000
Total energy: -1220.761303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1220.761303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1220.761303 (E_RNA)
where:
Base-Base interactions energy: -828.735
where: short stacking energy: -369.169
Base-Backbone interact. energy: -1.399
local terms energy: -390.627550
where:
bonds (distance) C4'-P energy: -68.861
bonds (distance) P-C4' energy: -76.615
flat angles C4'-P-C4' energy: -84.174
flat angles P-C4'-P energy: -57.846
tors. eta vs tors. theta energy: -103.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 68
Temperature: 1.000000
Total energy: -1123.895806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1123.895806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1123.895806 (E_RNA)
where:
Base-Base interactions energy: -755.733
where: short stacking energy: -313.673
Base-Backbone interact. energy: -3.478
local terms energy: -364.684324
where:
bonds (distance) C4'-P energy: -84.675
bonds (distance) P-C4' energy: -73.535
flat angles C4'-P-C4' energy: -75.617
flat angles P-C4'-P energy: -52.824
tors. eta vs tors. theta energy: -78.033
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: 2
=====================================
Write number: 68
Temperature: 1.050000
Total energy: -1126.737196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1126.737196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1126.737196 (E_RNA)
where:
Base-Base interactions energy: -771.857
where: short stacking energy: -312.064
Base-Backbone interact. energy: -1.038
local terms energy: -353.842751
where:
bonds (distance) C4'-P energy: -75.034
bonds (distance) P-C4' energy: -63.228
flat angles C4'-P-C4' energy: -79.226
flat angles P-C4'-P energy: -49.128
tors. eta vs tors. theta energy: -87.227
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: 5, replica: 1
=====================================
Write number: 68
Temperature: 1.100000
Total energy: -1072.298759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1072.298759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1072.298759 (E_RNA)
where:
Base-Base interactions energy: -735.192
where: short stacking energy: -332.136
Base-Backbone interact. energy: -1.331
local terms energy: -335.776062
where:
bonds (distance) C4'-P energy: -63.089
bonds (distance) P-C4' energy: -62.808
flat angles C4'-P-C4' energy: -77.957
flat angles P-C4'-P energy: -50.367
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: 6, replica: 5
=====================================
Write number: 68
Temperature: 1.150000
Total energy: -957.280349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -957.280349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -957.280349 (E_RNA)
where:
Base-Base interactions energy: -637.817
where: short stacking energy: -271.659
Base-Backbone interact. energy: -2.497
local terms energy: -316.966743
where:
bonds (distance) C4'-P energy: -72.029
bonds (distance) P-C4' energy: -67.570
flat angles C4'-P-C4' energy: -73.337
flat angles P-C4'-P energy: -38.887
tors. eta vs tors. theta energy: -65.143
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: 10
=====================================
Write number: 68
Temperature: 1.200000
Total energy: -801.567180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -801.567180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -801.567180 (E_RNA)
where:
Base-Base interactions energy: -517.264
where: short stacking energy: -260.571
Base-Backbone interact. energy: 8.892
local terms energy: -293.194899
where:
bonds (distance) C4'-P energy: -64.054
bonds (distance) P-C4' energy: -67.433
flat angles C4'-P-C4' energy: -61.602
flat angles P-C4'-P energy: -42.404
tors. eta vs tors. theta energy: -57.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 68
Temperature: 1.250000
Total energy: -644.001811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -644.001811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -644.001811 (E_RNA)
where:
Base-Base interactions energy: -374.080
where: short stacking energy: -168.560
Base-Backbone interact. energy: -0.770
local terms energy: -269.151556
where:
bonds (distance) C4'-P energy: -64.225
bonds (distance) P-C4' energy: -68.668
flat angles C4'-P-C4' energy: -59.733
flat angles P-C4'-P energy: -52.100
tors. eta vs tors. theta energy: -24.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 68
Temperature: 1.300000
Total energy: -473.242019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.242019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.242019 (E_RNA)
where:
Base-Base interactions energy: -238.742
where: short stacking energy: -132.829
Base-Backbone interact. energy: -1.355
local terms energy: -233.463144
where:
bonds (distance) C4'-P energy: -60.810
bonds (distance) P-C4' energy: -76.385
flat angles C4'-P-C4' energy: -49.146
flat angles P-C4'-P energy: -45.001
tors. eta vs tors. theta energy: -2.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.318 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 68
Temperature: 1.350000
Total energy: -356.645135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.645135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.645135 (E_RNA)
where:
Base-Base interactions energy: -165.999
where: short stacking energy: -110.992
Base-Backbone interact. energy: 0.240
local terms energy: -190.886286
where:
bonds (distance) C4'-P energy: -70.954
bonds (distance) P-C4' energy: -67.261
flat angles C4'-P-C4' energy: -33.746
flat angles P-C4'-P energy: -30.143
tors. eta vs tors. theta energy: 11.218
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: 8
=====================================
Write number: 69
Temperature: 0.900000
Total energy: -1250.487622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1250.487622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1250.487622 (E_RNA)
where:
Base-Base interactions energy: -833.421
where: short stacking energy: -373.988
Base-Backbone interact. energy: -1.875
local terms energy: -415.523514
where:
bonds (distance) C4'-P energy: -78.404
bonds (distance) P-C4' energy: -81.385
flat angles C4'-P-C4' energy: -87.346
flat angles P-C4'-P energy: -56.057
tors. eta vs tors. theta energy: -112.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.332 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 69
Temperature: 0.950000
Total energy: -1220.601092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1220.601092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1220.601092 (E_RNA)
where:
Base-Base interactions energy: -844.605
where: short stacking energy: -385.495
Base-Backbone interact. energy: 2.854
local terms energy: -378.850153
where:
bonds (distance) C4'-P energy: -69.057
bonds (distance) P-C4' energy: -62.761
flat angles C4'-P-C4' energy: -85.205
flat angles P-C4'-P energy: -62.704
tors. eta vs tors. theta energy: -99.123
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: 6
=====================================
Write number: 69
Temperature: 1.000000
Total energy: -1127.886690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1127.886690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1127.886690 (E_RNA)
where:
Base-Base interactions energy: -758.605
where: short stacking energy: -329.092
Base-Backbone interact. energy: 3.413
local terms energy: -372.695378
where:
bonds (distance) C4'-P energy: -65.817
bonds (distance) P-C4' energy: -80.760
flat angles C4'-P-C4' energy: -83.548
flat angles P-C4'-P energy: -58.455
tors. eta vs tors. theta energy: -84.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 69
Temperature: 1.050000
Total energy: -1119.718188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1119.718188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1119.718188 (E_RNA)
where:
Base-Base interactions energy: -769.329
where: short stacking energy: -309.883
Base-Backbone interact. energy: -2.894
local terms energy: -347.495162
where:
bonds (distance) C4'-P energy: -73.711
bonds (distance) P-C4' energy: -71.093
flat angles C4'-P-C4' energy: -77.506
flat angles P-C4'-P energy: -50.292
tors. eta vs tors. theta energy: -74.894
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: 1
=====================================
Write number: 69
Temperature: 1.100000
Total energy: -1064.726055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1064.726055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1064.726055 (E_RNA)
where:
Base-Base interactions energy: -725.412
where: short stacking energy: -310.835
Base-Backbone interact. energy: -1.410
local terms energy: -337.904830
where:
bonds (distance) C4'-P energy: -61.446
bonds (distance) P-C4' energy: -74.588
flat angles C4'-P-C4' energy: -79.887
flat angles P-C4'-P energy: -44.983
tors. eta vs tors. theta energy: -77.001
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: 5
=====================================
Write number: 69
Temperature: 1.150000
Total energy: -971.806302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -971.806302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -971.806302 (E_RNA)
where:
Base-Base interactions energy: -638.532
where: short stacking energy: -276.521
Base-Backbone interact. energy: -1.905
local terms energy: -331.369298
where:
bonds (distance) C4'-P energy: -64.813
bonds (distance) P-C4' energy: -69.882
flat angles C4'-P-C4' energy: -78.246
flat angles P-C4'-P energy: -47.223
tors. eta vs tors. theta energy: -71.205
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: 7, replica: 10
=====================================
Write number: 69
Temperature: 1.200000
Total energy: -799.534443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -799.534443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -799.534443 (E_RNA)
where:
Base-Base interactions energy: -533.286
where: short stacking energy: -246.080
Base-Backbone interact. energy: 1.233
local terms energy: -267.509566
where:
bonds (distance) C4'-P energy: -57.960
bonds (distance) P-C4' energy: -47.176
flat angles C4'-P-C4' energy: -66.935
flat angles P-C4'-P energy: -46.065
tors. eta vs tors. theta energy: -49.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.028 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 69
Temperature: 1.250000
Total energy: -697.422560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -697.422560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -697.422560 (E_RNA)
where:
Base-Base interactions energy: -419.580
where: short stacking energy: -181.572
Base-Backbone interact. energy: -1.505
local terms energy: -276.337435
where:
bonds (distance) C4'-P energy: -64.144
bonds (distance) P-C4' energy: -74.349
flat angles C4'-P-C4' energy: -74.136
flat angles P-C4'-P energy: -41.811
tors. eta vs tors. theta energy: -21.896
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: 9
=====================================
Write number: 69
Temperature: 1.300000
Total energy: -472.958502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.958502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.958502 (E_RNA)
where:
Base-Base interactions energy: -261.546
where: short stacking energy: -127.141
Base-Backbone interact. energy: 0.589
local terms energy: -212.838964
where:
bonds (distance) C4'-P energy: -65.262
bonds (distance) P-C4' energy: -64.755
flat angles C4'-P-C4' energy: -53.260
flat angles P-C4'-P energy: -27.009
tors. eta vs tors. theta energy: -2.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.837 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 69
Temperature: 1.350000
Total energy: -320.294881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.294881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.294881 (E_RNA)
where:
Base-Base interactions energy: -124.837
where: short stacking energy: -90.059
Base-Backbone interact. energy: 0.924
local terms energy: -196.382561
where:
bonds (distance) C4'-P energy: -63.182
bonds (distance) P-C4' energy: -60.362
flat angles C4'-P-C4' energy: -54.024
flat angles P-C4'-P energy: -28.243
tors. eta vs tors. theta energy: 9.429
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: 8
=====================================
Write number: 70
Temperature: 0.900000
Total energy: -1239.513212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1239.513212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1239.513212 (E_RNA)
where:
Base-Base interactions energy: -842.654
where: short stacking energy: -380.584
Base-Backbone interact. energy: -0.828
local terms energy: -396.031704
where:
bonds (distance) C4'-P energy: -72.919
bonds (distance) P-C4' energy: -75.365
flat angles C4'-P-C4' energy: -87.139
flat angles P-C4'-P energy: -50.237
tors. eta vs tors. theta energy: -110.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 70
Temperature: 0.950000
Total energy: -1215.121596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1215.121596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1215.121596 (E_RNA)
where:
Base-Base interactions energy: -820.630
where: short stacking energy: -372.939
Base-Backbone interact. energy: -2.136
local terms energy: -392.355043
where:
bonds (distance) C4'-P energy: -69.092
bonds (distance) P-C4' energy: -83.347
flat angles C4'-P-C4' energy: -79.511
flat angles P-C4'-P energy: -58.940
tors. eta vs tors. theta energy: -101.466
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: 3, replica: 2
=====================================
Write number: 70
Temperature: 1.000000
Total energy: -1170.661900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1170.661900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1170.661900 (E_RNA)
where:
Base-Base interactions energy: -807.029
where: short stacking energy: -328.827
Base-Backbone interact. energy: 0.217
local terms energy: -363.850142
where:
bonds (distance) C4'-P energy: -78.592
bonds (distance) P-C4' energy: -70.503
flat angles C4'-P-C4' energy: -69.486
flat angles P-C4'-P energy: -56.818
tors. eta vs tors. theta energy: -88.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 70
Temperature: 1.050000
Total energy: -1090.513835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1090.513835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1090.513835 (E_RNA)
where:
Base-Base interactions energy: -756.733
where: short stacking energy: -326.195
Base-Backbone interact. energy: -0.695
local terms energy: -333.085654
where:
bonds (distance) C4'-P energy: -64.557
bonds (distance) P-C4' energy: -75.941
flat angles C4'-P-C4' energy: -69.315
flat angles P-C4'-P energy: -40.481
tors. eta vs tors. theta energy: -82.792
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: 1
=====================================
Write number: 70
Temperature: 1.100000
Total energy: -1054.691147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1054.691147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1054.691147 (E_RNA)
where:
Base-Base interactions energy: -707.459
where: short stacking energy: -308.987
Base-Backbone interact. energy: 2.346
local terms energy: -349.578425
where:
bonds (distance) C4'-P energy: -69.066
bonds (distance) P-C4' energy: -70.523
flat angles C4'-P-C4' energy: -79.008
flat angles P-C4'-P energy: -53.888
tors. eta vs tors. theta energy: -77.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 70
Temperature: 1.150000
Total energy: -989.126373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -989.126373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -989.126373 (E_RNA)
where:
Base-Base interactions energy: -666.848
where: short stacking energy: -279.508
Base-Backbone interact. energy: -0.429
local terms energy: -321.849555
where:
bonds (distance) C4'-P energy: -67.748
bonds (distance) P-C4' energy: -71.968
flat angles C4'-P-C4' energy: -66.288
flat angles P-C4'-P energy: -44.560
tors. eta vs tors. theta energy: -71.285
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: 10
=====================================
Write number: 70
Temperature: 1.200000
Total energy: -870.398563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -870.398563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -870.398563 (E_RNA)
where:
Base-Base interactions energy: -556.960
where: short stacking energy: -267.552
Base-Backbone interact. energy: -1.788
local terms energy: -311.650587
where:
bonds (distance) C4'-P energy: -62.587
bonds (distance) P-C4' energy: -60.503
flat angles C4'-P-C4' energy: -72.660
flat angles P-C4'-P energy: -49.621
tors. eta vs tors. theta energy: -66.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 70
Temperature: 1.250000
Total energy: -700.583672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -700.583672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -700.583672 (E_RNA)
where:
Base-Base interactions energy: -444.640
where: short stacking energy: -209.933
Base-Backbone interact. energy: -0.659
local terms energy: -255.284497
where:
bonds (distance) C4'-P energy: -62.395
bonds (distance) P-C4' energy: -58.061
flat angles C4'-P-C4' energy: -70.219
flat angles P-C4'-P energy: -35.366
tors. eta vs tors. theta energy: -29.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 70
Temperature: 1.300000
Total energy: -463.796358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.796358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.796358 (E_RNA)
where:
Base-Base interactions energy: -230.331
where: short stacking energy: -140.514
Base-Backbone interact. energy: 3.895
local terms energy: -237.360231
where:
bonds (distance) C4'-P energy: -65.314
bonds (distance) P-C4' energy: -58.022
flat angles C4'-P-C4' energy: -42.031
flat angles P-C4'-P energy: -41.669
tors. eta vs tors. theta energy: -30.324
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: 4
=====================================
Write number: 70
Temperature: 1.350000
Total energy: -331.933100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.933100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.933100 (E_RNA)
where:
Base-Base interactions energy: -130.303
where: short stacking energy: -116.294
Base-Backbone interact. energy: -1.377
local terms energy: -200.253170
where:
bonds (distance) C4'-P energy: -60.971
bonds (distance) P-C4' energy: -55.684
flat angles C4'-P-C4' energy: -44.150
flat angles P-C4'-P energy: -39.311
tors. eta vs tors. theta energy: -0.137
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: 8
=====================================
Write number: 71
Temperature: 0.900000
Total energy: -1243.146961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1243.146961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1243.146961 (E_RNA)
where:
Base-Base interactions energy: -843.846
where: short stacking energy: -365.471
Base-Backbone interact. energy: -2.183
local terms energy: -397.117958
where:
bonds (distance) C4'-P energy: -77.749
bonds (distance) P-C4' energy: -76.111
flat angles C4'-P-C4' energy: -83.071
flat angles P-C4'-P energy: -50.150
tors. eta vs tors. theta energy: -110.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 71
Temperature: 0.950000
Total energy: -1219.521877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1219.521877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1219.521877 (E_RNA)
where:
Base-Base interactions energy: -832.211
where: short stacking energy: -377.017
Base-Backbone interact. energy: -3.009
local terms energy: -384.301337
where:
bonds (distance) C4'-P energy: -65.165
bonds (distance) P-C4' energy: -84.050
flat angles C4'-P-C4' energy: -79.428
flat angles P-C4'-P energy: -54.429
tors. eta vs tors. theta energy: -101.229
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: 2
=====================================
Write number: 71
Temperature: 1.000000
Total energy: -1162.740378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1162.740378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1162.740378 (E_RNA)
where:
Base-Base interactions energy: -780.899
where: short stacking energy: -314.445
Base-Backbone interact. energy: -6.092
local terms energy: -375.749406
where:
bonds (distance) C4'-P energy: -79.081
bonds (distance) P-C4' energy: -79.905
flat angles C4'-P-C4' energy: -81.354
flat angles P-C4'-P energy: -59.456
tors. eta vs tors. theta energy: -75.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 71
Temperature: 1.050000
Total energy: -1115.028957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1115.028957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1115.028957 (E_RNA)
where:
Base-Base interactions energy: -764.612
where: short stacking energy: -328.505
Base-Backbone interact. energy: -1.559
local terms energy: -348.857551
where:
bonds (distance) C4'-P energy: -71.594
bonds (distance) P-C4' energy: -68.895
flat angles C4'-P-C4' energy: -77.553
flat angles P-C4'-P energy: -45.461
tors. eta vs tors. theta energy: -85.354
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: 1
=====================================
Write number: 71
Temperature: 1.100000
Total energy: -1067.736827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1067.736827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1067.736827 (E_RNA)
where:
Base-Base interactions energy: -719.337
where: short stacking energy: -329.754
Base-Backbone interact. energy: -2.130
local terms energy: -346.269695
where:
bonds (distance) C4'-P energy: -69.144
bonds (distance) P-C4' energy: -71.613
flat angles C4'-P-C4' energy: -68.904
flat angles P-C4'-P energy: -48.453
tors. eta vs tors. theta energy: -88.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 71
Temperature: 1.150000
Total energy: -991.638079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -991.638079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -991.638079 (E_RNA)
where:
Base-Base interactions energy: -656.371
where: short stacking energy: -287.867
Base-Backbone interact. energy: -0.078
local terms energy: -335.189086
where:
bonds (distance) C4'-P energy: -65.955
bonds (distance) P-C4' energy: -73.667
flat angles C4'-P-C4' energy: -76.586
flat angles P-C4'-P energy: -45.657
tors. eta vs tors. theta energy: -73.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 71
Temperature: 1.200000
Total energy: -851.785722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -851.785722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -851.785722 (E_RNA)
where:
Base-Base interactions energy: -577.709
where: short stacking energy: -249.760
Base-Backbone interact. energy: -1.992
local terms energy: -272.085162
where:
bonds (distance) C4'-P energy: -48.345
bonds (distance) P-C4' energy: -64.259
flat angles C4'-P-C4' energy: -65.620
flat angles P-C4'-P energy: -39.241
tors. eta vs tors. theta energy: -54.621
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: 7
=====================================
Write number: 71
Temperature: 1.250000
Total energy: -691.274784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -691.274784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -691.274784 (E_RNA)
where:
Base-Base interactions energy: -405.065
where: short stacking energy: -178.317
Base-Backbone interact. energy: -3.360
local terms energy: -282.849563
where:
bonds (distance) C4'-P energy: -72.001
bonds (distance) P-C4' energy: -76.217
flat angles C4'-P-C4' energy: -62.499
flat angles P-C4'-P energy: -36.518
tors. eta vs tors. theta energy: -35.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 71
Temperature: 1.300000
Total energy: -414.283459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.283459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.283459 (E_RNA)
where:
Base-Base interactions energy: -185.170
where: short stacking energy: -108.240
Base-Backbone interact. energy: 0.334
local terms energy: -229.447711
where:
bonds (distance) C4'-P energy: -62.088
bonds (distance) P-C4' energy: -71.236
flat angles C4'-P-C4' energy: -61.807
flat angles P-C4'-P energy: -29.403
tors. eta vs tors. theta energy: -4.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 71
Temperature: 1.350000
Total energy: -336.845521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.845521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.845521 (E_RNA)
where:
Base-Base interactions energy: -148.468
where: short stacking energy: -101.348
Base-Backbone interact. energy: -1.940
local terms energy: -186.437351
where:
bonds (distance) C4'-P energy: -45.535
bonds (distance) P-C4' energy: -61.471
flat angles C4'-P-C4' energy: -65.815
flat angles P-C4'-P energy: -21.807
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: 3
=====================================
Write number: 72
Temperature: 0.900000
Total energy: -1245.784183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1245.784183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1245.784183 (E_RNA)
where:
Base-Base interactions energy: -835.155
where: short stacking energy: -389.774
Base-Backbone interact. energy: -2.133
local terms energy: -408.495774
where:
bonds (distance) C4'-P energy: -81.762
bonds (distance) P-C4' energy: -84.697
flat angles C4'-P-C4' energy: -83.103
flat angles P-C4'-P energy: -56.886
tors. eta vs tors. theta energy: -102.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 72
Temperature: 0.950000
Total energy: -1217.747987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1217.747987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1217.747987 (E_RNA)
where:
Base-Base interactions energy: -809.273
where: short stacking energy: -358.033
Base-Backbone interact. energy: -1.606
local terms energy: -406.868720
where:
bonds (distance) C4'-P energy: -84.480
bonds (distance) P-C4' energy: -75.853
flat angles C4'-P-C4' energy: -87.866
flat angles P-C4'-P energy: -54.626
tors. eta vs tors. theta energy: -104.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 72
Temperature: 1.000000
Total energy: -1144.085215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1144.085215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1144.085215 (E_RNA)
where:
Base-Base interactions energy: -777.189
where: short stacking energy: -323.097
Base-Backbone interact. energy: -3.029
local terms energy: -364.575251
where:
bonds (distance) C4'-P energy: -62.707
bonds (distance) P-C4' energy: -79.569
flat angles C4'-P-C4' energy: -88.391
flat angles P-C4'-P energy: -50.229
tors. eta vs tors. theta energy: -83.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.708 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 72
Temperature: 1.050000
Total energy: -1149.317297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1149.317297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1149.317297 (E_RNA)
where:
Base-Base interactions energy: -796.793
where: short stacking energy: -321.112
Base-Backbone interact. energy: -2.858
local terms energy: -349.667046
where:
bonds (distance) C4'-P energy: -63.279
bonds (distance) P-C4' energy: -75.322
flat angles C4'-P-C4' energy: -80.457
flat angles P-C4'-P energy: -51.568
tors. eta vs tors. theta energy: -79.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 72
Temperature: 1.100000
Total energy: -1036.948792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1036.948792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1036.948792 (E_RNA)
where:
Base-Base interactions energy: -681.214
where: short stacking energy: -279.013
Base-Backbone interact. energy: -2.658
local terms energy: -353.077139
where:
bonds (distance) C4'-P energy: -70.863
bonds (distance) P-C4' energy: -79.999
flat angles C4'-P-C4' energy: -72.401
flat angles P-C4'-P energy: -58.869
tors. eta vs tors. theta energy: -70.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 72
Temperature: 1.150000
Total energy: -991.273550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -991.273550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -991.273550 (E_RNA)
where:
Base-Base interactions energy: -683.105
where: short stacking energy: -296.472
Base-Backbone interact. energy: -1.547
local terms energy: -306.620747
where:
bonds (distance) C4'-P energy: -59.769
bonds (distance) P-C4' energy: -70.298
flat angles C4'-P-C4' energy: -61.588
flat angles P-C4'-P energy: -38.113
tors. eta vs tors. theta energy: -76.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 72
Temperature: 1.200000
Total energy: -867.236007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -867.236007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -867.236007 (E_RNA)
where:
Base-Base interactions energy: -563.186
where: short stacking energy: -248.199
Base-Backbone interact. energy: -1.760
local terms energy: -302.289762
where:
bonds (distance) C4'-P energy: -73.876
bonds (distance) P-C4' energy: -64.840
flat angles C4'-P-C4' energy: -72.516
flat angles P-C4'-P energy: -43.796
tors. eta vs tors. theta energy: -47.261
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: 8, replica: 7
=====================================
Write number: 72
Temperature: 1.250000
Total energy: -668.133169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -668.133169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -668.133169 (E_RNA)
where:
Base-Base interactions energy: -409.600
where: short stacking energy: -183.389
Base-Backbone interact. energy: -0.098
local terms energy: -258.435587
where:
bonds (distance) C4'-P energy: -55.955
bonds (distance) P-C4' energy: -66.643
flat angles C4'-P-C4' energy: -68.414
flat angles P-C4'-P energy: -42.523
tors. eta vs tors. theta energy: -24.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 72
Temperature: 1.300000
Total energy: -427.023119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.023119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.023119 (E_RNA)
where:
Base-Base interactions energy: -219.375
where: short stacking energy: -140.760
Base-Backbone interact. energy: 1.811
local terms energy: -209.458155
where:
bonds (distance) C4'-P energy: -54.613
bonds (distance) P-C4' energy: -63.192
flat angles C4'-P-C4' energy: -46.703
flat angles P-C4'-P energy: -38.033
tors. eta vs tors. theta energy: -6.917
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: 10, replica: 4
=====================================
Write number: 72
Temperature: 1.350000
Total energy: -313.000708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.000708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.000708 (E_RNA)
where:
Base-Base interactions energy: -118.537
where: short stacking energy: -82.633
Base-Backbone interact. energy: -2.497
local terms energy: -191.966740
where:
bonds (distance) C4'-P energy: -67.900
bonds (distance) P-C4' energy: -52.024
flat angles C4'-P-C4' energy: -58.027
flat angles P-C4'-P energy: -35.048
tors. eta vs tors. theta energy: 21.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 73
Temperature: 0.900000
Total energy: -1249.337182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1249.337182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1249.337182 (E_RNA)
where:
Base-Base interactions energy: -846.646
where: short stacking energy: -382.554
Base-Backbone interact. energy: -2.242
local terms energy: -400.772385
where:
bonds (distance) C4'-P energy: -73.840
bonds (distance) P-C4' energy: -83.412
flat angles C4'-P-C4' energy: -82.495
flat angles P-C4'-P energy: -52.563
tors. eta vs tors. theta energy: -108.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.323 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 73
Temperature: 0.950000
Total energy: -1213.046938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1213.046938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1213.046938 (E_RNA)
where:
Base-Base interactions energy: -810.222
where: short stacking energy: -371.131
Base-Backbone interact. energy: -1.240
local terms energy: -402.359185
where:
bonds (distance) C4'-P energy: -76.184
bonds (distance) P-C4' energy: -74.551
flat angles C4'-P-C4' energy: -86.894
flat angles P-C4'-P energy: -49.905
tors. eta vs tors. theta energy: -114.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.774 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 73
Temperature: 1.000000
Total energy: -1160.092192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1160.092192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1160.092192 (E_RNA)
where:
Base-Base interactions energy: -790.415
where: short stacking energy: -329.812
Base-Backbone interact. energy: 7.119
local terms energy: -376.796030
where:
bonds (distance) C4'-P energy: -76.627
bonds (distance) P-C4' energy: -74.332
flat angles C4'-P-C4' energy: -81.178
flat angles P-C4'-P energy: -63.609
tors. eta vs tors. theta energy: -81.051
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: 4, replica: 2
=====================================
Write number: 73
Temperature: 1.050000
Total energy: -1138.708987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1138.708987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1138.708987 (E_RNA)
where:
Base-Base interactions energy: -767.348
where: short stacking energy: -327.822
Base-Backbone interact. energy: 1.580
local terms energy: -372.940727
where:
bonds (distance) C4'-P energy: -67.459
bonds (distance) P-C4' energy: -73.433
flat angles C4'-P-C4' energy: -81.923
flat angles P-C4'-P energy: -54.899
tors. eta vs tors. theta energy: -95.226
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: 1
=====================================
Write number: 73
Temperature: 1.100000
Total energy: -1050.494556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1050.494556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1050.494556 (E_RNA)
where:
Base-Base interactions energy: -703.990
where: short stacking energy: -301.118
Base-Backbone interact. energy: 3.467
local terms energy: -349.971433
where:
bonds (distance) C4'-P energy: -78.578
bonds (distance) P-C4' energy: -60.866
flat angles C4'-P-C4' energy: -85.377
flat angles P-C4'-P energy: -46.329
tors. eta vs tors. theta energy: -78.822
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: 6, replica: 5
=====================================
Write number: 73
Temperature: 1.150000
Total energy: -901.627760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -901.627760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -901.627760 (E_RNA)
where:
Base-Base interactions energy: -594.621
where: short stacking energy: -258.163
Base-Backbone interact. energy: -0.726
local terms energy: -306.280524
where:
bonds (distance) C4'-P energy: -73.950
bonds (distance) P-C4' energy: -60.589
flat angles C4'-P-C4' energy: -72.851
flat angles P-C4'-P energy: -39.814
tors. eta vs tors. theta energy: -59.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 73
Temperature: 1.200000
Total energy: -829.006499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -829.006499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -829.006499 (E_RNA)
where:
Base-Base interactions energy: -517.107
where: short stacking energy: -261.637
Base-Backbone interact. energy: -1.068
local terms energy: -311.099363
where:
bonds (distance) C4'-P energy: -67.610
bonds (distance) P-C4' energy: -57.756
flat angles C4'-P-C4' energy: -70.238
flat angles P-C4'-P energy: -57.660
tors. eta vs tors. theta energy: -57.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.268 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 73
Temperature: 1.250000
Total energy: -702.555422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -702.555422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -702.555422 (E_RNA)
where:
Base-Base interactions energy: -429.679
where: short stacking energy: -219.439
Base-Backbone interact. energy: -0.945
local terms energy: -271.931329
where:
bonds (distance) C4'-P energy: -63.533
bonds (distance) P-C4' energy: -67.426
flat angles C4'-P-C4' energy: -62.492
flat angles P-C4'-P energy: -27.048
tors. eta vs tors. theta energy: -51.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 73
Temperature: 1.300000
Total energy: -428.296009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.296009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.296009 (E_RNA)
where:
Base-Base interactions energy: -216.100
where: short stacking energy: -133.096
Base-Backbone interact. energy: -1.471
local terms energy: -210.724806
where:
bonds (distance) C4'-P energy: -59.792
bonds (distance) P-C4' energy: -63.804
flat angles C4'-P-C4' energy: -48.167
flat angles P-C4'-P energy: -28.907
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: 10, replica: 4
=====================================
Write number: 73
Temperature: 1.350000
Total energy: -315.920059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.920059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.920059 (E_RNA)
where:
Base-Base interactions energy: -128.200
where: short stacking energy: -100.199
Base-Backbone interact. energy: -0.042
local terms energy: -187.678151
where:
bonds (distance) C4'-P energy: -58.164
bonds (distance) P-C4' energy: -68.481
flat angles C4'-P-C4' energy: -41.437
flat angles P-C4'-P energy: -22.124
tors. eta vs tors. theta energy: 2.529
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: 3
=====================================
Write number: 74
Temperature: 0.900000
Total energy: -1271.619420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1271.619420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1271.619420 (E_RNA)
where:
Base-Base interactions energy: -870.801
where: short stacking energy: -398.028
Base-Backbone interact. energy: -2.746
local terms energy: -398.072469
where:
bonds (distance) C4'-P energy: -67.632
bonds (distance) P-C4' energy: -78.183
flat angles C4'-P-C4' energy: -78.789
flat angles P-C4'-P energy: -62.236
tors. eta vs tors. theta energy: -111.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 74
Temperature: 0.950000
Total energy: -1233.946739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1233.946739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1233.946739 (E_RNA)
where:
Base-Base interactions energy: -858.266
where: short stacking energy: -375.623
Base-Backbone interact. energy: 3.666
local terms energy: -379.345943
where:
bonds (distance) C4'-P energy: -63.918
bonds (distance) P-C4' energy: -75.265
flat angles C4'-P-C4' energy: -88.499
flat angles P-C4'-P energy: -44.558
tors. eta vs tors. theta energy: -107.106
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: 2
=====================================
Write number: 74
Temperature: 1.000000
Total energy: -1168.008294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1168.008294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1168.008294 (E_RNA)
where:
Base-Base interactions energy: -792.965
where: short stacking energy: -339.193
Base-Backbone interact. energy: -4.158
local terms energy: -370.884735
where:
bonds (distance) C4'-P energy: -73.859
bonds (distance) P-C4' energy: -78.378
flat angles C4'-P-C4' energy: -76.047
flat angles P-C4'-P energy: -54.171
tors. eta vs tors. theta energy: -88.429
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: 6
=====================================
Write number: 74
Temperature: 1.050000
Total energy: -1125.763867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1125.763867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1125.763867 (E_RNA)
where:
Base-Base interactions energy: -762.073
where: short stacking energy: -304.639
Base-Backbone interact. energy: 1.877
local terms energy: -365.567257
where:
bonds (distance) C4'-P energy: -77.750
bonds (distance) P-C4' energy: -80.644
flat angles C4'-P-C4' energy: -76.246
flat angles P-C4'-P energy: -55.091
tors. eta vs tors. theta energy: -75.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 74
Temperature: 1.100000
Total energy: -1065.362504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1065.362504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1065.362504 (E_RNA)
where:
Base-Base interactions energy: -724.163
where: short stacking energy: -329.275
Base-Backbone interact. energy: -0.331
local terms energy: -340.868566
where:
bonds (distance) C4'-P energy: -70.215
bonds (distance) P-C4' energy: -75.064
flat angles C4'-P-C4' energy: -67.970
flat angles P-C4'-P energy: -43.330
tors. eta vs tors. theta energy: -84.290
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: 5
=====================================
Write number: 74
Temperature: 1.150000
Total energy: -869.174945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -869.174945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -869.174945 (E_RNA)
where:
Base-Base interactions energy: -557.645
where: short stacking energy: -254.662
Base-Backbone interact. energy: 0.446
local terms energy: -311.976049
where:
bonds (distance) C4'-P energy: -52.012
bonds (distance) P-C4' energy: -78.476
flat angles C4'-P-C4' energy: -65.771
flat angles P-C4'-P energy: -57.191
tors. eta vs tors. theta energy: -58.525
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: 74
Temperature: 1.200000
Total energy: -858.294309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -858.294309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -858.294309 (E_RNA)
where:
Base-Base interactions energy: -557.828
where: short stacking energy: -263.502
Base-Backbone interact. energy: -2.020
local terms energy: -298.446614
where:
bonds (distance) C4'-P energy: -62.649
bonds (distance) P-C4' energy: -51.265
flat angles C4'-P-C4' energy: -82.240
flat angles P-C4'-P energy: -45.706
tors. eta vs tors. theta energy: -56.586
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: 7
=====================================
Write number: 74
Temperature: 1.250000
Total energy: -693.130742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -693.130742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -693.130742 (E_RNA)
where:
Base-Base interactions energy: -434.883
where: short stacking energy: -221.888
Base-Backbone interact. energy: -1.361
local terms energy: -256.886964
where:
bonds (distance) C4'-P energy: -56.488
bonds (distance) P-C4' energy: -83.490
flat angles C4'-P-C4' energy: -51.706
flat angles P-C4'-P energy: -34.347
tors. eta vs tors. theta energy: -30.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 74
Temperature: 1.300000
Total energy: -443.256833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.256833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.256833 (E_RNA)
where:
Base-Base interactions energy: -230.797
where: short stacking energy: -161.834
Base-Backbone interact. energy: -0.609
local terms energy: -212.095653
where:
bonds (distance) C4'-P energy: -64.439
bonds (distance) P-C4' energy: -58.419
flat angles C4'-P-C4' energy: -44.683
flat angles P-C4'-P energy: -31.331
tors. eta vs tors. theta energy: -13.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.245 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 74
Temperature: 1.350000
Total energy: -314.870418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.870418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.870418 (E_RNA)
where:
Base-Base interactions energy: -114.197
where: short stacking energy: -85.823
Base-Backbone interact. energy: 1.433
local terms energy: -202.107052
where:
bonds (distance) C4'-P energy: -74.286
bonds (distance) P-C4' energy: -76.293
flat angles C4'-P-C4' energy: -49.228
flat angles P-C4'-P energy: -28.778
tors. eta vs tors. theta energy: 26.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 75
Temperature: 0.900000
Total energy: -1257.934808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1257.934808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1257.934808 (E_RNA)
where:
Base-Base interactions energy: -854.054
where: short stacking energy: -386.418
Base-Backbone interact. energy: -1.883
local terms energy: -401.997253
where:
bonds (distance) C4'-P energy: -76.885
bonds (distance) P-C4' energy: -75.244
flat angles C4'-P-C4' energy: -84.465
flat angles P-C4'-P energy: -51.775
tors. eta vs tors. theta energy: -113.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 75
Temperature: 0.950000
Total energy: -1216.758505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1216.758505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1216.758505 (E_RNA)
where:
Base-Base interactions energy: -815.699
where: short stacking energy: -331.525
Base-Backbone interact. energy: -1.085
local terms energy: -399.974856
where:
bonds (distance) C4'-P energy: -72.499
bonds (distance) P-C4' energy: -78.708
flat angles C4'-P-C4' energy: -91.630
flat angles P-C4'-P energy: -65.432
tors. eta vs tors. theta energy: -91.705
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: 3, replica: 2
=====================================
Write number: 75
Temperature: 1.000000
Total energy: -1170.243817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1170.243817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1170.243817 (E_RNA)
where:
Base-Base interactions energy: -819.553
where: short stacking energy: -342.930
Base-Backbone interact. energy: -4.916
local terms energy: -345.774882
where:
bonds (distance) C4'-P energy: -63.666
bonds (distance) P-C4' energy: -67.430
flat angles C4'-P-C4' energy: -72.162
flat angles P-C4'-P energy: -57.705
tors. eta vs tors. theta energy: -84.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 75
Temperature: 1.050000
Total energy: -1139.781503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1139.781503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1139.781503 (E_RNA)
where:
Base-Base interactions energy: -784.585
where: short stacking energy: -319.019
Base-Backbone interact. energy: -1.048
local terms energy: -354.148409
where:
bonds (distance) C4'-P energy: -64.132
bonds (distance) P-C4' energy: -83.095
flat angles C4'-P-C4' energy: -76.465
flat angles P-C4'-P energy: -50.950
tors. eta vs tors. theta energy: -79.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 75
Temperature: 1.100000
Total energy: -1061.873235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1061.873235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1061.873235 (E_RNA)
where:
Base-Base interactions energy: -703.399
where: short stacking energy: -315.622
Base-Backbone interact. energy: 2.699
local terms energy: -361.173332
where:
bonds (distance) C4'-P energy: -64.695
bonds (distance) P-C4' energy: -76.467
flat angles C4'-P-C4' energy: -82.006
flat angles P-C4'-P energy: -50.617
tors. eta vs tors. theta energy: -87.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 75
Temperature: 1.150000
Total energy: -875.110241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -875.110241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -875.110241 (E_RNA)
where:
Base-Base interactions energy: -581.685
where: short stacking energy: -260.299
Base-Backbone interact. energy: -2.323
local terms energy: -291.102339
where:
bonds (distance) C4'-P energy: -54.162
bonds (distance) P-C4' energy: -73.057
flat angles C4'-P-C4' energy: -67.605
flat angles P-C4'-P energy: -36.060
tors. eta vs tors. theta energy: -60.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 75
Temperature: 1.200000
Total energy: -811.344636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -811.344636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -811.344636 (E_RNA)
where:
Base-Base interactions energy: -526.072
where: short stacking energy: -236.652
Base-Backbone interact. energy: 0.323
local terms energy: -285.595232
where:
bonds (distance) C4'-P energy: -50.657
bonds (distance) P-C4' energy: -67.520
flat angles C4'-P-C4' energy: -73.000
flat angles P-C4'-P energy: -45.220
tors. eta vs tors. theta energy: -49.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 75
Temperature: 1.250000
Total energy: -666.493282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -666.493282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -666.493282 (E_RNA)
where:
Base-Base interactions energy: -428.800
where: short stacking energy: -190.441
Base-Backbone interact. energy: -0.869
local terms energy: -236.824418
where:
bonds (distance) C4'-P energy: -73.537
bonds (distance) P-C4' energy: -51.344
flat angles C4'-P-C4' energy: -52.935
flat angles P-C4'-P energy: -34.298
tors. eta vs tors. theta energy: -24.710
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: 9
=====================================
Write number: 75
Temperature: 1.300000
Total energy: -471.794841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.794841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.794841 (E_RNA)
where:
Base-Base interactions energy: -231.987
where: short stacking energy: -125.393
Base-Backbone interact. energy: -0.665
local terms energy: -239.142893
where:
bonds (distance) C4'-P energy: -72.640
bonds (distance) P-C4' energy: -64.044
flat angles C4'-P-C4' energy: -51.427
flat angles P-C4'-P energy: -35.551
tors. eta vs tors. theta energy: -15.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 75
Temperature: 1.350000
Total energy: -303.935675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.935675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.935675 (E_RNA)
where:
Base-Base interactions energy: -127.399
where: short stacking energy: -106.961
Base-Backbone interact. energy: 1.036
local terms energy: -177.572390
where:
bonds (distance) C4'-P energy: -49.252
bonds (distance) P-C4' energy: -57.029
flat angles C4'-P-C4' energy: -45.739
flat angles P-C4'-P energy: -30.491
tors. eta vs tors. theta energy: 4.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 76
Temperature: 0.900000
Total energy: -1250.011536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1250.011536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1250.011536 (E_RNA)
where:
Base-Base interactions energy: -836.342
where: short stacking energy: -371.177
Base-Backbone interact. energy: -1.786
local terms energy: -411.883115
where:
bonds (distance) C4'-P energy: -83.375
bonds (distance) P-C4' energy: -70.903
flat angles C4'-P-C4' energy: -88.333
flat angles P-C4'-P energy: -65.341
tors. eta vs tors. theta energy: -103.930
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: 2, replica: 3
=====================================
Write number: 76
Temperature: 0.950000
Total energy: -1233.484693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1233.484693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1233.484693 (E_RNA)
where:
Base-Base interactions energy: -839.677
where: short stacking energy: -360.773
Base-Backbone interact. energy: -0.841
local terms energy: -392.967322
where:
bonds (distance) C4'-P energy: -70.031
bonds (distance) P-C4' energy: -77.904
flat angles C4'-P-C4' energy: -82.601
flat angles P-C4'-P energy: -52.396
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: 2
=====================================
Write number: 76
Temperature: 1.000000
Total energy: -1176.121024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1176.121024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1176.121024 (E_RNA)
where:
Base-Base interactions energy: -793.142
where: short stacking energy: -332.697
Base-Backbone interact. energy: -3.142
local terms energy: -379.837041
where:
bonds (distance) C4'-P energy: -74.424
bonds (distance) P-C4' energy: -76.460
flat angles C4'-P-C4' energy: -85.808
flat angles P-C4'-P energy: -52.631
tors. eta vs tors. theta energy: -90.514
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: 6
=====================================
Write number: 76
Temperature: 1.050000
Total energy: -1122.779061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1122.779061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1122.779061 (E_RNA)
where:
Base-Base interactions energy: -761.607
where: short stacking energy: -312.385
Base-Backbone interact. energy: 3.046
local terms energy: -364.218275
where:
bonds (distance) C4'-P energy: -70.814
bonds (distance) P-C4' energy: -77.452
flat angles C4'-P-C4' energy: -79.656
flat angles P-C4'-P energy: -55.885
tors. eta vs tors. theta energy: -80.410
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: 1
=====================================
Write number: 76
Temperature: 1.100000
Total energy: -1095.498988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1095.498988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1095.498988 (E_RNA)
where:
Base-Base interactions energy: -740.015
where: short stacking energy: -320.406
Base-Backbone interact. energy: -1.454
local terms energy: -354.030273
where:
bonds (distance) C4'-P energy: -71.212
bonds (distance) P-C4' energy: -70.221
flat angles C4'-P-C4' energy: -81.790
flat angles P-C4'-P energy: -50.452
tors. eta vs tors. theta energy: -80.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 76
Temperature: 1.150000
Total energy: -881.084633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -881.084633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -881.084633 (E_RNA)
where:
Base-Base interactions energy: -548.017
where: short stacking energy: -255.226
Base-Backbone interact. energy: 0.091
local terms energy: -333.158056
where:
bonds (distance) C4'-P energy: -68.413
bonds (distance) P-C4' energy: -78.050
flat angles C4'-P-C4' energy: -76.575
flat angles P-C4'-P energy: -42.310
tors. eta vs tors. theta energy: -67.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 76
Temperature: 1.200000
Total energy: -802.997331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -802.997331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -802.997331 (E_RNA)
where:
Base-Base interactions energy: -529.158
where: short stacking energy: -223.536
Base-Backbone interact. energy: -1.487
local terms energy: -272.352535
where:
bonds (distance) C4'-P energy: -58.762
bonds (distance) P-C4' energy: -62.411
flat angles C4'-P-C4' energy: -64.658
flat angles P-C4'-P energy: -44.383
tors. eta vs tors. theta energy: -42.140
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: 7
=====================================
Write number: 76
Temperature: 1.250000
Total energy: -692.734731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -692.734731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -692.734731 (E_RNA)
where:
Base-Base interactions energy: -421.828
where: short stacking energy: -191.694
Base-Backbone interact. energy: 1.246
local terms energy: -272.152916
where:
bonds (distance) C4'-P energy: -74.988
bonds (distance) P-C4' energy: -70.194
flat angles C4'-P-C4' energy: -68.262
flat angles P-C4'-P energy: -26.916
tors. eta vs tors. theta energy: -31.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 76
Temperature: 1.300000
Total energy: -500.485478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.485478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.485478 (E_RNA)
where:
Base-Base interactions energy: -258.945
where: short stacking energy: -139.017
Base-Backbone interact. energy: 0.738
local terms energy: -242.278830
where:
bonds (distance) C4'-P energy: -61.159
bonds (distance) P-C4' energy: -70.359
flat angles C4'-P-C4' energy: -69.857
flat angles P-C4'-P energy: -42.393
tors. eta vs tors. theta energy: 1.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 76
Temperature: 1.350000
Total energy: -302.770849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.770849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.770849 (E_RNA)
where:
Base-Base interactions energy: -101.137
where: short stacking energy: -91.193
Base-Backbone interact. energy: -1.884
local terms energy: -199.750572
where:
bonds (distance) C4'-P energy: -66.137
bonds (distance) P-C4' energy: -58.967
flat angles C4'-P-C4' energy: -50.722
flat angles P-C4'-P energy: -29.582
tors. eta vs tors. theta energy: 5.657
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: 8
=====================================
Write number: 77
Temperature: 0.900000
Total energy: -1270.449473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1270.449473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1270.449473 (E_RNA)
where:
Base-Base interactions energy: -865.904
where: short stacking energy: -387.793
Base-Backbone interact. energy: -2.046
local terms energy: -402.499692
where:
bonds (distance) C4'-P energy: -75.980
bonds (distance) P-C4' energy: -73.467
flat angles C4'-P-C4' energy: -85.356
flat angles P-C4'-P energy: -58.051
tors. eta vs tors. theta energy: -109.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 77
Temperature: 0.950000
Total energy: -1234.014837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1234.014837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1234.014837 (E_RNA)
where:
Base-Base interactions energy: -848.592
where: short stacking energy: -394.744
Base-Backbone interact. energy: 1.797
local terms energy: -387.219439
where:
bonds (distance) C4'-P energy: -71.941
bonds (distance) P-C4' energy: -68.878
flat angles C4'-P-C4' energy: -77.479
flat angles P-C4'-P energy: -54.925
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: 3, replica: 2
=====================================
Write number: 77
Temperature: 1.000000
Total energy: -1183.747827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1183.747827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1183.747827 (E_RNA)
where:
Base-Base interactions energy: -821.916
where: short stacking energy: -348.649
Base-Backbone interact. energy: -0.285
local terms energy: -361.547332
where:
bonds (distance) C4'-P energy: -55.956
bonds (distance) P-C4' energy: -74.439
flat angles C4'-P-C4' energy: -81.764
flat angles P-C4'-P energy: -56.422
tors. eta vs tors. theta energy: -92.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 77
Temperature: 1.050000
Total energy: -1141.397654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1141.397654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1141.397654 (E_RNA)
where:
Base-Base interactions energy: -800.237
where: short stacking energy: -327.040
Base-Backbone interact. energy: 3.948
local terms energy: -345.289736
where:
bonds (distance) C4'-P energy: -71.317
bonds (distance) P-C4' energy: -67.923
flat angles C4'-P-C4' energy: -84.058
flat angles P-C4'-P energy: -40.082
tors. eta vs tors. theta energy: -81.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.180 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 77
Temperature: 1.100000
Total energy: -1110.825698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1110.825698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1110.825698 (E_RNA)
where:
Base-Base interactions energy: -758.923
where: short stacking energy: -329.284
Base-Backbone interact. energy: -3.010
local terms energy: -348.892458
where:
bonds (distance) C4'-P energy: -59.330
bonds (distance) P-C4' energy: -78.790
flat angles C4'-P-C4' energy: -72.044
flat angles P-C4'-P energy: -46.043
tors. eta vs tors. theta energy: -92.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 77
Temperature: 1.150000
Total energy: -877.836084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -877.836084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -877.836084 (E_RNA)
where:
Base-Base interactions energy: -564.653
where: short stacking energy: -256.472
Base-Backbone interact. energy: -0.255
local terms energy: -312.928216
where:
bonds (distance) C4'-P energy: -75.585
bonds (distance) P-C4' energy: -70.349
flat angles C4'-P-C4' energy: -68.440
flat angles P-C4'-P energy: -44.760
tors. eta vs tors. theta energy: -53.794
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: 77
Temperature: 1.200000
Total energy: -819.873721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -819.873721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -819.873721 (E_RNA)
where:
Base-Base interactions energy: -540.965
where: short stacking energy: -229.822
Base-Backbone interact. energy: -0.621
local terms energy: -278.287217
where:
bonds (distance) C4'-P energy: -52.012
bonds (distance) P-C4' energy: -72.545
flat angles C4'-P-C4' energy: -62.760
flat angles P-C4'-P energy: -48.340
tors. eta vs tors. theta energy: -42.629
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: 7
=====================================
Write number: 77
Temperature: 1.250000
Total energy: -643.879761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -643.879761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -643.879761 (E_RNA)
where:
Base-Base interactions energy: -378.019
where: short stacking energy: -176.788
Base-Backbone interact. energy: -0.422
local terms energy: -265.438073
where:
bonds (distance) C4'-P energy: -56.956
bonds (distance) P-C4' energy: -80.956
flat angles C4'-P-C4' energy: -60.387
flat angles P-C4'-P energy: -45.371
tors. eta vs tors. theta energy: -21.768
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: 9, replica: 9
=====================================
Write number: 77
Temperature: 1.300000
Total energy: -508.159943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.159943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.159943 (E_RNA)
where:
Base-Base interactions energy: -261.090
where: short stacking energy: -148.597
Base-Backbone interact. energy: 0.116
local terms energy: -247.185908
where:
bonds (distance) C4'-P energy: -61.141
bonds (distance) P-C4' energy: -62.876
flat angles C4'-P-C4' energy: -69.882
flat angles P-C4'-P energy: -41.825
tors. eta vs tors. theta energy: -11.461
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: 4
=====================================
Write number: 77
Temperature: 1.350000
Total energy: -314.516263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.516263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.516263 (E_RNA)
where:
Base-Base interactions energy: -107.027
where: short stacking energy: -98.708
Base-Backbone interact. energy: -0.339
local terms energy: -207.150128
where:
bonds (distance) C4'-P energy: -60.285
bonds (distance) P-C4' energy: -74.236
flat angles C4'-P-C4' energy: -48.921
flat angles P-C4'-P energy: -27.292
tors. eta vs tors. theta energy: 3.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 78
Temperature: 0.900000
Total energy: -1272.648556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1272.648556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1272.648556 (E_RNA)
where:
Base-Base interactions energy: -877.997
where: short stacking energy: -396.823
Base-Backbone interact. energy: -2.644
local terms energy: -392.008178
where:
bonds (distance) C4'-P energy: -63.087
bonds (distance) P-C4' energy: -73.152
flat angles C4'-P-C4' energy: -83.480
flat angles P-C4'-P energy: -60.469
tors. eta vs tors. theta energy: -111.820
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: 8
=====================================
Write number: 78
Temperature: 0.950000
Total energy: -1223.348297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1223.348297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1223.348297 (E_RNA)
where:
Base-Base interactions energy: -817.496
where: short stacking energy: -342.817
Base-Backbone interact. energy: -1.283
local terms energy: -404.569674
where:
bonds (distance) C4'-P energy: -81.216
bonds (distance) P-C4' energy: -82.169
flat angles C4'-P-C4' energy: -80.033
flat angles P-C4'-P energy: -55.339
tors. eta vs tors. theta energy: -105.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 78
Temperature: 1.000000
Total energy: -1202.675844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1202.675844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1202.675844 (E_RNA)
where:
Base-Base interactions energy: -824.921
where: short stacking energy: -347.074
Base-Backbone interact. energy: -1.246
local terms energy: -376.508736
where:
bonds (distance) C4'-P energy: -72.771
bonds (distance) P-C4' energy: -73.777
flat angles C4'-P-C4' energy: -84.588
flat angles P-C4'-P energy: -53.471
tors. eta vs tors. theta energy: -91.901
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: 6
=====================================
Write number: 78
Temperature: 1.050000
Total energy: -1151.694467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1151.694467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1151.694467 (E_RNA)
where:
Base-Base interactions energy: -791.534
where: short stacking energy: -340.652
Base-Backbone interact. energy: 0.091
local terms energy: -360.251290
where:
bonds (distance) C4'-P energy: -64.335
bonds (distance) P-C4' energy: -85.217
flat angles C4'-P-C4' energy: -77.514
flat angles P-C4'-P energy: -43.170
tors. eta vs tors. theta energy: -90.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 78
Temperature: 1.100000
Total energy: -1162.130455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1162.130455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1162.130455 (E_RNA)
where:
Base-Base interactions energy: -801.958
where: short stacking energy: -337.430
Base-Backbone interact. energy: -1.908
local terms energy: -358.263812
where:
bonds (distance) C4'-P energy: -58.371
bonds (distance) P-C4' energy: -73.790
flat angles C4'-P-C4' energy: -82.643
flat angles P-C4'-P energy: -52.488
tors. eta vs tors. theta energy: -90.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 78
Temperature: 1.150000
Total energy: -867.458020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -867.458020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -867.458020 (E_RNA)
where:
Base-Base interactions energy: -580.670
where: short stacking energy: -278.295
Base-Backbone interact. energy: 1.255
local terms energy: -288.043465
where:
bonds (distance) C4'-P energy: -61.035
bonds (distance) P-C4' energy: -60.795
flat angles C4'-P-C4' energy: -62.664
flat angles P-C4'-P energy: -41.091
tors. eta vs tors. theta energy: -62.458
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: 5
=====================================
Write number: 78
Temperature: 1.200000
Total energy: -801.313060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -801.313060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -801.313060 (E_RNA)
where:
Base-Base interactions energy: -527.930
where: short stacking energy: -252.317
Base-Backbone interact. energy: 0.200
local terms energy: -273.583211
where:
bonds (distance) C4'-P energy: -66.978
bonds (distance) P-C4' energy: -70.607
flat angles C4'-P-C4' energy: -50.920
flat angles P-C4'-P energy: -46.855
tors. eta vs tors. theta energy: -38.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 78
Temperature: 1.250000
Total energy: -668.760336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -668.760336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -668.760336 (E_RNA)
where:
Base-Base interactions energy: -401.768
where: short stacking energy: -200.707
Base-Backbone interact. energy: -0.674
local terms energy: -266.318070
where:
bonds (distance) C4'-P energy: -53.487
bonds (distance) P-C4' energy: -54.225
flat angles C4'-P-C4' energy: -72.206
flat angles P-C4'-P energy: -49.836
tors. eta vs tors. theta energy: -36.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 78
Temperature: 1.300000
Total energy: -508.088270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.088270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.088270 (E_RNA)
where:
Base-Base interactions energy: -283.293
where: short stacking energy: -149.899
Base-Backbone interact. energy: 3.519
local terms energy: -228.314267
where:
bonds (distance) C4'-P energy: -57.607
bonds (distance) P-C4' energy: -71.126
flat angles C4'-P-C4' energy: -58.528
flat angles P-C4'-P energy: -28.035
tors. eta vs tors. theta energy: -13.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 78
Temperature: 1.350000
Total energy: -308.776496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.776496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.776496 (E_RNA)
where:
Base-Base interactions energy: -124.980
where: short stacking energy: -90.028
Base-Backbone interact. energy: 5.172
local terms energy: -188.968348
where:
bonds (distance) C4'-P energy: -49.627
bonds (distance) P-C4' energy: -67.963
flat angles C4'-P-C4' energy: -51.189
flat angles P-C4'-P energy: -32.913
tors. eta vs tors. theta energy: 12.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 79
Temperature: 0.900000
Total energy: -1246.538971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1246.538971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1246.538971 (E_RNA)
where:
Base-Base interactions energy: -841.844
where: short stacking energy: -378.576
Base-Backbone interact. energy: -1.407
local terms energy: -403.288484
where:
bonds (distance) C4'-P energy: -78.040
bonds (distance) P-C4' energy: -86.185
flat angles C4'-P-C4' energy: -77.887
flat angles P-C4'-P energy: -60.099
tors. eta vs tors. theta energy: -101.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 79
Temperature: 0.950000
Total energy: -1219.668892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1219.668892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1219.668892 (E_RNA)
where:
Base-Base interactions energy: -840.973
where: short stacking energy: -331.082
Base-Backbone interact. energy: -0.462
local terms energy: -378.233452
where:
bonds (distance) C4'-P energy: -75.566
bonds (distance) P-C4' energy: -71.300
flat angles C4'-P-C4' energy: -73.507
flat angles P-C4'-P energy: -62.113
tors. eta vs tors. theta energy: -95.747
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: 3, replica: 8
=====================================
Write number: 79
Temperature: 1.000000
Total energy: -1217.914237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1217.914237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1217.914237 (E_RNA)
where:
Base-Base interactions energy: -837.290
where: short stacking energy: -356.901
Base-Backbone interact. energy: -2.147
local terms energy: -378.477268
where:
bonds (distance) C4'-P energy: -67.619
bonds (distance) P-C4' energy: -78.908
flat angles C4'-P-C4' energy: -79.582
flat angles P-C4'-P energy: -50.847
tors. eta vs tors. theta energy: -101.522
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: 1
=====================================
Write number: 79
Temperature: 1.050000
Total energy: -1196.210809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1196.210809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1196.210809 (E_RNA)
where:
Base-Base interactions energy: -842.585
where: short stacking energy: -348.816
Base-Backbone interact. energy: -2.700
local terms energy: -350.926694
where:
bonds (distance) C4'-P energy: -64.876
bonds (distance) P-C4' energy: -67.253
flat angles C4'-P-C4' energy: -80.789
flat angles P-C4'-P energy: -46.962
tors. eta vs tors. theta energy: -91.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 79
Temperature: 1.100000
Total energy: -1121.118559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1121.118559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1121.118559 (E_RNA)
where:
Base-Base interactions energy: -775.887
where: short stacking energy: -296.413
Base-Backbone interact. energy: -3.006
local terms energy: -342.225474
where:
bonds (distance) C4'-P energy: -67.189
bonds (distance) P-C4' energy: -65.818
flat angles C4'-P-C4' energy: -84.825
flat angles P-C4'-P energy: -49.557
tors. eta vs tors. theta energy: -74.836
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: 5
=====================================
Write number: 79
Temperature: 1.150000
Total energy: -848.130174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -848.130174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -848.130174 (E_RNA)
where:
Base-Base interactions energy: -521.097
where: short stacking energy: -239.979
Base-Backbone interact. energy: 3.032
local terms energy: -330.065474
where:
bonds (distance) C4'-P energy: -74.430
bonds (distance) P-C4' energy: -78.901
flat angles C4'-P-C4' energy: -70.540
flat angles P-C4'-P energy: -50.477
tors. eta vs tors. theta energy: -55.718
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: 10
=====================================
Write number: 79
Temperature: 1.200000
Total energy: -866.593896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -866.593896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -866.593896 (E_RNA)
where:
Base-Base interactions energy: -571.939
where: short stacking energy: -262.682
Base-Backbone interact. energy: 2.397
local terms energy: -297.051776
where:
bonds (distance) C4'-P energy: -54.984
bonds (distance) P-C4' energy: -67.421
flat angles C4'-P-C4' energy: -76.112
flat angles P-C4'-P energy: -42.197
tors. eta vs tors. theta energy: -56.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 79
Temperature: 1.250000
Total energy: -648.271874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -648.271874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -648.271874 (E_RNA)
where:
Base-Base interactions energy: -403.384
where: short stacking energy: -180.562
Base-Backbone interact. energy: -1.695
local terms energy: -243.192867
where:
bonds (distance) C4'-P energy: -47.328
bonds (distance) P-C4' energy: -71.221
flat angles C4'-P-C4' energy: -56.206
flat angles P-C4'-P energy: -43.459
tors. eta vs tors. theta energy: -24.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 79
Temperature: 1.300000
Total energy: -535.152696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.152696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.152696 (E_RNA)
where:
Base-Base interactions energy: -300.820
where: short stacking energy: -158.587
Base-Backbone interact. energy: 0.575
local terms energy: -234.906770
where:
bonds (distance) C4'-P energy: -71.324
bonds (distance) P-C4' energy: -67.323
flat angles C4'-P-C4' energy: -40.506
flat angles P-C4'-P energy: -41.593
tors. eta vs tors. theta energy: -14.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 79
Temperature: 1.350000
Total energy: -346.659098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.659098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.659098 (E_RNA)
where:
Base-Base interactions energy: -141.022
where: short stacking energy: -102.859
Base-Backbone interact. energy: -0.526
local terms energy: -206.754393
where:
bonds (distance) C4'-P energy: -70.401
bonds (distance) P-C4' energy: -65.468
flat angles C4'-P-C4' energy: -49.927
flat angles P-C4'-P energy: -30.024
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: 1.643 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 80
Temperature: 0.900000
Total energy: -1272.945403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1272.945403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1272.945403 (E_RNA)
where:
Base-Base interactions energy: -871.468
where: short stacking energy: -400.273
Base-Backbone interact. energy: -1.471
local terms energy: -400.006403
where:
bonds (distance) C4'-P energy: -79.254
bonds (distance) P-C4' energy: -76.462
flat angles C4'-P-C4' energy: -79.187
flat angles P-C4'-P energy: -57.787
tors. eta vs tors. theta energy: -107.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 80
Temperature: 0.950000
Total energy: -1232.173774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1232.173774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1232.173774 (E_RNA)
where:
Base-Base interactions energy: -846.991
where: short stacking energy: -356.696
Base-Backbone interact. energy: -3.194
local terms energy: -381.988866
where:
bonds (distance) C4'-P energy: -66.091
bonds (distance) P-C4' energy: -84.108
flat angles C4'-P-C4' energy: -75.539
flat angles P-C4'-P energy: -52.068
tors. eta vs tors. theta energy: -104.182
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: 8
=====================================
Write number: 80
Temperature: 1.000000
Total energy: -1187.311714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1187.311714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1187.311714 (E_RNA)
where:
Base-Base interactions energy: -820.722
where: short stacking energy: -362.846
Base-Backbone interact. energy: -1.383
local terms energy: -365.206935
where:
bonds (distance) C4'-P energy: -55.408
bonds (distance) P-C4' energy: -65.963
flat angles C4'-P-C4' energy: -85.190
flat angles P-C4'-P energy: -53.817
tors. eta vs tors. theta energy: -104.829
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: 1
=====================================
Write number: 80
Temperature: 1.050000
Total energy: -1174.627817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1174.627817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1174.627817 (E_RNA)
where:
Base-Base interactions energy: -823.931
where: short stacking energy: -338.362
Base-Backbone interact. energy: -1.438
local terms energy: -349.258739
where:
bonds (distance) C4'-P energy: -75.010
bonds (distance) P-C4' energy: -56.408
flat angles C4'-P-C4' energy: -75.321
flat angles P-C4'-P energy: -48.351
tors. eta vs tors. theta energy: -94.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 80
Temperature: 1.100000
Total energy: -1085.442592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1085.442592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1085.442592 (E_RNA)
where:
Base-Base interactions energy: -741.568
where: short stacking energy: -325.078
Base-Backbone interact. energy: -2.913
local terms energy: -340.961963
where:
bonds (distance) C4'-P energy: -81.936
bonds (distance) P-C4' energy: -59.044
flat angles C4'-P-C4' energy: -69.321
flat angles P-C4'-P energy: -50.786
tors. eta vs tors. theta energy: -79.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 80
Temperature: 1.150000
Total energy: -900.370661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -900.370661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -900.370661 (E_RNA)
where:
Base-Base interactions energy: -580.106
where: short stacking energy: -250.020
Base-Backbone interact. energy: -1.224
local terms energy: -319.040841
where:
bonds (distance) C4'-P energy: -70.452
bonds (distance) P-C4' energy: -69.430
flat angles C4'-P-C4' energy: -71.241
flat angles P-C4'-P energy: -42.831
tors. eta vs tors. theta energy: -65.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 80
Temperature: 1.200000
Total energy: -884.727480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -884.727480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -884.727480 (E_RNA)
where:
Base-Base interactions energy: -561.569
where: short stacking energy: -267.507
Base-Backbone interact. energy: -1.069
local terms energy: -322.089158
where:
bonds (distance) C4'-P energy: -69.652
bonds (distance) P-C4' energy: -73.924
flat angles C4'-P-C4' energy: -79.455
flat angles P-C4'-P energy: -41.303
tors. eta vs tors. theta energy: -57.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 80
Temperature: 1.250000
Total energy: -669.470485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -669.470485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -669.470485 (E_RNA)
where:
Base-Base interactions energy: -402.929
where: short stacking energy: -202.624
Base-Backbone interact. energy: 3.184
local terms energy: -269.725686
where:
bonds (distance) C4'-P energy: -62.861
bonds (distance) P-C4' energy: -58.587
flat angles C4'-P-C4' energy: -71.818
flat angles P-C4'-P energy: -35.194
tors. eta vs tors. theta energy: -41.265
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: 9, replica: 9
=====================================
Write number: 80
Temperature: 1.300000
Total energy: -509.891182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.891182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.891182 (E_RNA)
where:
Base-Base interactions energy: -276.473
where: short stacking energy: -142.878
Base-Backbone interact. energy: -3.262
local terms energy: -230.155397
where:
bonds (distance) C4'-P energy: -62.717
bonds (distance) P-C4' energy: -74.719
flat angles C4'-P-C4' energy: -56.807
flat angles P-C4'-P energy: -30.445
tors. eta vs tors. theta energy: -5.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 80
Temperature: 1.350000
Total energy: -312.950129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.950129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.950129 (E_RNA)
where:
Base-Base interactions energy: -142.807
where: short stacking energy: -102.817
Base-Backbone interact. energy: 4.229
local terms energy: -174.372552
where:
bonds (distance) C4'-P energy: -63.862
bonds (distance) P-C4' energy: -55.941
flat angles C4'-P-C4' energy: -40.414
flat angles P-C4'-P energy: -21.677
tors. eta vs tors. theta energy: 7.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 81
Temperature: 0.900000
Total energy: -1287.639883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1287.639883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1287.639883 (E_RNA)
where:
Base-Base interactions energy: -868.163
where: short stacking energy: -399.456
Base-Backbone interact. energy: -1.631
local terms energy: -417.845613
where:
bonds (distance) C4'-P energy: -74.982
bonds (distance) P-C4' energy: -89.680
flat angles C4'-P-C4' energy: -86.869
flat angles P-C4'-P energy: -58.664
tors. eta vs tors. theta energy: -107.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 81
Temperature: 0.950000
Total energy: -1240.531908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1240.531908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1240.531908 (E_RNA)
where:
Base-Base interactions energy: -848.949
where: short stacking energy: -361.915
Base-Backbone interact. energy: -3.961
local terms energy: -387.622459
where:
bonds (distance) C4'-P energy: -80.757
bonds (distance) P-C4' energy: -82.961
flat angles C4'-P-C4' energy: -80.257
flat angles P-C4'-P energy: -51.210
tors. eta vs tors. theta energy: -92.437
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: 8
=====================================
Write number: 81
Temperature: 1.000000
Total energy: -1216.049971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1216.049971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1216.049971 (E_RNA)
where:
Base-Base interactions energy: -830.375
where: short stacking energy: -361.625
Base-Backbone interact. energy: -1.673
local terms energy: -385.284760
where:
bonds (distance) C4'-P energy: -63.287
bonds (distance) P-C4' energy: -87.712
flat angles C4'-P-C4' energy: -79.585
flat angles P-C4'-P energy: -50.481
tors. eta vs tors. theta energy: -104.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.282 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 81
Temperature: 1.050000
Total energy: -1203.099777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1203.099777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1203.099777 (E_RNA)
where:
Base-Base interactions energy: -848.911
where: short stacking energy: -372.820
Base-Backbone interact. energy: 0.000
local terms energy: -354.189097
where:
bonds (distance) C4'-P energy: -69.281
bonds (distance) P-C4' energy: -61.982
flat angles C4'-P-C4' energy: -81.194
flat angles P-C4'-P energy: -48.564
tors. eta vs tors. theta energy: -93.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 81
Temperature: 1.100000
Total energy: -1104.189891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1104.189891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1104.189891 (E_RNA)
where:
Base-Base interactions energy: -788.039
where: short stacking energy: -313.759
Base-Backbone interact. energy: -0.194
local terms energy: -316.910452
where:
bonds (distance) C4'-P energy: -58.416
bonds (distance) P-C4' energy: -62.375
flat angles C4'-P-C4' energy: -67.615
flat angles P-C4'-P energy: -51.015
tors. eta vs tors. theta energy: -77.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.953 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 81
Temperature: 1.150000
Total energy: -881.948808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -881.948808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -881.948808 (E_RNA)
where:
Base-Base interactions energy: -583.272
where: short stacking energy: -245.809
Base-Backbone interact. energy: -1.697
local terms energy: -296.980369
where:
bonds (distance) C4'-P energy: -49.468
bonds (distance) P-C4' energy: -61.498
flat angles C4'-P-C4' energy: -70.763
flat angles P-C4'-P energy: -49.127
tors. eta vs tors. theta energy: -66.124
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: 81
Temperature: 1.200000
Total energy: -839.356597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -839.356597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -839.356597 (E_RNA)
where:
Base-Base interactions energy: -553.860
where: short stacking energy: -240.600
Base-Backbone interact. energy: -1.778
local terms energy: -283.719206
where:
bonds (distance) C4'-P energy: -63.845
bonds (distance) P-C4' energy: -72.188
flat angles C4'-P-C4' energy: -56.905
flat angles P-C4'-P energy: -46.189
tors. eta vs tors. theta energy: -44.592
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: 7
=====================================
Write number: 81
Temperature: 1.250000
Total energy: -687.397267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -687.397267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -687.397267 (E_RNA)
where:
Base-Base interactions energy: -405.715
where: short stacking energy: -211.182
Base-Backbone interact. energy: -1.191
local terms energy: -280.490753
where:
bonds (distance) C4'-P energy: -61.188
bonds (distance) P-C4' energy: -69.243
flat angles C4'-P-C4' energy: -69.791
flat angles P-C4'-P energy: -31.858
tors. eta vs tors. theta energy: -48.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 81
Temperature: 1.300000
Total energy: -577.490757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -577.490757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -577.490757 (E_RNA)
where:
Base-Base interactions energy: -327.035
where: short stacking energy: -135.450
Base-Backbone interact. energy: -1.266
local terms energy: -249.189964
where:
bonds (distance) C4'-P energy: -57.060
bonds (distance) P-C4' energy: -69.386
flat angles C4'-P-C4' energy: -66.403
flat angles P-C4'-P energy: -46.381
tors. eta vs tors. theta energy: -9.960
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: 10, replica: 4
=====================================
Write number: 81
Temperature: 1.350000
Total energy: -328.038804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.038804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.038804 (E_RNA)
where:
Base-Base interactions energy: -123.871
where: short stacking energy: -91.905
Base-Backbone interact. energy: -1.414
local terms energy: -202.753177
where:
bonds (distance) C4'-P energy: -61.805
bonds (distance) P-C4' energy: -77.098
flat angles C4'-P-C4' energy: -39.252
flat angles P-C4'-P energy: -34.214
tors. eta vs tors. theta energy: 9.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 82
Temperature: 0.900000
Total energy: -1292.820142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1292.820142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1292.820142 (E_RNA)
where:
Base-Base interactions energy: -885.682
where: short stacking energy: -384.674
Base-Backbone interact. energy: -2.611
local terms energy: -404.527996
where:
bonds (distance) C4'-P energy: -81.519
bonds (distance) P-C4' energy: -78.107
flat angles C4'-P-C4' energy: -89.222
flat angles P-C4'-P energy: -52.329
tors. eta vs tors. theta energy: -103.351
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: 3
=====================================
Write number: 82
Temperature: 0.950000
Total energy: -1232.891300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1232.891300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1232.891300 (E_RNA)
where:
Base-Base interactions energy: -838.689
where: short stacking energy: -372.929
Base-Backbone interact. energy: -2.313
local terms energy: -391.888587
where:
bonds (distance) C4'-P energy: -75.261
bonds (distance) P-C4' energy: -78.321
flat angles C4'-P-C4' energy: -73.750
flat angles P-C4'-P energy: -64.444
tors. eta vs tors. theta energy: -100.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 82
Temperature: 1.000000
Total energy: -1185.401031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1185.401031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1185.401031 (E_RNA)
where:
Base-Base interactions energy: -802.179
where: short stacking energy: -333.133
Base-Backbone interact. energy: -2.517
local terms energy: -380.705365
where:
bonds (distance) C4'-P energy: -74.468
bonds (distance) P-C4' energy: -80.655
flat angles C4'-P-C4' energy: -83.322
flat angles P-C4'-P energy: -39.066
tors. eta vs tors. theta energy: -103.194
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: 4, replica: 1
=====================================
Write number: 82
Temperature: 1.050000
Total energy: -1216.966595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1216.966595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1216.966595 (E_RNA)
where:
Base-Base interactions energy: -828.342
where: short stacking energy: -375.045
Base-Backbone interact. energy: 0.994
local terms energy: -389.618213
where:
bonds (distance) C4'-P energy: -83.135
bonds (distance) P-C4' energy: -61.733
flat angles C4'-P-C4' energy: -83.011
flat angles P-C4'-P energy: -57.475
tors. eta vs tors. theta energy: -104.264
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: 6
=====================================
Write number: 82
Temperature: 1.100000
Total energy: -1059.240751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1059.240751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1059.240751 (E_RNA)
where:
Base-Base interactions energy: -712.103
where: short stacking energy: -299.021
Base-Backbone interact. energy: -3.955
local terms energy: -343.851855
where:
bonds (distance) C4'-P energy: -77.610
bonds (distance) P-C4' energy: -68.588
flat angles C4'-P-C4' energy: -74.707
flat angles P-C4'-P energy: -53.556
tors. eta vs tors. theta energy: -69.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.669 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 82
Temperature: 1.150000
Total energy: -879.676898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -879.676898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -879.676898 (E_RNA)
where:
Base-Base interactions energy: -577.092
where: short stacking energy: -243.578
Base-Backbone interact. energy: -1.777
local terms energy: -300.807133
where:
bonds (distance) C4'-P energy: -67.641
bonds (distance) P-C4' energy: -55.459
flat angles C4'-P-C4' energy: -66.833
flat angles P-C4'-P energy: -47.198
tors. eta vs tors. theta energy: -63.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 82
Temperature: 1.200000
Total energy: -835.808920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -835.808920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -835.808920 (E_RNA)
where:
Base-Base interactions energy: -510.886
where: short stacking energy: -253.299
Base-Backbone interact. energy: -0.799
local terms energy: -324.123709
where:
bonds (distance) C4'-P energy: -68.497
bonds (distance) P-C4' energy: -80.657
flat angles C4'-P-C4' energy: -70.100
flat angles P-C4'-P energy: -45.166
tors. eta vs tors. theta energy: -59.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 82
Temperature: 1.250000
Total energy: -645.995728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -645.995728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -645.995728 (E_RNA)
where:
Base-Base interactions energy: -385.438
where: short stacking energy: -198.265
Base-Backbone interact. energy: 0.272
local terms energy: -260.829804
where:
bonds (distance) C4'-P energy: -64.677
bonds (distance) P-C4' energy: -71.201
flat angles C4'-P-C4' energy: -46.034
flat angles P-C4'-P energy: -41.306
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: 9, replica: 9
=====================================
Write number: 82
Temperature: 1.300000
Total energy: -524.311115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.311115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.311115 (E_RNA)
where:
Base-Base interactions energy: -287.952
where: short stacking energy: -147.611
Base-Backbone interact. energy: -1.916
local terms energy: -234.443496
where:
bonds (distance) C4'-P energy: -57.890
bonds (distance) P-C4' energy: -67.579
flat angles C4'-P-C4' energy: -51.083
flat angles P-C4'-P energy: -51.847
tors. eta vs tors. theta energy: -6.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 82
Temperature: 1.350000
Total energy: -362.171611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.171611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.171611 (E_RNA)
where:
Base-Base interactions energy: -169.930
where: short stacking energy: -109.899
Base-Backbone interact. energy: -2.333
local terms energy: -189.908423
where:
bonds (distance) C4'-P energy: -44.329
bonds (distance) P-C4' energy: -75.535
flat angles C4'-P-C4' energy: -47.065
flat angles P-C4'-P energy: -22.091
tors. eta vs tors. theta energy: -0.889
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: 1, replica: 2
=====================================
Write number: 83
Temperature: 0.900000
Total energy: -1266.660593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1266.660593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1266.660593 (E_RNA)
where:
Base-Base interactions energy: -866.618
where: short stacking energy: -362.419
Base-Backbone interact. energy: -3.816
local terms energy: -396.226927
where:
bonds (distance) C4'-P energy: -72.965
bonds (distance) P-C4' energy: -78.886
flat angles C4'-P-C4' energy: -76.742
flat angles P-C4'-P energy: -64.261
tors. eta vs tors. theta energy: -103.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 83
Temperature: 0.950000
Total energy: -1214.370346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1214.370346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1214.370346 (E_RNA)
where:
Base-Base interactions energy: -837.484
where: short stacking energy: -362.395
Base-Backbone interact. energy: -1.373
local terms energy: -375.512978
where:
bonds (distance) C4'-P energy: -79.396
bonds (distance) P-C4' energy: -65.431
flat angles C4'-P-C4' energy: -76.666
flat angles P-C4'-P energy: -53.555
tors. eta vs tors. theta energy: -100.466
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: 3, replica: 3
=====================================
Write number: 83
Temperature: 1.000000
Total energy: -1209.284826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1209.284826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1209.284826 (E_RNA)
where:
Base-Base interactions energy: -828.425
where: short stacking energy: -352.894
Base-Backbone interact. energy: -0.689
local terms energy: -380.171271
where:
bonds (distance) C4'-P energy: -71.399
bonds (distance) P-C4' energy: -77.328
flat angles C4'-P-C4' energy: -73.528
flat angles P-C4'-P energy: -54.503
tors. eta vs tors. theta energy: -103.412
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: 1
=====================================
Write number: 83
Temperature: 1.050000
Total energy: -1148.759162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1148.759162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1148.759162 (E_RNA)
where:
Base-Base interactions energy: -791.564
where: short stacking energy: -331.320
Base-Backbone interact. energy: -2.176
local terms energy: -355.019548
where:
bonds (distance) C4'-P energy: -66.499
bonds (distance) P-C4' energy: -71.996
flat angles C4'-P-C4' energy: -83.092
flat angles P-C4'-P energy: -55.196
tors. eta vs tors. theta energy: -78.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 83
Temperature: 1.100000
Total energy: -1031.548091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1031.548091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1031.548091 (E_RNA)
where:
Base-Base interactions energy: -714.802
where: short stacking energy: -289.513
Base-Backbone interact. energy: -1.250
local terms energy: -317.082585
where:
bonds (distance) C4'-P energy: -61.510
bonds (distance) P-C4' energy: -67.321
flat angles C4'-P-C4' energy: -77.731
flat angles P-C4'-P energy: -39.181
tors. eta vs tors. theta energy: -71.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.587 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 83
Temperature: 1.150000
Total energy: -888.552725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -888.552725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -888.552725 (E_RNA)
where:
Base-Base interactions energy: -539.941
where: short stacking energy: -268.097
Base-Backbone interact. energy: -0.980
local terms energy: -347.631848
where:
bonds (distance) C4'-P energy: -69.541
bonds (distance) P-C4' energy: -74.927
flat angles C4'-P-C4' energy: -79.042
flat angles P-C4'-P energy: -54.893
tors. eta vs tors. theta energy: -69.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 83
Temperature: 1.200000
Total energy: -861.757851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -861.757851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -861.757851 (E_RNA)
where:
Base-Base interactions energy: -585.465
where: short stacking energy: -256.357
Base-Backbone interact. energy: -2.096
local terms energy: -274.196711
where:
bonds (distance) C4'-P energy: -44.439
bonds (distance) P-C4' energy: -65.189
flat angles C4'-P-C4' energy: -64.285
flat angles P-C4'-P energy: -45.960
tors. eta vs tors. theta energy: -54.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 83
Temperature: 1.250000
Total energy: -598.813983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -598.813983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -598.813983 (E_RNA)
where:
Base-Base interactions energy: -353.777
where: short stacking energy: -165.848
Base-Backbone interact. energy: -2.858
local terms energy: -242.178629
where:
bonds (distance) C4'-P energy: -71.534
bonds (distance) P-C4' energy: -60.765
flat angles C4'-P-C4' energy: -51.282
flat angles P-C4'-P energy: -39.923
tors. eta vs tors. theta energy: -18.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 83
Temperature: 1.300000
Total energy: -623.883881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -623.883881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -623.883881 (E_RNA)
where:
Base-Base interactions energy: -390.676
where: short stacking energy: -190.054
Base-Backbone interact. energy: -1.269
local terms energy: -231.938611
where:
bonds (distance) C4'-P energy: -58.919
bonds (distance) P-C4' energy: -55.916
flat angles C4'-P-C4' energy: -51.168
flat angles P-C4'-P energy: -45.418
tors. eta vs tors. theta energy: -20.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 83
Temperature: 1.350000
Total energy: -413.915652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.915652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.915652 (E_RNA)
where:
Base-Base interactions energy: -200.785
where: short stacking energy: -96.124
Base-Backbone interact. energy: 3.399
local terms energy: -216.529744
where:
bonds (distance) C4'-P energy: -62.317
bonds (distance) P-C4' energy: -66.959
flat angles C4'-P-C4' energy: -48.895
flat angles P-C4'-P energy: -42.219
tors. eta vs tors. theta energy: 3.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 84
Temperature: 0.900000
Total energy: -1269.719605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1269.719605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1269.719605 (E_RNA)
where:
Base-Base interactions energy: -864.167
where: short stacking energy: -372.962
Base-Backbone interact. energy: -2.446
local terms energy: -403.106265
where:
bonds (distance) C4'-P energy: -73.959
bonds (distance) P-C4' energy: -85.699
flat angles C4'-P-C4' energy: -86.367
flat angles P-C4'-P energy: -63.079
tors. eta vs tors. theta energy: -94.002
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: 2, replica: 8
=====================================
Write number: 84
Temperature: 0.950000
Total energy: -1237.643150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1237.643150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1237.643150 (E_RNA)
where:
Base-Base interactions energy: -843.054
where: short stacking energy: -353.841
Base-Backbone interact. energy: -0.812
local terms energy: -393.776572
where:
bonds (distance) C4'-P energy: -74.806
bonds (distance) P-C4' energy: -76.310
flat angles C4'-P-C4' energy: -84.918
flat angles P-C4'-P energy: -57.064
tors. eta vs tors. theta energy: -100.680
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: 3, replica: 3
=====================================
Write number: 84
Temperature: 1.000000
Total energy: -1202.798970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1202.798970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1202.798970 (E_RNA)
where:
Base-Base interactions energy: -824.968
where: short stacking energy: -360.622
Base-Backbone interact. energy: -2.800
local terms energy: -375.030899
where:
bonds (distance) C4'-P energy: -66.846
bonds (distance) P-C4' energy: -72.931
flat angles C4'-P-C4' energy: -85.984
flat angles P-C4'-P energy: -48.546
tors. eta vs tors. theta energy: -100.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 84
Temperature: 1.050000
Total energy: -1167.723968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1167.723968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1167.723968 (E_RNA)
where:
Base-Base interactions energy: -791.465
where: short stacking energy: -348.910
Base-Backbone interact. energy: 0.855
local terms energy: -377.113548
where:
bonds (distance) C4'-P energy: -68.727
bonds (distance) P-C4' energy: -75.609
flat angles C4'-P-C4' energy: -80.583
flat angles P-C4'-P energy: -52.703
tors. eta vs tors. theta energy: -99.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 84
Temperature: 1.100000
Total energy: -1021.626521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1021.626521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1021.626521 (E_RNA)
where:
Base-Base interactions energy: -706.449
where: short stacking energy: -287.950
Base-Backbone interact. energy: -1.955
local terms energy: -313.222560
where:
bonds (distance) C4'-P energy: -68.311
bonds (distance) P-C4' energy: -59.025
flat angles C4'-P-C4' energy: -68.550
flat angles P-C4'-P energy: -49.273
tors. eta vs tors. theta energy: -68.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 84
Temperature: 1.150000
Total energy: -888.291609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -888.291609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -888.291609 (E_RNA)
where:
Base-Base interactions energy: -567.230
where: short stacking energy: -278.333
Base-Backbone interact. energy: -0.532
local terms energy: -320.529671
where:
bonds (distance) C4'-P energy: -66.332
bonds (distance) P-C4' energy: -71.784
flat angles C4'-P-C4' energy: -76.587
flat angles P-C4'-P energy: -41.201
tors. eta vs tors. theta energy: -64.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 84
Temperature: 1.200000
Total energy: -863.854054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -863.854054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -863.854054 (E_RNA)
where:
Base-Base interactions energy: -555.564
where: short stacking energy: -237.778
Base-Backbone interact. energy: -0.895
local terms energy: -307.394855
where:
bonds (distance) C4'-P energy: -63.274
bonds (distance) P-C4' energy: -61.456
flat angles C4'-P-C4' energy: -83.511
flat angles P-C4'-P energy: -47.162
tors. eta vs tors. theta energy: -51.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 84
Temperature: 1.250000
Total energy: -597.271059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -597.271059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -597.271059 (E_RNA)
where:
Base-Base interactions energy: -365.581
where: short stacking energy: -167.991
Base-Backbone interact. energy: 4.303
local terms energy: -235.992863
where:
bonds (distance) C4'-P energy: -60.560
bonds (distance) P-C4' energy: -65.276
flat angles C4'-P-C4' energy: -61.537
flat angles P-C4'-P energy: -26.330
tors. eta vs tors. theta energy: -22.290
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: 9
=====================================
Write number: 84
Temperature: 1.300000
Total energy: -656.870315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -656.870315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -656.870315 (E_RNA)
where:
Base-Base interactions energy: -379.005
where: short stacking energy: -174.163
Base-Backbone interact. energy: -2.389
local terms energy: -275.476468
where:
bonds (distance) C4'-P energy: -64.810
bonds (distance) P-C4' energy: -77.823
flat angles C4'-P-C4' energy: -61.958
flat angles P-C4'-P energy: -47.517
tors. eta vs tors. theta energy: -23.368
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: 4
=====================================
Write number: 84
Temperature: 1.350000
Total energy: -418.269160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.269160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.269160 (E_RNA)
where:
Base-Base interactions energy: -206.883
where: short stacking energy: -134.119
Base-Backbone interact. energy: 1.803
local terms energy: -213.189528
where:
bonds (distance) C4'-P energy: -66.029
bonds (distance) P-C4' energy: -47.166
flat angles C4'-P-C4' energy: -63.230
flat angles P-C4'-P energy: -29.229
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: 2
=====================================
Write number: 85
Temperature: 0.900000
Total energy: -1280.913686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1280.913686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1280.913686 (E_RNA)
where:
Base-Base interactions energy: -874.011
where: short stacking energy: -382.546
Base-Backbone interact. energy: -2.089
local terms energy: -404.814218
where:
bonds (distance) C4'-P energy: -81.088
bonds (distance) P-C4' energy: -69.839
flat angles C4'-P-C4' energy: -88.251
flat angles P-C4'-P energy: -55.544
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: 2, replica: 8
=====================================
Write number: 85
Temperature: 0.950000
Total energy: -1257.000124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1257.000124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1257.000124 (E_RNA)
where:
Base-Base interactions energy: -861.653
where: short stacking energy: -368.918
Base-Backbone interact. energy: -1.357
local terms energy: -393.989836
where:
bonds (distance) C4'-P energy: -67.983
bonds (distance) P-C4' energy: -72.000
flat angles C4'-P-C4' energy: -88.243
flat angles P-C4'-P energy: -60.835
tors. eta vs tors. theta energy: -104.928
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: 3
=====================================
Write number: 85
Temperature: 1.000000
Total energy: -1242.794759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1242.794759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1242.794759 (E_RNA)
where:
Base-Base interactions energy: -851.187
where: short stacking energy: -368.411
Base-Backbone interact. energy: -3.749
local terms energy: -387.858950
where:
bonds (distance) C4'-P energy: -67.425
bonds (distance) P-C4' energy: -87.570
flat angles C4'-P-C4' energy: -85.116
flat angles P-C4'-P energy: -41.768
tors. eta vs tors. theta energy: -105.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 85
Temperature: 1.050000
Total energy: -1160.434346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1160.434346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1160.434346 (E_RNA)
where:
Base-Base interactions energy: -804.759
where: short stacking energy: -327.572
Base-Backbone interact. energy: -3.598
local terms energy: -352.076712
where:
bonds (distance) C4'-P energy: -69.578
bonds (distance) P-C4' energy: -57.426
flat angles C4'-P-C4' energy: -74.050
flat angles P-C4'-P energy: -58.303
tors. eta vs tors. theta energy: -92.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 85
Temperature: 1.100000
Total energy: -1035.030172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1035.030172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1035.030172 (E_RNA)
where:
Base-Base interactions energy: -709.130
where: short stacking energy: -257.921
Base-Backbone interact. energy: 0.830
local terms energy: -326.979461
where:
bonds (distance) C4'-P energy: -63.688
bonds (distance) P-C4' energy: -81.933
flat angles C4'-P-C4' energy: -70.216
flat angles P-C4'-P energy: -47.924
tors. eta vs tors. theta energy: -63.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.249 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 85
Temperature: 1.150000
Total energy: -899.906536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -899.906536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -899.906536 (E_RNA)
where:
Base-Base interactions energy: -584.895
where: short stacking energy: -269.470
Base-Backbone interact. energy: -1.460
local terms energy: -313.552309
where:
bonds (distance) C4'-P energy: -61.567
bonds (distance) P-C4' energy: -66.468
flat angles C4'-P-C4' energy: -72.701
flat angles P-C4'-P energy: -51.551
tors. eta vs tors. theta energy: -61.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 85
Temperature: 1.200000
Total energy: -838.809697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -838.809697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -838.809697 (E_RNA)
where:
Base-Base interactions energy: -551.891
where: short stacking energy: -243.039
Base-Backbone interact. energy: 0.094
local terms energy: -287.012930
where:
bonds (distance) C4'-P energy: -47.239
bonds (distance) P-C4' energy: -70.283
flat angles C4'-P-C4' energy: -75.541
flat angles P-C4'-P energy: -46.598
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: 8, replica: 7
=====================================
Write number: 85
Temperature: 1.250000
Total energy: -643.180525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -643.180525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -643.180525 (E_RNA)
where:
Base-Base interactions energy: -373.863
where: short stacking energy: -197.610
Base-Backbone interact. energy: -0.955
local terms energy: -268.363083
where:
bonds (distance) C4'-P energy: -58.396
bonds (distance) P-C4' energy: -63.439
flat angles C4'-P-C4' energy: -67.803
flat angles P-C4'-P energy: -39.648
tors. eta vs tors. theta energy: -39.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 85
Temperature: 1.300000
Total energy: -674.287695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -674.287695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -674.287695 (E_RNA)
where:
Base-Base interactions energy: -418.705
where: short stacking energy: -189.505
Base-Backbone interact. energy: -0.690
local terms energy: -254.892635
where:
bonds (distance) C4'-P energy: -57.477
bonds (distance) P-C4' energy: -66.365
flat angles C4'-P-C4' energy: -72.569
flat angles P-C4'-P energy: -44.872
tors. eta vs tors. theta energy: -13.609
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: 4
=====================================
Write number: 85
Temperature: 1.350000
Total energy: -423.106091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.106091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.106091 (E_RNA)
where:
Base-Base interactions energy: -206.171
where: short stacking energy: -116.710
Base-Backbone interact. energy: -0.138
local terms energy: -216.797106
where:
bonds (distance) C4'-P energy: -57.340
bonds (distance) P-C4' energy: -75.442
flat angles C4'-P-C4' energy: -46.120
flat angles P-C4'-P energy: -31.749
tors. eta vs tors. theta energy: -6.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 86
Temperature: 0.900000
Total energy: -1286.772604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1286.772604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1286.772604 (E_RNA)
where:
Base-Base interactions energy: -878.330
where: short stacking energy: -386.607
Base-Backbone interact. energy: -1.072
local terms energy: -407.370601
where:
bonds (distance) C4'-P energy: -78.279
bonds (distance) P-C4' energy: -77.924
flat angles C4'-P-C4' energy: -86.465
flat angles P-C4'-P energy: -61.689
tors. eta vs tors. theta energy: -103.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 86
Temperature: 0.950000
Total energy: -1287.587749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1287.587749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1287.587749 (E_RNA)
where:
Base-Base interactions energy: -883.872
where: short stacking energy: -353.729
Base-Backbone interact. energy: -2.946
local terms energy: -400.770158
where:
bonds (distance) C4'-P energy: -74.441
bonds (distance) P-C4' energy: -68.227
flat angles C4'-P-C4' energy: -92.211
flat angles P-C4'-P energy: -58.024
tors. eta vs tors. theta energy: -107.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 86
Temperature: 1.000000
Total energy: -1271.154969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1271.154969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1271.154969 (E_RNA)
where:
Base-Base interactions energy: -865.983
where: short stacking energy: -371.688
Base-Backbone interact. energy: -1.000
local terms energy: -404.171634
where:
bonds (distance) C4'-P energy: -82.976
bonds (distance) P-C4' energy: -76.541
flat angles C4'-P-C4' energy: -86.690
flat angles P-C4'-P energy: -52.665
tors. eta vs tors. theta energy: -105.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 86
Temperature: 1.050000
Total energy: -1197.362498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1197.362498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1197.362498 (E_RNA)
where:
Base-Base interactions energy: -820.120
where: short stacking energy: -354.783
Base-Backbone interact. energy: -1.914
local terms energy: -375.329277
where:
bonds (distance) C4'-P energy: -65.537
bonds (distance) P-C4' energy: -72.968
flat angles C4'-P-C4' energy: -82.964
flat angles P-C4'-P energy: -52.122
tors. eta vs tors. theta energy: -101.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 86
Temperature: 1.100000
Total energy: -1034.703655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1034.703655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1034.703655 (E_RNA)
where:
Base-Base interactions energy: -731.143
where: short stacking energy: -266.350
Base-Backbone interact. energy: -0.257
local terms energy: -303.303617
where:
bonds (distance) C4'-P energy: -64.172
bonds (distance) P-C4' energy: -71.831
flat angles C4'-P-C4' energy: -81.341
flat angles P-C4'-P energy: -35.019
tors. eta vs tors. theta energy: -50.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 86
Temperature: 1.150000
Total energy: -941.998954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -941.998954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -941.998954 (E_RNA)
where:
Base-Base interactions energy: -607.326
where: short stacking energy: -268.457
Base-Backbone interact. energy: -3.774
local terms energy: -330.898417
where:
bonds (distance) C4'-P energy: -65.469
bonds (distance) P-C4' energy: -71.630
flat angles C4'-P-C4' energy: -76.002
flat angles P-C4'-P energy: -56.275
tors. eta vs tors. theta energy: -61.522
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: 86
Temperature: 1.200000
Total energy: -853.558486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -853.558486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -853.558486 (E_RNA)
where:
Base-Base interactions energy: -537.982
where: short stacking energy: -253.396
Base-Backbone interact. energy: -2.068
local terms energy: -313.507762
where:
bonds (distance) C4'-P energy: -69.610
bonds (distance) P-C4' energy: -78.782
flat angles C4'-P-C4' energy: -65.223
flat angles P-C4'-P energy: -44.390
tors. eta vs tors. theta energy: -55.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 86
Temperature: 1.250000
Total energy: -621.992448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -621.992448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -621.992448 (E_RNA)
where:
Base-Base interactions energy: -366.276
where: short stacking energy: -179.118
Base-Backbone interact. energy: -0.552
local terms energy: -255.164067
where:
bonds (distance) C4'-P energy: -55.180
bonds (distance) P-C4' energy: -83.559
flat angles C4'-P-C4' energy: -65.250
flat angles P-C4'-P energy: -28.549
tors. eta vs tors. theta energy: -22.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 86
Temperature: 1.300000
Total energy: -694.168452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -694.168452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -694.168452 (E_RNA)
where:
Base-Base interactions energy: -420.742
where: short stacking energy: -184.340
Base-Backbone interact. energy: -2.176
local terms energy: -271.250221
where:
bonds (distance) C4'-P energy: -55.752
bonds (distance) P-C4' energy: -70.459
flat angles C4'-P-C4' energy: -66.926
flat angles P-C4'-P energy: -40.047
tors. eta vs tors. theta energy: -38.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 86
Temperature: 1.350000
Total energy: -408.860458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.860458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.860458 (E_RNA)
where:
Base-Base interactions energy: -190.937
where: short stacking energy: -118.943
Base-Backbone interact. energy: -0.872
local terms energy: -217.051791
where:
bonds (distance) C4'-P energy: -53.942
bonds (distance) P-C4' energy: -54.522
flat angles C4'-P-C4' energy: -63.871
flat angles P-C4'-P energy: -41.114
tors. eta vs tors. theta energy: -3.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 87
Temperature: 0.900000
Total energy: -1269.801965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1269.801965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1269.801965 (E_RNA)
where:
Base-Base interactions energy: -860.838
where: short stacking energy: -375.226
Base-Backbone interact. energy: -2.424
local terms energy: -406.540282
where:
bonds (distance) C4'-P energy: -85.626
bonds (distance) P-C4' energy: -73.385
flat angles C4'-P-C4' energy: -85.222
flat angles P-C4'-P energy: -54.875
tors. eta vs tors. theta energy: -107.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 87
Temperature: 0.950000
Total energy: -1295.706137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1295.706137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1295.706137 (E_RNA)
where:
Base-Base interactions energy: -895.508
where: short stacking energy: -410.195
Base-Backbone interact. energy: -1.979
local terms energy: -398.218560
where:
bonds (distance) C4'-P energy: -62.146
bonds (distance) P-C4' energy: -74.954
flat angles C4'-P-C4' energy: -86.398
flat angles P-C4'-P energy: -59.520
tors. eta vs tors. theta energy: -115.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 87
Temperature: 1.000000
Total energy: -1261.640324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1261.640324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1261.640324 (E_RNA)
where:
Base-Base interactions energy: -863.915
where: short stacking energy: -359.767
Base-Backbone interact. energy: 1.070
local terms energy: -398.794802
where:
bonds (distance) C4'-P energy: -78.544
bonds (distance) P-C4' energy: -78.067
flat angles C4'-P-C4' energy: -86.655
flat angles P-C4'-P energy: -53.112
tors. eta vs tors. theta energy: -102.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 87
Temperature: 1.050000
Total energy: -1162.428950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1162.428950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1162.428950 (E_RNA)
where:
Base-Base interactions energy: -803.389
where: short stacking energy: -338.117
Base-Backbone interact. energy: -0.390
local terms energy: -358.649606
where:
bonds (distance) C4'-P energy: -67.827
bonds (distance) P-C4' energy: -65.353
flat angles C4'-P-C4' energy: -79.624
flat angles P-C4'-P energy: -46.765
tors. eta vs tors. theta energy: -99.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 87
Temperature: 1.100000
Total energy: -968.931968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -968.931968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -968.931968 (E_RNA)
where:
Base-Base interactions energy: -681.638
where: short stacking energy: -279.535
Base-Backbone interact. energy: -5.396
local terms energy: -281.897813
where:
bonds (distance) C4'-P energy: -50.890
bonds (distance) P-C4' energy: -66.044
flat angles C4'-P-C4' energy: -74.946
flat angles P-C4'-P energy: -40.467
tors. eta vs tors. theta energy: -49.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 87
Temperature: 1.150000
Total energy: -980.939999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -980.939999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -980.939999 (E_RNA)
where:
Base-Base interactions energy: -648.814
where: short stacking energy: -290.006
Base-Backbone interact. energy: -1.691
local terms energy: -330.434915
where:
bonds (distance) C4'-P energy: -56.154
bonds (distance) P-C4' energy: -76.892
flat angles C4'-P-C4' energy: -81.965
flat angles P-C4'-P energy: -49.257
tors. eta vs tors. theta energy: -66.167
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: 7, replica: 5
=====================================
Write number: 87
Temperature: 1.200000
Total energy: -857.789506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -857.789506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -857.789506 (E_RNA)
where:
Base-Base interactions energy: -570.667
where: short stacking energy: -247.624
Base-Backbone interact. energy: 0.168
local terms energy: -287.290153
where:
bonds (distance) C4'-P energy: -45.640
bonds (distance) P-C4' energy: -71.503
flat angles C4'-P-C4' energy: -68.111
flat angles P-C4'-P energy: -45.905
tors. eta vs tors. theta energy: -56.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 87
Temperature: 1.250000
Total energy: -675.184420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -675.184420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -675.184420 (E_RNA)
where:
Base-Base interactions energy: -401.819
where: short stacking energy: -190.202
Base-Backbone interact. energy: -0.776
local terms energy: -272.588895
where:
bonds (distance) C4'-P energy: -64.412
bonds (distance) P-C4' energy: -63.325
flat angles C4'-P-C4' energy: -72.945
flat angles P-C4'-P energy: -40.660
tors. eta vs tors. theta energy: -31.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 87
Temperature: 1.300000
Total energy: -611.509587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -611.509587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -611.509587 (E_RNA)
where:
Base-Base interactions energy: -371.956
where: short stacking energy: -182.063
Base-Backbone interact. energy: 1.891
local terms energy: -241.444994
where:
bonds (distance) C4'-P energy: -74.345
bonds (distance) P-C4' energy: -70.695
flat angles C4'-P-C4' energy: -49.452
flat angles P-C4'-P energy: -21.625
tors. eta vs tors. theta energy: -25.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 87
Temperature: 1.350000
Total energy: -414.393012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.393012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.393012 (E_RNA)
where:
Base-Base interactions energy: -194.597
where: short stacking energy: -100.662
Base-Backbone interact. energy: -0.420
local terms energy: -219.376356
where:
bonds (distance) C4'-P energy: -67.509
bonds (distance) P-C4' energy: -64.673
flat angles C4'-P-C4' energy: -48.759
flat angles P-C4'-P energy: -40.956
tors. eta vs tors. theta energy: 2.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 88
Temperature: 0.900000
Total energy: -1292.277392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1292.277392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1292.277392 (E_RNA)
where:
Base-Base interactions energy: -900.599
where: short stacking energy: -364.202
Base-Backbone interact. energy: 0.153
local terms energy: -391.830966
where:
bonds (distance) C4'-P energy: -73.505
bonds (distance) P-C4' energy: -83.160
flat angles C4'-P-C4' energy: -84.479
flat angles P-C4'-P energy: -45.225
tors. eta vs tors. theta energy: -105.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 88
Temperature: 0.950000
Total energy: -1236.328523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1236.328523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1236.328523 (E_RNA)
where:
Base-Base interactions energy: -830.602
where: short stacking energy: -360.460
Base-Backbone interact. energy: -3.654
local terms energy: -402.072982
where:
bonds (distance) C4'-P energy: -76.067
bonds (distance) P-C4' energy: -79.233
flat angles C4'-P-C4' energy: -88.809
flat angles P-C4'-P energy: -57.932
tors. eta vs tors. theta energy: -100.031
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: 3, replica: 8
=====================================
Write number: 88
Temperature: 1.000000
Total energy: -1249.108780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1249.108780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1249.108780 (E_RNA)
where:
Base-Base interactions energy: -862.721
where: short stacking energy: -353.725
Base-Backbone interact. energy: -3.919
local terms energy: -382.468371
where:
bonds (distance) C4'-P energy: -76.787
bonds (distance) P-C4' energy: -76.164
flat angles C4'-P-C4' energy: -80.135
flat angles P-C4'-P energy: -48.973
tors. eta vs tors. theta energy: -100.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 88
Temperature: 1.050000
Total energy: -1139.529200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1139.529200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1139.529200 (E_RNA)
where:
Base-Base interactions energy: -791.951
where: short stacking energy: -347.544
Base-Backbone interact. energy: 2.705
local terms energy: -350.283156
where:
bonds (distance) C4'-P energy: -74.420
bonds (distance) P-C4' energy: -59.360
flat angles C4'-P-C4' energy: -80.342
flat angles P-C4'-P energy: -53.182
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: 5, replica: 6
=====================================
Write number: 88
Temperature: 1.100000
Total energy: -981.632308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -981.632308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -981.632308 (E_RNA)
where:
Base-Base interactions energy: -661.031
where: short stacking energy: -274.434
Base-Backbone interact. energy: -0.519
local terms energy: -320.082827
where:
bonds (distance) C4'-P energy: -84.219
bonds (distance) P-C4' energy: -63.946
flat angles C4'-P-C4' energy: -80.692
flat angles P-C4'-P energy: -39.504
tors. eta vs tors. theta energy: -51.722
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: 88
Temperature: 1.150000
Total energy: -939.584301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -939.584301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -939.584301 (E_RNA)
where:
Base-Base interactions energy: -629.569
where: short stacking energy: -281.902
Base-Backbone interact. energy: -1.109
local terms energy: -308.906130
where:
bonds (distance) C4'-P energy: -63.909
bonds (distance) P-C4' energy: -58.501
flat angles C4'-P-C4' energy: -73.923
flat angles P-C4'-P energy: -44.422
tors. eta vs tors. theta energy: -68.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 88
Temperature: 1.200000
Total energy: -882.658519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -882.658519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -882.658519 (E_RNA)
where:
Base-Base interactions energy: -575.126
where: short stacking energy: -238.522
Base-Backbone interact. energy: -0.480
local terms energy: -307.051904
where:
bonds (distance) C4'-P energy: -61.966
bonds (distance) P-C4' energy: -59.882
flat angles C4'-P-C4' energy: -76.434
flat angles P-C4'-P energy: -45.401
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: 9
=====================================
Write number: 88
Temperature: 1.250000
Total energy: -721.710825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -721.710825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -721.710825 (E_RNA)
where:
Base-Base interactions energy: -420.057
where: short stacking energy: -219.600
Base-Backbone interact. energy: -0.045
local terms energy: -301.608450
where:
bonds (distance) C4'-P energy: -56.892
bonds (distance) P-C4' energy: -69.796
flat angles C4'-P-C4' energy: -79.201
flat angles P-C4'-P energy: -49.889
tors. eta vs tors. theta energy: -45.831
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: 7
=====================================
Write number: 88
Temperature: 1.300000
Total energy: -589.467118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -589.467118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -589.467118 (E_RNA)
where:
Base-Base interactions energy: -346.643
where: short stacking energy: -154.011
Base-Backbone interact. energy: 1.290
local terms energy: -244.113948
where:
bonds (distance) C4'-P energy: -63.677
bonds (distance) P-C4' energy: -60.445
flat angles C4'-P-C4' energy: -73.952
flat angles P-C4'-P energy: -23.353
tors. eta vs tors. theta energy: -22.688
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: 4
=====================================
Write number: 88
Temperature: 1.350000
Total energy: -362.600788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.600788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.600788 (E_RNA)
where:
Base-Base interactions energy: -170.319
where: short stacking energy: -108.942
Base-Backbone interact. energy: 3.267
local terms energy: -195.548881
where:
bonds (distance) C4'-P energy: -51.725
bonds (distance) P-C4' energy: -62.725
flat angles C4'-P-C4' energy: -59.149
flat angles P-C4'-P energy: -26.716
tors. eta vs tors. theta energy: 4.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 89
Temperature: 0.900000
Total energy: -1301.524854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1301.524854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1301.524854 (E_RNA)
where:
Base-Base interactions energy: -874.611
where: short stacking energy: -379.411
Base-Backbone interact. energy: -2.028
local terms energy: -424.885525
where:
bonds (distance) C4'-P energy: -91.852
bonds (distance) P-C4' energy: -81.844
flat angles C4'-P-C4' energy: -84.107
flat angles P-C4'-P energy: -64.463
tors. eta vs tors. theta energy: -102.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 89
Temperature: 0.950000
Total energy: -1290.399436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1290.399436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1290.399436 (E_RNA)
where:
Base-Base interactions energy: -884.400
where: short stacking energy: -372.591
Base-Backbone interact. energy: -2.511
local terms energy: -403.487809
where:
bonds (distance) C4'-P energy: -70.948
bonds (distance) P-C4' energy: -69.122
flat angles C4'-P-C4' energy: -92.359
flat angles P-C4'-P energy: -58.307
tors. eta vs tors. theta energy: -112.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 89
Temperature: 1.000000
Total energy: -1198.804352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1198.804352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1198.804352 (E_RNA)
where:
Base-Base interactions energy: -819.390
where: short stacking energy: -341.339
Base-Backbone interact. energy: -5.227
local terms energy: -374.187430
where:
bonds (distance) C4'-P energy: -66.448
bonds (distance) P-C4' energy: -80.556
flat angles C4'-P-C4' energy: -81.887
flat angles P-C4'-P energy: -51.711
tors. eta vs tors. theta energy: -93.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 89
Temperature: 1.050000
Total energy: -1144.341192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1144.341192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1144.341192 (E_RNA)
where:
Base-Base interactions energy: -793.971
where: short stacking energy: -348.506
Base-Backbone interact. energy: 1.374
local terms energy: -351.744097
where:
bonds (distance) C4'-P energy: -63.033
bonds (distance) P-C4' energy: -67.699
flat angles C4'-P-C4' energy: -80.955
flat angles P-C4'-P energy: -49.169
tors. eta vs tors. theta energy: -90.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 89
Temperature: 1.100000
Total energy: -920.147195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -920.147195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -920.147195 (E_RNA)
where:
Base-Base interactions energy: -610.235
where: short stacking energy: -277.666
Base-Backbone interact. energy: -0.710
local terms energy: -309.201971
where:
bonds (distance) C4'-P energy: -63.006
bonds (distance) P-C4' energy: -71.347
flat angles C4'-P-C4' energy: -69.970
flat angles P-C4'-P energy: -47.765
tors. eta vs tors. theta energy: -57.113
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: 6, replica: 10
=====================================
Write number: 89
Temperature: 1.150000
Total energy: -927.995837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -927.995837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -927.995837 (E_RNA)
where:
Base-Base interactions energy: -599.383
where: short stacking energy: -269.906
Base-Backbone interact. energy: -1.942
local terms energy: -326.671371
where:
bonds (distance) C4'-P energy: -69.017
bonds (distance) P-C4' energy: -73.824
flat angles C4'-P-C4' energy: -73.119
flat angles P-C4'-P energy: -38.588
tors. eta vs tors. theta energy: -72.124
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: 5
=====================================
Write number: 89
Temperature: 1.200000
Total energy: -907.388798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -907.388798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -907.388798 (E_RNA)
where:
Base-Base interactions energy: -617.156
where: short stacking energy: -261.433
Base-Backbone interact. energy: -1.541
local terms energy: -288.691759
where:
bonds (distance) C4'-P energy: -63.534
bonds (distance) P-C4' energy: -68.449
flat angles C4'-P-C4' energy: -67.761
flat angles P-C4'-P energy: -37.591
tors. eta vs tors. theta energy: -51.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 89
Temperature: 1.250000
Total energy: -690.023812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -690.023812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -690.023812 (E_RNA)
where:
Base-Base interactions energy: -421.190
where: short stacking energy: -198.354
Base-Backbone interact. energy: 0.499
local terms energy: -269.332370
where:
bonds (distance) C4'-P energy: -64.923
bonds (distance) P-C4' energy: -66.349
flat angles C4'-P-C4' energy: -62.142
flat angles P-C4'-P energy: -35.951
tors. eta vs tors. theta energy: -39.968
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: 7
=====================================
Write number: 89
Temperature: 1.300000
Total energy: -575.915534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -575.915534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -575.915534 (E_RNA)
where:
Base-Base interactions energy: -331.681
where: short stacking energy: -163.060
Base-Backbone interact. energy: -1.584
local terms energy: -242.650814
where:
bonds (distance) C4'-P energy: -70.030
bonds (distance) P-C4' energy: -72.825
flat angles C4'-P-C4' energy: -53.488
flat angles P-C4'-P energy: -28.770
tors. eta vs tors. theta energy: -17.539
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: 4
=====================================
Write number: 89
Temperature: 1.350000
Total energy: -344.572592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.572592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.572592 (E_RNA)
where:
Base-Base interactions energy: -142.452
where: short stacking energy: -111.026
Base-Backbone interact. energy: -0.484
local terms energy: -201.636601
where:
bonds (distance) C4'-P energy: -60.635
bonds (distance) P-C4' energy: -70.068
flat angles C4'-P-C4' energy: -51.415
flat angles P-C4'-P energy: -22.775
tors. eta vs tors. theta energy: 3.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 90
Temperature: 0.900000
Total energy: -1326.380007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1326.380007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1326.380007 (E_RNA)
where:
Base-Base interactions energy: -926.768
where: short stacking energy: -381.725
Base-Backbone interact. energy: -1.507
local terms energy: -398.105328
where:
bonds (distance) C4'-P energy: -71.300
bonds (distance) P-C4' energy: -72.460
flat angles C4'-P-C4' energy: -84.642
flat angles P-C4'-P energy: -56.477
tors. eta vs tors. theta energy: -113.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 90
Temperature: 0.950000
Total energy: -1266.776371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1266.776371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1266.776371 (E_RNA)
where:
Base-Base interactions energy: -878.845
where: short stacking energy: -351.405
Base-Backbone interact. energy: 1.648
local terms energy: -389.579519
where:
bonds (distance) C4'-P energy: -74.245
bonds (distance) P-C4' energy: -74.824
flat angles C4'-P-C4' energy: -85.238
flat angles P-C4'-P energy: -52.357
tors. eta vs tors. theta energy: -102.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 90
Temperature: 1.000000
Total energy: -1187.931092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1187.931092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1187.931092 (E_RNA)
where:
Base-Base interactions energy: -811.012
where: short stacking energy: -363.565
Base-Backbone interact. energy: 1.986
local terms energy: -378.904751
where:
bonds (distance) C4'-P energy: -70.024
bonds (distance) P-C4' energy: -71.270
flat angles C4'-P-C4' energy: -76.636
flat angles P-C4'-P energy: -61.919
tors. eta vs tors. theta energy: -99.055
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: 4, replica: 1
=====================================
Write number: 90
Temperature: 1.050000
Total energy: -1115.121884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1115.121884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1115.121884 (E_RNA)
where:
Base-Base interactions energy: -772.017
where: short stacking energy: -324.316
Base-Backbone interact. energy: -0.681
local terms energy: -342.423535
where:
bonds (distance) C4'-P energy: -68.713
bonds (distance) P-C4' energy: -80.796
flat angles C4'-P-C4' energy: -64.654
flat angles P-C4'-P energy: -51.678
tors. eta vs tors. theta energy: -76.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 90
Temperature: 1.100000
Total energy: -996.842651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -996.842651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -996.842651 (E_RNA)
where:
Base-Base interactions energy: -667.892
where: short stacking energy: -306.022
Base-Backbone interact. energy: -1.169
local terms energy: -327.781208
where:
bonds (distance) C4'-P energy: -58.675
bonds (distance) P-C4' energy: -75.253
flat angles C4'-P-C4' energy: -77.992
flat angles P-C4'-P energy: -37.211
tors. eta vs tors. theta energy: -78.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 90
Temperature: 1.150000
Total energy: -892.595239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -892.595239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -892.595239 (E_RNA)
where:
Base-Base interactions energy: -575.184
where: short stacking energy: -260.543
Base-Backbone interact. energy: -2.064
local terms energy: -315.347890
where:
bonds (distance) C4'-P energy: -64.834
bonds (distance) P-C4' energy: -73.628
flat angles C4'-P-C4' energy: -69.644
flat angles P-C4'-P energy: -55.229
tors. eta vs tors. theta energy: -52.012
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: 5
=====================================
Write number: 90
Temperature: 1.200000
Total energy: -886.780206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -886.780206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -886.780206 (E_RNA)
where:
Base-Base interactions energy: -584.179
where: short stacking energy: -244.274
Base-Backbone interact. energy: -1.427
local terms energy: -301.174833
where:
bonds (distance) C4'-P energy: -56.085
bonds (distance) P-C4' energy: -69.584
flat angles C4'-P-C4' energy: -72.872
flat angles P-C4'-P energy: -50.600
tors. eta vs tors. theta energy: -52.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 90
Temperature: 1.250000
Total energy: -662.557815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -662.557815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -662.557815 (E_RNA)
where:
Base-Base interactions energy: -393.713
where: short stacking energy: -187.171
Base-Backbone interact. energy: -0.859
local terms energy: -267.985708
where:
bonds (distance) C4'-P energy: -56.403
bonds (distance) P-C4' energy: -79.072
flat angles C4'-P-C4' energy: -55.845
flat angles P-C4'-P energy: -44.274
tors. eta vs tors. theta energy: -32.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 90
Temperature: 1.300000
Total energy: -546.732265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.732265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.732265 (E_RNA)
where:
Base-Base interactions energy: -321.367
where: short stacking energy: -162.939
Base-Backbone interact. energy: -0.380
local terms energy: -224.985269
where:
bonds (distance) C4'-P energy: -49.173
bonds (distance) P-C4' energy: -66.944
flat angles C4'-P-C4' energy: -62.594
flat angles P-C4'-P energy: -27.351
tors. eta vs tors. theta energy: -18.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 90
Temperature: 1.350000
Total energy: -366.622359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.622359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.622359 (E_RNA)
where:
Base-Base interactions energy: -165.919
where: short stacking energy: -106.074
Base-Backbone interact. energy: 0.265
local terms energy: -200.968136
where:
bonds (distance) C4'-P energy: -63.909
bonds (distance) P-C4' energy: -55.543
flat angles C4'-P-C4' energy: -51.429
flat angles P-C4'-P energy: -29.636
tors. eta vs tors. theta energy: -0.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 91
Temperature: 0.900000
Total energy: -1318.055149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1318.055149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1318.055149 (E_RNA)
where:
Base-Base interactions energy: -925.769
where: short stacking energy: -371.104
Base-Backbone interact. energy: -2.525
local terms energy: -389.761149
where:
bonds (distance) C4'-P energy: -66.440
bonds (distance) P-C4' energy: -75.849
flat angles C4'-P-C4' energy: -72.818
flat angles P-C4'-P energy: -60.619
tors. eta vs tors. theta energy: -114.035
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: 3
=====================================
Write number: 91
Temperature: 0.950000
Total energy: -1295.072208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1295.072208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1295.072208 (E_RNA)
where:
Base-Base interactions energy: -891.590
where: short stacking energy: -365.074
Base-Backbone interact. energy: -2.563
local terms energy: -400.919328
where:
bonds (distance) C4'-P energy: -88.027
bonds (distance) P-C4' energy: -79.146
flat angles C4'-P-C4' energy: -85.941
flat angles P-C4'-P energy: -43.460
tors. eta vs tors. theta energy: -104.345
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: 2
=====================================
Write number: 91
Temperature: 1.000000
Total energy: -1212.592988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1212.592988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1212.592988 (E_RNA)
where:
Base-Base interactions energy: -844.536
where: short stacking energy: -354.667
Base-Backbone interact. energy: -2.449
local terms energy: -366.082506
where:
bonds (distance) C4'-P energy: -66.971
bonds (distance) P-C4' energy: -76.455
flat angles C4'-P-C4' energy: -79.854
flat angles P-C4'-P energy: -50.002
tors. eta vs tors. theta energy: -92.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.474 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 91
Temperature: 1.050000
Total energy: -1139.337792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1139.337792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1139.337792 (E_RNA)
where:
Base-Base interactions energy: -790.431
where: short stacking energy: -342.283
Base-Backbone interact. energy: -0.791
local terms energy: -348.115142
where:
bonds (distance) C4'-P energy: -74.312
bonds (distance) P-C4' energy: -69.085
flat angles C4'-P-C4' energy: -76.189
flat angles P-C4'-P energy: -40.591
tors. eta vs tors. theta energy: -87.938
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: 10
=====================================
Write number: 91
Temperature: 1.100000
Total energy: -1075.105485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1075.105485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1075.105485 (E_RNA)
where:
Base-Base interactions energy: -725.040
where: short stacking energy: -332.243
Base-Backbone interact. energy: 1.084
local terms energy: -351.149900
where:
bonds (distance) C4'-P energy: -60.400
bonds (distance) P-C4' energy: -71.126
flat angles C4'-P-C4' energy: -83.860
flat angles P-C4'-P energy: -47.959
tors. eta vs tors. theta energy: -87.805
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: 5
=====================================
Write number: 91
Temperature: 1.150000
Total energy: -952.759329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -952.759329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -952.759329 (E_RNA)
where:
Base-Base interactions energy: -621.516
where: short stacking energy: -264.040
Base-Backbone interact. energy: 0.221
local terms energy: -331.464580
where:
bonds (distance) C4'-P energy: -69.474
bonds (distance) P-C4' energy: -77.632
flat angles C4'-P-C4' energy: -62.829
flat angles P-C4'-P energy: -51.975
tors. eta vs tors. theta energy: -69.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 91
Temperature: 1.200000
Total energy: -844.198924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -844.198924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -844.198924 (E_RNA)
where:
Base-Base interactions energy: -556.453
where: short stacking energy: -245.637
Base-Backbone interact. energy: -2.272
local terms energy: -285.473931
where:
bonds (distance) C4'-P energy: -59.396
bonds (distance) P-C4' energy: -62.294
flat angles C4'-P-C4' energy: -69.910
flat angles P-C4'-P energy: -51.008
tors. eta vs tors. theta energy: -42.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 91
Temperature: 1.250000
Total energy: -684.728883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -684.728883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -684.728883 (E_RNA)
where:
Base-Base interactions energy: -408.726
where: short stacking energy: -189.551
Base-Backbone interact. energy: -0.965
local terms energy: -275.037446
where:
bonds (distance) C4'-P energy: -65.330
bonds (distance) P-C4' energy: -72.663
flat angles C4'-P-C4' energy: -61.456
flat angles P-C4'-P energy: -36.043
tors. eta vs tors. theta energy: -39.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 91
Temperature: 1.300000
Total energy: -514.759045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.759045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.759045 (E_RNA)
where:
Base-Base interactions energy: -264.707
where: short stacking energy: -129.119
Base-Backbone interact. energy: 3.162
local terms energy: -253.214194
where:
bonds (distance) C4'-P energy: -60.330
bonds (distance) P-C4' energy: -73.557
flat angles C4'-P-C4' energy: -72.760
flat angles P-C4'-P energy: -38.680
tors. eta vs tors. theta energy: -7.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 91
Temperature: 1.350000
Total energy: -394.595135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.595135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -394.595135 (E_RNA)
where:
Base-Base interactions energy: -195.131
where: short stacking energy: -120.652
Base-Backbone interact. energy: 4.033
local terms energy: -203.497476
where:
bonds (distance) C4'-P energy: -61.612
bonds (distance) P-C4' energy: -68.177
flat angles C4'-P-C4' energy: -41.052
flat angles P-C4'-P energy: -26.575
tors. eta vs tors. theta energy: -6.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 92
Temperature: 0.900000
Total energy: -1316.622703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1316.622703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1316.622703 (E_RNA)
where:
Base-Base interactions energy: -912.166
where: short stacking energy: -398.003
Base-Backbone interact. energy: -2.198
local terms energy: -402.258209
where:
bonds (distance) C4'-P energy: -77.255
bonds (distance) P-C4' energy: -77.035
flat angles C4'-P-C4' energy: -85.061
flat angles P-C4'-P energy: -54.635
tors. eta vs tors. theta energy: -108.272
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: 8
=====================================
Write number: 92
Temperature: 0.950000
Total energy: -1296.076097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1296.076097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1296.076097 (E_RNA)
where:
Base-Base interactions energy: -885.673
where: short stacking energy: -358.068
Base-Backbone interact. energy: -1.861
local terms energy: -408.541585
where:
bonds (distance) C4'-P energy: -79.993
bonds (distance) P-C4' energy: -79.132
flat angles C4'-P-C4' energy: -84.785
flat angles P-C4'-P energy: -49.717
tors. eta vs tors. theta energy: -114.913
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: 1
=====================================
Write number: 92
Temperature: 1.000000
Total energy: -1178.992466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1178.992466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1178.992466 (E_RNA)
where:
Base-Base interactions energy: -797.423
where: short stacking energy: -343.012
Base-Backbone interact. energy: -0.812
local terms energy: -380.757045
where:
bonds (distance) C4'-P energy: -75.582
bonds (distance) P-C4' energy: -74.580
flat angles C4'-P-C4' energy: -84.640
flat angles P-C4'-P energy: -52.256
tors. eta vs tors. theta energy: -93.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 92
Temperature: 1.050000
Total energy: -1187.549685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1187.549685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1187.549685 (E_RNA)
where:
Base-Base interactions energy: -790.720
where: short stacking energy: -335.622
Base-Backbone interact. energy: -3.839
local terms energy: -393.067577
where:
bonds (distance) C4'-P energy: -77.307
bonds (distance) P-C4' energy: -72.707
flat angles C4'-P-C4' energy: -85.011
flat angles P-C4'-P energy: -62.287
tors. eta vs tors. theta energy: -95.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.077 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 92
Temperature: 1.100000
Total energy: -1045.857495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1045.857495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1045.857495 (E_RNA)
where:
Base-Base interactions energy: -701.067
where: short stacking energy: -329.432
Base-Backbone interact. energy: 0.063
local terms energy: -344.852993
where:
bonds (distance) C4'-P energy: -63.506
bonds (distance) P-C4' energy: -63.954
flat angles C4'-P-C4' energy: -86.522
flat angles P-C4'-P energy: -46.960
tors. eta vs tors. theta energy: -83.911
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: 6, replica: 5
=====================================
Write number: 92
Temperature: 1.150000
Total energy: -962.654751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -962.654751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -962.654751 (E_RNA)
where:
Base-Base interactions energy: -666.382
where: short stacking energy: -253.838
Base-Backbone interact. energy: 2.006
local terms energy: -298.277826
where:
bonds (distance) C4'-P energy: -64.549
bonds (distance) P-C4' energy: -67.387
flat angles C4'-P-C4' energy: -60.665
flat angles P-C4'-P energy: -47.745
tors. eta vs tors. theta energy: -57.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 92
Temperature: 1.200000
Total energy: -887.489759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -887.489759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -887.489759 (E_RNA)
where:
Base-Base interactions energy: -581.211
where: short stacking energy: -240.730
Base-Backbone interact. energy: -0.123
local terms energy: -306.156170
where:
bonds (distance) C4'-P energy: -58.616
bonds (distance) P-C4' energy: -80.867
flat angles C4'-P-C4' energy: -71.304
flat angles P-C4'-P energy: -42.414
tors. eta vs tors. theta energy: -52.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 92
Temperature: 1.250000
Total energy: -702.360904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -702.360904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -702.360904 (E_RNA)
where:
Base-Base interactions energy: -411.445
where: short stacking energy: -192.858
Base-Backbone interact. energy: -1.251
local terms energy: -289.665275
where:
bonds (distance) C4'-P energy: -66.392
bonds (distance) P-C4' energy: -67.059
flat angles C4'-P-C4' energy: -70.057
flat angles P-C4'-P energy: -45.135
tors. eta vs tors. theta energy: -41.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 92
Temperature: 1.300000
Total energy: -449.712482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.712482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.712482 (E_RNA)
where:
Base-Base interactions energy: -219.708
where: short stacking energy: -136.117
Base-Backbone interact. energy: -2.446
local terms energy: -227.558558
where:
bonds (distance) C4'-P energy: -62.800
bonds (distance) P-C4' energy: -61.218
flat angles C4'-P-C4' energy: -53.497
flat angles P-C4'-P energy: -41.808
tors. eta vs tors. theta energy: -8.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 92
Temperature: 1.350000
Total energy: -488.546437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.546437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.546437 (E_RNA)
where:
Base-Base interactions energy: -265.812
where: short stacking energy: -133.622
Base-Backbone interact. energy: 1.073
local terms energy: -223.807079
where:
bonds (distance) C4'-P energy: -76.849
bonds (distance) P-C4' energy: -52.341
flat angles C4'-P-C4' energy: -47.809
flat angles P-C4'-P energy: -36.851
tors. eta vs tors. theta energy: -9.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 93
Temperature: 0.900000
Total energy: -1321.646402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1321.646402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1321.646402 (E_RNA)
where:
Base-Base interactions energy: -921.614
where: short stacking energy: -379.610
Base-Backbone interact. energy: -0.251
local terms energy: -399.781253
where:
bonds (distance) C4'-P energy: -72.182
bonds (distance) P-C4' energy: -80.266
flat angles C4'-P-C4' energy: -85.965
flat angles P-C4'-P energy: -56.731
tors. eta vs tors. theta energy: -104.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 93
Temperature: 0.950000
Total energy: -1313.852879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1313.852879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1313.852879 (E_RNA)
where:
Base-Base interactions energy: -923.706
where: short stacking energy: -367.853
Base-Backbone interact. energy: -1.378
local terms energy: -388.769092
where:
bonds (distance) C4'-P energy: -68.045
bonds (distance) P-C4' energy: -70.437
flat angles C4'-P-C4' energy: -84.997
flat angles P-C4'-P energy: -56.957
tors. eta vs tors. theta energy: -108.333
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: 3, replica: 1
=====================================
Write number: 93
Temperature: 1.000000
Total energy: -1217.719966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1217.719966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1217.719966 (E_RNA)
where:
Base-Base interactions energy: -829.757
where: short stacking energy: -357.664
Base-Backbone interact. energy: -1.881
local terms energy: -386.081562
where:
bonds (distance) C4'-P energy: -70.268
bonds (distance) P-C4' energy: -74.378
flat angles C4'-P-C4' energy: -84.307
flat angles P-C4'-P energy: -61.196
tors. eta vs tors. theta energy: -95.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 93
Temperature: 1.050000
Total energy: -1209.898900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1209.898900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1209.898900 (E_RNA)
where:
Base-Base interactions energy: -830.250
where: short stacking energy: -342.150
Base-Backbone interact. energy: -1.657
local terms energy: -378.467905
where:
bonds (distance) C4'-P energy: -66.732
bonds (distance) P-C4' energy: -71.046
flat angles C4'-P-C4' energy: -92.601
flat angles P-C4'-P energy: -49.475
tors. eta vs tors. theta energy: -98.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.476 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 93
Temperature: 1.100000
Total energy: -1089.900480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1089.900480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1089.900480 (E_RNA)
where:
Base-Base interactions energy: -730.062
where: short stacking energy: -329.130
Base-Backbone interact. energy: 1.947
local terms energy: -361.785515
where:
bonds (distance) C4'-P energy: -67.424
bonds (distance) P-C4' energy: -68.339
flat angles C4'-P-C4' energy: -73.688
flat angles P-C4'-P energy: -51.469
tors. eta vs tors. theta energy: -100.865
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: 6, replica: 5
=====================================
Write number: 93
Temperature: 1.150000
Total energy: -918.928999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -918.928999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -918.928999 (E_RNA)
where:
Base-Base interactions energy: -594.741
where: short stacking energy: -254.880
Base-Backbone interact. energy: -1.760
local terms energy: -322.427439
where:
bonds (distance) C4'-P energy: -64.207
bonds (distance) P-C4' energy: -66.921
flat angles C4'-P-C4' energy: -85.838
flat angles P-C4'-P energy: -48.461
tors. eta vs tors. theta energy: -57.001
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: 6
=====================================
Write number: 93
Temperature: 1.200000
Total energy: -837.182422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -837.182422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -837.182422 (E_RNA)
where:
Base-Base interactions energy: -541.582
where: short stacking energy: -230.369
Base-Backbone interact. energy: 0.643
local terms energy: -296.243503
where:
bonds (distance) C4'-P energy: -52.310
bonds (distance) P-C4' energy: -78.566
flat angles C4'-P-C4' energy: -77.893
flat angles P-C4'-P energy: -42.961
tors. eta vs tors. theta energy: -44.513
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: 9
=====================================
Write number: 93
Temperature: 1.250000
Total energy: -682.473692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -682.473692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -682.473692 (E_RNA)
where:
Base-Base interactions energy: -408.024
where: short stacking energy: -193.885
Base-Backbone interact. energy: 0.805
local terms energy: -275.255514
where:
bonds (distance) C4'-P energy: -70.722
bonds (distance) P-C4' energy: -70.689
flat angles C4'-P-C4' energy: -63.538
flat angles P-C4'-P energy: -35.916
tors. eta vs tors. theta energy: -34.392
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: 4
=====================================
Write number: 93
Temperature: 1.300000
Total energy: -414.932142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.932142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.932142 (E_RNA)
where:
Base-Base interactions energy: -191.066
where: short stacking energy: -125.981
Base-Backbone interact. energy: 6.077
local terms energy: -229.942652
where:
bonds (distance) C4'-P energy: -64.217
bonds (distance) P-C4' energy: -71.276
flat angles C4'-P-C4' energy: -51.168
flat angles P-C4'-P energy: -41.309
tors. eta vs tors. theta energy: -1.972
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: 7
=====================================
Write number: 93
Temperature: 1.350000
Total energy: -435.582665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.582665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.582665 (E_RNA)
where:
Base-Base interactions energy: -213.538
where: short stacking energy: -124.101
Base-Backbone interact. energy: 1.025
local terms energy: -223.070184
where:
bonds (distance) C4'-P energy: -62.132
bonds (distance) P-C4' energy: -65.200
flat angles C4'-P-C4' energy: -57.806
flat angles P-C4'-P energy: -36.273
tors. eta vs tors. theta energy: -1.658
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: 8
=====================================
Write number: 94
Temperature: 0.900000
Total energy: -1329.707069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1329.707069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1329.707069 (E_RNA)
where:
Base-Base interactions energy: -927.471
where: short stacking energy: -378.375
Base-Backbone interact. energy: -2.842
local terms energy: -399.394421
where:
bonds (distance) C4'-P energy: -77.770
bonds (distance) P-C4' energy: -79.235
flat angles C4'-P-C4' energy: -80.543
flat angles P-C4'-P energy: -53.929
tors. eta vs tors. theta energy: -107.918
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: 94
Temperature: 0.950000
Total energy: -1287.450369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1287.450369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1287.450369 (E_RNA)
where:
Base-Base interactions energy: -895.926
where: short stacking energy: -358.125
Base-Backbone interact. energy: -1.620
local terms energy: -389.903485
where:
bonds (distance) C4'-P energy: -75.705
bonds (distance) P-C4' energy: -78.104
flat angles C4'-P-C4' energy: -80.657
flat angles P-C4'-P energy: -52.117
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: 2
=====================================
Write number: 94
Temperature: 1.000000
Total energy: -1201.771564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1201.771564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1201.771564 (E_RNA)
where:
Base-Base interactions energy: -825.256
where: short stacking energy: -346.862
Base-Backbone interact. energy: -3.222
local terms energy: -373.293083
where:
bonds (distance) C4'-P energy: -76.340
bonds (distance) P-C4' energy: -69.600
flat angles C4'-P-C4' energy: -79.723
flat angles P-C4'-P energy: -53.425
tors. eta vs tors. theta energy: -94.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 94
Temperature: 1.050000
Total energy: -1196.597129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1196.597129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1196.597129 (E_RNA)
where:
Base-Base interactions energy: -824.853
where: short stacking energy: -343.569
Base-Backbone interact. energy: -2.619
local terms energy: -369.125206
where:
bonds (distance) C4'-P energy: -70.179
bonds (distance) P-C4' energy: -70.849
flat angles C4'-P-C4' energy: -77.631
flat angles P-C4'-P energy: -48.803
tors. eta vs tors. theta energy: -101.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 94
Temperature: 1.100000
Total energy: -1082.693007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1082.693007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1082.693007 (E_RNA)
where:
Base-Base interactions energy: -720.934
where: short stacking energy: -307.649
Base-Backbone interact. energy: -1.163
local terms energy: -360.595037
where:
bonds (distance) C4'-P energy: -67.679
bonds (distance) P-C4' energy: -76.500
flat angles C4'-P-C4' energy: -77.652
flat angles P-C4'-P energy: -53.409
tors. eta vs tors. theta energy: -85.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 94
Temperature: 1.150000
Total energy: -966.289600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -966.289600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -966.289600 (E_RNA)
where:
Base-Base interactions energy: -653.420
where: short stacking energy: -289.769
Base-Backbone interact. energy: -1.704
local terms energy: -311.166298
where:
bonds (distance) C4'-P energy: -73.463
bonds (distance) P-C4' energy: -75.367
flat angles C4'-P-C4' energy: -56.372
flat angles P-C4'-P energy: -40.521
tors. eta vs tors. theta energy: -65.443
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: 7, replica: 9
=====================================
Write number: 94
Temperature: 1.200000
Total energy: -712.276475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -712.276475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -712.276475 (E_RNA)
where:
Base-Base interactions energy: -443.129
where: short stacking energy: -199.613
Base-Backbone interact. energy: 0.624
local terms energy: -269.771309
where:
bonds (distance) C4'-P energy: -59.618
bonds (distance) P-C4' energy: -62.957
flat angles C4'-P-C4' energy: -67.770
flat angles P-C4'-P energy: -46.626
tors. eta vs tors. theta energy: -32.801
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: 8, replica: 6
=====================================
Write number: 94
Temperature: 1.250000
Total energy: -780.129325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -780.129325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -780.129325 (E_RNA)
where:
Base-Base interactions energy: -504.383
where: short stacking energy: -212.716
Base-Backbone interact. energy: -3.487
local terms energy: -272.340310
where:
bonds (distance) C4'-P energy: -54.258
bonds (distance) P-C4' energy: -68.362
flat angles C4'-P-C4' energy: -62.450
flat angles P-C4'-P energy: -42.065
tors. eta vs tors. theta energy: -45.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.081 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 94
Temperature: 1.300000
Total energy: -480.788635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.788635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.788635 (E_RNA)
where:
Base-Base interactions energy: -248.941
where: short stacking energy: -137.818
Base-Backbone interact. energy: 3.004
local terms energy: -234.851606
where:
bonds (distance) C4'-P energy: -62.480
bonds (distance) P-C4' energy: -67.197
flat angles C4'-P-C4' energy: -57.108
flat angles P-C4'-P energy: -34.029
tors. eta vs tors. theta energy: -14.037
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: 4
=====================================
Write number: 94
Temperature: 1.350000
Total energy: -443.913086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.913086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.913086 (E_RNA)
where:
Base-Base interactions energy: -230.014
where: short stacking energy: -129.676
Base-Backbone interact. energy: -3.314
local terms energy: -210.585241
where:
bonds (distance) C4'-P energy: -59.554
bonds (distance) P-C4' energy: -67.472
flat angles C4'-P-C4' energy: -44.824
flat angles P-C4'-P energy: -34.768
tors. eta vs tors. theta energy: -3.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 95
Temperature: 0.900000
Total energy: -1327.313901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1327.313901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1327.313901 (E_RNA)
where:
Base-Base interactions energy: -914.173
where: short stacking energy: -377.827
Base-Backbone interact. energy: -2.177
local terms energy: -410.964238
where:
bonds (distance) C4'-P energy: -76.643
bonds (distance) P-C4' energy: -72.665
flat angles C4'-P-C4' energy: -87.438
flat angles P-C4'-P energy: -62.828
tors. eta vs tors. theta energy: -111.390
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: 95
Temperature: 0.950000
Total energy: -1286.544317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1286.544317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1286.544317 (E_RNA)
where:
Base-Base interactions energy: -885.875
where: short stacking energy: -382.292
Base-Backbone interact. energy: 6.877
local terms energy: -407.547283
where:
bonds (distance) C4'-P energy: -67.860
bonds (distance) P-C4' energy: -79.781
flat angles C4'-P-C4' energy: -92.452
flat angles P-C4'-P energy: -59.630
tors. eta vs tors. theta energy: -107.823
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: 2
=====================================
Write number: 95
Temperature: 1.000000
Total energy: -1202.090413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1202.090413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1202.090413 (E_RNA)
where:
Base-Base interactions energy: -812.960
where: short stacking energy: -333.460
Base-Backbone interact. energy: 0.323
local terms energy: -389.453590
where:
bonds (distance) C4'-P energy: -78.459
bonds (distance) P-C4' energy: -80.951
flat angles C4'-P-C4' energy: -82.604
flat angles P-C4'-P energy: -53.304
tors. eta vs tors. theta energy: -94.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 95
Temperature: 1.050000
Total energy: -1166.182481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1166.182481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1166.182481 (E_RNA)
where:
Base-Base interactions energy: -787.466
where: short stacking energy: -324.473
Base-Backbone interact. energy: -2.694
local terms energy: -376.022340
where:
bonds (distance) C4'-P energy: -71.642
bonds (distance) P-C4' energy: -74.873
flat angles C4'-P-C4' energy: -81.275
flat angles P-C4'-P energy: -56.202
tors. eta vs tors. theta energy: -92.029
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: 10
=====================================
Write number: 95
Temperature: 1.100000
Total energy: -1082.053977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1082.053977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1082.053977 (E_RNA)
where:
Base-Base interactions energy: -730.622
where: short stacking energy: -312.205
Base-Backbone interact. energy: -2.374
local terms energy: -349.057661
where:
bonds (distance) C4'-P energy: -66.687
bonds (distance) P-C4' energy: -78.364
flat angles C4'-P-C4' energy: -81.721
flat angles P-C4'-P energy: -41.655
tors. eta vs tors. theta energy: -80.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 95
Temperature: 1.150000
Total energy: -915.391412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -915.391412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -915.391412 (E_RNA)
where:
Base-Base interactions energy: -597.553
where: short stacking energy: -249.242
Base-Backbone interact. energy: -2.149
local terms energy: -315.689222
where:
bonds (distance) C4'-P energy: -69.989
bonds (distance) P-C4' energy: -76.032
flat angles C4'-P-C4' energy: -71.821
flat angles P-C4'-P energy: -42.132
tors. eta vs tors. theta energy: -55.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 95
Temperature: 1.200000
Total energy: -707.941497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -707.941497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -707.941497 (E_RNA)
where:
Base-Base interactions energy: -440.226
where: short stacking energy: -209.469
Base-Backbone interact. energy: -0.654
local terms energy: -267.207550
where:
bonds (distance) C4'-P energy: -57.219
bonds (distance) P-C4' energy: -57.082
flat angles C4'-P-C4' energy: -68.047
flat angles P-C4'-P energy: -46.199
tors. eta vs tors. theta energy: -38.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.146 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 95
Temperature: 1.250000
Total energy: -719.717061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -719.717061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -719.717061 (E_RNA)
where:
Base-Base interactions energy: -463.859
where: short stacking energy: -180.545
Base-Backbone interact. energy: -1.555
local terms energy: -254.303588
where:
bonds (distance) C4'-P energy: -68.990
bonds (distance) P-C4' energy: -69.629
flat angles C4'-P-C4' energy: -51.406
flat angles P-C4'-P energy: -43.935
tors. eta vs tors. theta energy: -20.344
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: 7
=====================================
Write number: 95
Temperature: 1.300000
Total energy: -474.942300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.942300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.942300 (E_RNA)
where:
Base-Base interactions energy: -239.218
where: short stacking energy: -135.922
Base-Backbone interact. energy: -2.694
local terms energy: -233.034292
where:
bonds (distance) C4'-P energy: -58.400
bonds (distance) P-C4' energy: -64.436
flat angles C4'-P-C4' energy: -65.851
flat angles P-C4'-P energy: -40.652
tors. eta vs tors. theta energy: -3.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.004 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 95
Temperature: 1.350000
Total energy: -398.778377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.778377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.778377 (E_RNA)
where:
Base-Base interactions energy: -179.895
where: short stacking energy: -108.009
Base-Backbone interact. energy: -1.174
local terms energy: -217.708463
where:
bonds (distance) C4'-P energy: -64.983
bonds (distance) P-C4' energy: -51.448
flat angles C4'-P-C4' energy: -61.939
flat angles P-C4'-P energy: -35.530
tors. eta vs tors. theta energy: -3.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 96
Temperature: 0.900000
Total energy: -1329.445464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1329.445464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1329.445464 (E_RNA)
where:
Base-Base interactions energy: -913.608
where: short stacking energy: -381.075
Base-Backbone interact. energy: -4.385
local terms energy: -411.452267
where:
bonds (distance) C4'-P energy: -78.050
bonds (distance) P-C4' energy: -75.843
flat angles C4'-P-C4' energy: -86.714
flat angles P-C4'-P energy: -59.819
tors. eta vs tors. theta energy: -111.027
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: 2, replica: 3
=====================================
Write number: 96
Temperature: 0.950000
Total energy: -1314.705057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1314.705057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1314.705057 (E_RNA)
where:
Base-Base interactions energy: -896.329
where: short stacking energy: -360.464
Base-Backbone interact. energy: -3.007
local terms energy: -415.368847
where:
bonds (distance) C4'-P energy: -83.841
bonds (distance) P-C4' energy: -75.972
flat angles C4'-P-C4' energy: -89.993
flat angles P-C4'-P energy: -59.665
tors. eta vs tors. theta energy: -105.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 96
Temperature: 1.000000
Total energy: -1229.072050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1229.072050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1229.072050 (E_RNA)
where:
Base-Base interactions energy: -856.351
where: short stacking energy: -369.333
Base-Backbone interact. energy: 0.004
local terms energy: -372.725404
where:
bonds (distance) C4'-P energy: -72.124
bonds (distance) P-C4' energy: -75.763
flat angles C4'-P-C4' energy: -75.046
flat angles P-C4'-P energy: -52.548
tors. eta vs tors. theta energy: -97.244
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: 1
=====================================
Write number: 96
Temperature: 1.050000
Total energy: -1198.466005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1198.466005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1198.466005 (E_RNA)
where:
Base-Base interactions energy: -810.312
where: short stacking energy: -368.238
Base-Backbone interact. energy: -2.076
local terms energy: -386.077661
where:
bonds (distance) C4'-P energy: -60.477
bonds (distance) P-C4' energy: -75.727
flat angles C4'-P-C4' energy: -80.256
flat angles P-C4'-P energy: -62.612
tors. eta vs tors. theta energy: -107.005
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: 5, replica: 10
=====================================
Write number: 96
Temperature: 1.100000
Total energy: -1059.303696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1059.303696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1059.303696 (E_RNA)
where:
Base-Base interactions energy: -731.954
where: short stacking energy: -302.806
Base-Backbone interact. energy: -0.604
local terms energy: -326.745947
where:
bonds (distance) C4'-P energy: -68.111
bonds (distance) P-C4' energy: -70.745
flat angles C4'-P-C4' energy: -69.227
flat angles P-C4'-P energy: -51.444
tors. eta vs tors. theta energy: -67.218
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: 5
=====================================
Write number: 96
Temperature: 1.150000
Total energy: -942.936535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -942.936535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -942.936535 (E_RNA)
where:
Base-Base interactions energy: -634.236
where: short stacking energy: -259.569
Base-Backbone interact. energy: 0.630
local terms energy: -309.330842
where:
bonds (distance) C4'-P energy: -71.010
bonds (distance) P-C4' energy: -68.465
flat angles C4'-P-C4' energy: -80.316
flat angles P-C4'-P energy: -27.894
tors. eta vs tors. theta energy: -61.647
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: 6
=====================================
Write number: 96
Temperature: 1.200000
Total energy: -802.099649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -802.099649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -802.099649 (E_RNA)
where:
Base-Base interactions energy: -520.491
where: short stacking energy: -223.779
Base-Backbone interact. energy: -0.337
local terms energy: -281.347036
where:
bonds (distance) C4'-P energy: -52.432
bonds (distance) P-C4' energy: -67.076
flat angles C4'-P-C4' energy: -75.333
flat angles P-C4'-P energy: -48.011
tors. eta vs tors. theta energy: -38.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.075 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 96
Temperature: 1.250000
Total energy: -712.455098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -712.455098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -712.455098 (E_RNA)
where:
Base-Base interactions energy: -446.404
where: short stacking energy: -221.819
Base-Backbone interact. energy: 0.500
local terms energy: -266.550641
where:
bonds (distance) C4'-P energy: -55.649
bonds (distance) P-C4' energy: -73.141
flat angles C4'-P-C4' energy: -59.591
flat angles P-C4'-P energy: -39.434
tors. eta vs tors. theta energy: -38.736
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: 7
=====================================
Write number: 96
Temperature: 1.300000
Total energy: -443.953765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.953765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.953765 (E_RNA)
where:
Base-Base interactions energy: -209.762
where: short stacking energy: -121.367
Base-Backbone interact. energy: 3.151
local terms energy: -237.342735
where:
bonds (distance) C4'-P energy: -60.110
bonds (distance) P-C4' energy: -81.968
flat angles C4'-P-C4' energy: -52.640
flat angles P-C4'-P energy: -33.739
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: 10, replica: 4
=====================================
Write number: 96
Temperature: 1.350000
Total energy: -421.467479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.467479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.467479 (E_RNA)
where:
Base-Base interactions energy: -212.060
where: short stacking energy: -132.707
Base-Backbone interact. energy: -0.659
local terms energy: -208.748008
where:
bonds (distance) C4'-P energy: -51.820
bonds (distance) P-C4' energy: -61.092
flat angles C4'-P-C4' energy: -56.321
flat angles P-C4'-P energy: -44.159
tors. eta vs tors. theta energy: 4.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 97
Temperature: 0.900000
Total energy: -1337.244362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1337.244362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1337.244362 (E_RNA)
where:
Base-Base interactions energy: -917.186
where: short stacking energy: -383.081
Base-Backbone interact. energy: -3.039
local terms energy: -417.019946
where:
bonds (distance) C4'-P energy: -70.710
bonds (distance) P-C4' energy: -81.181
flat angles C4'-P-C4' energy: -85.504
flat angles P-C4'-P energy: -61.940
tors. eta vs tors. theta energy: -117.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 97
Temperature: 0.950000
Total energy: -1291.928901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1291.928901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1291.928901 (E_RNA)
where:
Base-Base interactions energy: -877.289
where: short stacking energy: -373.301
Base-Backbone interact. energy: -2.311
local terms energy: -412.328424
where:
bonds (distance) C4'-P energy: -73.639
bonds (distance) P-C4' energy: -83.450
flat angles C4'-P-C4' energy: -84.670
flat angles P-C4'-P energy: -59.259
tors. eta vs tors. theta energy: -111.310
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: 2
=====================================
Write number: 97
Temperature: 1.000000
Total energy: -1198.631051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1198.631051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1198.631051 (E_RNA)
where:
Base-Base interactions energy: -829.516
where: short stacking energy: -353.814
Base-Backbone interact. energy: 0.663
local terms energy: -369.778132
where:
bonds (distance) C4'-P energy: -67.634
bonds (distance) P-C4' energy: -73.748
flat angles C4'-P-C4' energy: -78.911
flat angles P-C4'-P energy: -51.368
tors. eta vs tors. theta energy: -98.117
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: 10
=====================================
Write number: 97
Temperature: 1.050000
Total energy: -1110.876333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1110.876333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1110.876333 (E_RNA)
where:
Base-Base interactions energy: -744.914
where: short stacking energy: -325.896
Base-Backbone interact. energy: -0.339
local terms energy: -365.623444
where:
bonds (distance) C4'-P energy: -68.674
bonds (distance) P-C4' energy: -77.647
flat angles C4'-P-C4' energy: -81.403
flat angles P-C4'-P energy: -49.700
tors. eta vs tors. theta energy: -88.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 97
Temperature: 1.100000
Total energy: -1147.573472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1147.573472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1147.573472 (E_RNA)
where:
Base-Base interactions energy: -769.273
where: short stacking energy: -346.735
Base-Backbone interact. energy: -0.479
local terms energy: -377.821165
where:
bonds (distance) C4'-P energy: -69.851
bonds (distance) P-C4' energy: -76.577
flat angles C4'-P-C4' energy: -83.327
flat angles P-C4'-P energy: -60.839
tors. eta vs tors. theta energy: -87.228
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: 5
=====================================
Write number: 97
Temperature: 1.150000
Total energy: -914.184891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -914.184891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -914.184891 (E_RNA)
where:
Base-Base interactions energy: -611.024
where: short stacking energy: -274.485
Base-Backbone interact. energy: 2.508
local terms energy: -305.668389
where:
bonds (distance) C4'-P energy: -65.990
bonds (distance) P-C4' energy: -65.914
flat angles C4'-P-C4' energy: -73.614
flat angles P-C4'-P energy: -39.588
tors. eta vs tors. theta energy: -60.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 97
Temperature: 1.200000
Total energy: -812.422816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -812.422816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -812.422816 (E_RNA)
where:
Base-Base interactions energy: -535.979
where: short stacking energy: -230.804
Base-Backbone interact. energy: 2.404
local terms energy: -278.847357
where:
bonds (distance) C4'-P energy: -56.687
bonds (distance) P-C4' energy: -67.516
flat angles C4'-P-C4' energy: -67.517
flat angles P-C4'-P energy: -40.562
tors. eta vs tors. theta energy: -46.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 97
Temperature: 1.250000
Total energy: -676.349321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -676.349321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -676.349321 (E_RNA)
where:
Base-Base interactions energy: -428.905
where: short stacking energy: -194.019
Base-Backbone interact. energy: 5.351
local terms energy: -252.795520
where:
bonds (distance) C4'-P energy: -64.177
bonds (distance) P-C4' energy: -68.305
flat angles C4'-P-C4' energy: -54.286
flat angles P-C4'-P energy: -36.952
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: 9, replica: 7
=====================================
Write number: 97
Temperature: 1.300000
Total energy: -443.988243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.988243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.988243 (E_RNA)
where:
Base-Base interactions energy: -204.091
where: short stacking energy: -121.133
Base-Backbone interact. energy: 0.738
local terms energy: -240.635208
where:
bonds (distance) C4'-P energy: -76.828
bonds (distance) P-C4' energy: -63.434
flat angles C4'-P-C4' energy: -65.473
flat angles P-C4'-P energy: -31.379
tors. eta vs tors. theta energy: -3.520
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: 10, replica: 4
=====================================
Write number: 97
Temperature: 1.350000
Total energy: -394.591275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.591275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -394.591275 (E_RNA)
where:
Base-Base interactions energy: -165.096
where: short stacking energy: -106.822
Base-Backbone interact. energy: 2.618
local terms energy: -232.234783
where:
bonds (distance) C4'-P energy: -57.483
bonds (distance) P-C4' energy: -80.908
flat angles C4'-P-C4' energy: -56.804
flat angles P-C4'-P energy: -37.418
tors. eta vs tors. theta energy: 0.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.121 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 98
Temperature: 0.900000
Total energy: -1326.766856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1326.766856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1326.766856 (E_RNA)
where:
Base-Base interactions energy: -916.301
where: short stacking energy: -388.683
Base-Backbone interact. energy: -1.306
local terms energy: -409.159683
where:
bonds (distance) C4'-P energy: -79.759
bonds (distance) P-C4' energy: -81.705
flat angles C4'-P-C4' energy: -85.309
flat angles P-C4'-P energy: -51.899
tors. eta vs tors. theta energy: -110.488
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: 98
Temperature: 0.950000
Total energy: -1282.575172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1282.575172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1282.575172 (E_RNA)
where:
Base-Base interactions energy: -882.611
where: short stacking energy: -371.054
Base-Backbone interact. energy: -2.401
local terms energy: -397.563479
where:
bonds (distance) C4'-P energy: -74.094
bonds (distance) P-C4' energy: -80.625
flat angles C4'-P-C4' energy: -81.962
flat angles P-C4'-P energy: -54.028
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: 3, replica: 2
=====================================
Write number: 98
Temperature: 1.000000
Total energy: -1211.775953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1211.775953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1211.775953 (E_RNA)
where:
Base-Base interactions energy: -840.219
where: short stacking energy: -343.377
Base-Backbone interact. energy: -1.716
local terms energy: -370.169207
where:
bonds (distance) C4'-P energy: -78.809
bonds (distance) P-C4' energy: -67.281
flat angles C4'-P-C4' energy: -84.535
flat angles P-C4'-P energy: -51.295
tors. eta vs tors. theta energy: -88.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.328 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 98
Temperature: 1.050000
Total energy: -1143.562821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1143.562821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1143.562821 (E_RNA)
where:
Base-Base interactions energy: -765.840
where: short stacking energy: -350.729
Base-Backbone interact. energy: -0.233
local terms energy: -377.490076
where:
bonds (distance) C4'-P energy: -67.747
bonds (distance) P-C4' energy: -83.915
flat angles C4'-P-C4' energy: -74.542
flat angles P-C4'-P energy: -53.231
tors. eta vs tors. theta energy: -98.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 98
Temperature: 1.100000
Total energy: -1141.653849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1141.653849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1141.653849 (E_RNA)
where:
Base-Base interactions energy: -782.115
where: short stacking energy: -343.168
Base-Backbone interact. energy: 1.667
local terms energy: -361.206173
where:
bonds (distance) C4'-P energy: -60.928
bonds (distance) P-C4' energy: -72.396
flat angles C4'-P-C4' energy: -82.509
flat angles P-C4'-P energy: -55.455
tors. eta vs tors. theta energy: -89.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 98
Temperature: 1.150000
Total energy: -923.275327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -923.275327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -923.275327 (E_RNA)
where:
Base-Base interactions energy: -611.793
where: short stacking energy: -259.125
Base-Backbone interact. energy: -2.946
local terms energy: -308.536482
where:
bonds (distance) C4'-P energy: -63.845
bonds (distance) P-C4' energy: -71.847
flat angles C4'-P-C4' energy: -71.950
flat angles P-C4'-P energy: -45.060
tors. eta vs tors. theta energy: -55.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 98
Temperature: 1.200000
Total energy: -807.847234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -807.847234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -807.847234 (E_RNA)
where:
Base-Base interactions energy: -509.271
where: short stacking energy: -215.317
Base-Backbone interact. energy: -2.446
local terms energy: -296.130001
where:
bonds (distance) C4'-P energy: -67.649
bonds (distance) P-C4' energy: -65.828
flat angles C4'-P-C4' energy: -69.974
flat angles P-C4'-P energy: -55.602
tors. eta vs tors. theta energy: -37.076
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: 9
=====================================
Write number: 98
Temperature: 1.250000
Total energy: -712.757185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -712.757185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -712.757185 (E_RNA)
where:
Base-Base interactions energy: -454.130
where: short stacking energy: -199.033
Base-Backbone interact. energy: 2.389
local terms energy: -261.015794
where:
bonds (distance) C4'-P energy: -73.000
bonds (distance) P-C4' energy: -69.550
flat angles C4'-P-C4' energy: -56.470
flat angles P-C4'-P energy: -42.624
tors. eta vs tors. theta energy: -19.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 98
Temperature: 1.300000
Total energy: -451.851241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.851241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.851241 (E_RNA)
where:
Base-Base interactions energy: -220.114
where: short stacking energy: -141.502
Base-Backbone interact. energy: -1.065
local terms energy: -230.672220
where:
bonds (distance) C4'-P energy: -58.514
bonds (distance) P-C4' energy: -70.252
flat angles C4'-P-C4' energy: -55.942
flat angles P-C4'-P energy: -40.623
tors. eta vs tors. theta energy: -5.340
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: 4
=====================================
Write number: 98
Temperature: 1.350000
Total energy: -414.467395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.467395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.467395 (E_RNA)
where:
Base-Base interactions energy: -214.098
where: short stacking energy: -116.083
Base-Backbone interact. energy: -0.744
local terms energy: -199.625162
where:
bonds (distance) C4'-P energy: -44.333
bonds (distance) P-C4' energy: -53.836
flat angles C4'-P-C4' energy: -72.855
flat angles P-C4'-P energy: -27.478
tors. eta vs tors. theta energy: -1.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 99
Temperature: 0.900000
Total energy: -1319.168848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1319.168848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1319.168848 (E_RNA)
where:
Base-Base interactions energy: -922.017
where: short stacking energy: -377.160
Base-Backbone interact. energy: -1.836
local terms energy: -395.315592
where:
bonds (distance) C4'-P energy: -77.802
bonds (distance) P-C4' energy: -70.852
flat angles C4'-P-C4' energy: -86.451
flat angles P-C4'-P energy: -56.435
tors. eta vs tors. theta energy: -103.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 99
Temperature: 0.950000
Total energy: -1272.699765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1272.699765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1272.699765 (E_RNA)
where:
Base-Base interactions energy: -876.767
where: short stacking energy: -385.420
Base-Backbone interact. energy: -2.514
local terms energy: -393.418636
where:
bonds (distance) C4'-P energy: -81.298
bonds (distance) P-C4' energy: -75.924
flat angles C4'-P-C4' energy: -76.752
flat angles P-C4'-P energy: -52.321
tors. eta vs tors. theta energy: -107.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 99
Temperature: 1.000000
Total energy: -1228.146703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1228.146703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1228.146703 (E_RNA)
where:
Base-Base interactions energy: -849.950
where: short stacking energy: -348.165
Base-Backbone interact. energy: -1.944
local terms energy: -376.252514
where:
bonds (distance) C4'-P energy: -72.971
bonds (distance) P-C4' energy: -78.166
flat angles C4'-P-C4' energy: -79.600
flat angles P-C4'-P energy: -49.923
tors. eta vs tors. theta energy: -95.592
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: 1
=====================================
Write number: 99
Temperature: 1.050000
Total energy: -1160.783428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1160.783428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1160.783428 (E_RNA)
where:
Base-Base interactions energy: -801.939
where: short stacking energy: -347.056
Base-Backbone interact. energy: -1.839
local terms energy: -357.005475
where:
bonds (distance) C4'-P energy: -60.833
bonds (distance) P-C4' energy: -69.767
flat angles C4'-P-C4' energy: -78.724
flat angles P-C4'-P energy: -56.595
tors. eta vs tors. theta energy: -91.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 99
Temperature: 1.100000
Total energy: -1096.974437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1096.974437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1096.974437 (E_RNA)
where:
Base-Base interactions energy: -738.418
where: short stacking energy: -325.059
Base-Backbone interact. energy: -0.807
local terms energy: -357.748928
where:
bonds (distance) C4'-P energy: -75.040
bonds (distance) P-C4' energy: -67.668
flat angles C4'-P-C4' energy: -71.853
flat angles P-C4'-P energy: -53.357
tors. eta vs tors. theta energy: -89.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 99
Temperature: 1.150000
Total energy: -922.964108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -922.964108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -922.964108 (E_RNA)
where:
Base-Base interactions energy: -622.569
where: short stacking energy: -272.198
Base-Backbone interact. energy: 3.180
local terms energy: -303.575072
where:
bonds (distance) C4'-P energy: -59.579
bonds (distance) P-C4' energy: -64.602
flat angles C4'-P-C4' energy: -74.966
flat angles P-C4'-P energy: -36.447
tors. eta vs tors. theta energy: -67.980
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: 6
=====================================
Write number: 99
Temperature: 1.200000
Total energy: -798.164744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -798.164744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -798.164744 (E_RNA)
where:
Base-Base interactions energy: -509.657
where: short stacking energy: -218.676
Base-Backbone interact. energy: -1.022
local terms energy: -287.485458
where:
bonds (distance) C4'-P energy: -68.758
bonds (distance) P-C4' energy: -68.420
flat angles C4'-P-C4' energy: -65.871
flat angles P-C4'-P energy: -39.310
tors. eta vs tors. theta energy: -45.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 99
Temperature: 1.250000
Total energy: -671.821863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -671.821863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -671.821863 (E_RNA)
where:
Base-Base interactions energy: -426.917
where: short stacking energy: -181.968
Base-Backbone interact. energy: -0.851
local terms energy: -244.195772
where:
bonds (distance) C4'-P energy: -65.951
bonds (distance) P-C4' energy: -79.125
flat angles C4'-P-C4' energy: -54.853
flat angles P-C4'-P energy: -17.808
tors. eta vs tors. theta energy: -26.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.142 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 99
Temperature: 1.300000
Total energy: -502.436939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.436939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.436939 (E_RNA)
where:
Base-Base interactions energy: -262.125
where: short stacking energy: -169.029
Base-Backbone interact. energy: -2.163
local terms energy: -238.149001
where:
bonds (distance) C4'-P energy: -60.399
bonds (distance) P-C4' energy: -63.309
flat angles C4'-P-C4' energy: -61.465
flat angles P-C4'-P energy: -25.242
tors. eta vs tors. theta energy: -27.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 99
Temperature: 1.350000
Total energy: -348.998775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.998775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.998775 (E_RNA)
where:
Base-Base interactions energy: -167.458
where: short stacking energy: -93.544
Base-Backbone interact. energy: -1.427
local terms energy: -180.114123
where:
bonds (distance) C4'-P energy: -69.428
bonds (distance) P-C4' energy: -67.569
flat angles C4'-P-C4' energy: -56.463
flat angles P-C4'-P energy: -9.372
tors. eta vs tors. theta energy: 22.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 100
Temperature: 0.900000
Total energy: -1325.345317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1325.345317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1325.345317 (E_RNA)
where:
Base-Base interactions energy: -926.460
where: short stacking energy: -382.358
Base-Backbone interact. energy: -3.077
local terms energy: -395.808276
where:
bonds (distance) C4'-P energy: -73.588
bonds (distance) P-C4' energy: -77.114
flat angles C4'-P-C4' energy: -81.080
flat angles P-C4'-P energy: -55.914
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: 2, replica: 3
=====================================
Write number: 100
Temperature: 0.950000
Total energy: -1285.633759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1285.633759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1285.633759 (E_RNA)
where:
Base-Base interactions energy: -892.712
where: short stacking energy: -390.800
Base-Backbone interact. energy: 0.249
local terms energy: -393.170866
where:
bonds (distance) C4'-P energy: -70.326
bonds (distance) P-C4' energy: -77.190
flat angles C4'-P-C4' energy: -80.694
flat angles P-C4'-P energy: -57.674
tors. eta vs tors. theta energy: -107.287
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: 2
=====================================
Write number: 100
Temperature: 1.000000
Total energy: -1195.915788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1195.915788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1195.915788 (E_RNA)
where:
Base-Base interactions energy: -826.256
where: short stacking energy: -346.509
Base-Backbone interact. energy: -2.247
local terms energy: -367.412429
where:
bonds (distance) C4'-P energy: -65.241
bonds (distance) P-C4' energy: -73.491
flat angles C4'-P-C4' energy: -79.267
flat angles P-C4'-P energy: -57.873
tors. eta vs tors. theta energy: -91.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 100
Temperature: 1.050000
Total energy: -1163.539087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1163.539087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1163.539087 (E_RNA)
where:
Base-Base interactions energy: -791.223
where: short stacking energy: -365.314
Base-Backbone interact. energy: -2.437
local terms energy: -371.574647
where:
bonds (distance) C4'-P energy: -67.588
bonds (distance) P-C4' energy: -73.598
flat angles C4'-P-C4' energy: -84.707
flat angles P-C4'-P energy: -46.343
tors. eta vs tors. theta energy: -99.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.695 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 100
Temperature: 1.100000
Total energy: -1123.632995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1123.632995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1123.632995 (E_RNA)
where:
Base-Base interactions energy: -768.011
where: short stacking energy: -338.482
Base-Backbone interact. energy: 0.757
local terms energy: -356.378597
where:
bonds (distance) C4'-P energy: -60.669
bonds (distance) P-C4' energy: -69.326
flat angles C4'-P-C4' energy: -80.964
flat angles P-C4'-P energy: -58.172
tors. eta vs tors. theta energy: -87.248
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: 6, replica: 5
=====================================
Write number: 100
Temperature: 1.150000
Total energy: -937.003487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -937.003487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -937.003487 (E_RNA)
where:
Base-Base interactions energy: -604.845
where: short stacking energy: -271.379
Base-Backbone interact. energy: -2.399
local terms energy: -329.759072
where:
bonds (distance) C4'-P energy: -72.497
bonds (distance) P-C4' energy: -73.974
flat angles C4'-P-C4' energy: -69.064
flat angles P-C4'-P energy: -43.102
tors. eta vs tors. theta energy: -71.122
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: 6
=====================================
Write number: 100
Temperature: 1.200000
Total energy: -822.303329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -822.303329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -822.303329 (E_RNA)
where:
Base-Base interactions energy: -547.451
where: short stacking energy: -221.904
Base-Backbone interact. energy: -0.809
local terms energy: -274.046520
where:
bonds (distance) C4'-P energy: -50.759
bonds (distance) P-C4' energy: -69.249
flat angles C4'-P-C4' energy: -58.344
flat angles P-C4'-P energy: -48.985
tors. eta vs tors. theta energy: -46.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.003 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 100
Temperature: 1.250000
Total energy: -676.469933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -676.469933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -676.469933 (E_RNA)
where:
Base-Base interactions energy: -423.439
where: short stacking energy: -203.452
Base-Backbone interact. energy: 1.111
local terms energy: -254.141997
where:
bonds (distance) C4'-P energy: -58.272
bonds (distance) P-C4' energy: -65.776
flat angles C4'-P-C4' energy: -61.048
flat angles P-C4'-P energy: -40.341
tors. eta vs tors. theta energy: -28.705
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: 9, replica: 7
=====================================
Write number: 100
Temperature: 1.300000
Total energy: -463.081116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.081116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.081116 (E_RNA)
where:
Base-Base interactions energy: -232.059
where: short stacking energy: -140.034
Base-Backbone interact. energy: -0.246
local terms energy: -231.483011
where:
bonds (distance) C4'-P energy: -47.044
bonds (distance) P-C4' energy: -74.221
flat angles C4'-P-C4' energy: -60.890
flat angles P-C4'-P energy: -47.796
tors. eta vs tors. theta energy: -1.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.707 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 100
Temperature: 1.350000
Total energy: -363.434539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.434539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.434539 (E_RNA)
where:
Base-Base interactions energy: -176.264
where: short stacking energy: -118.414
Base-Backbone interact. energy: -2.191
local terms energy: -184.978868
where:
bonds (distance) C4'-P energy: -54.193
bonds (distance) P-C4' energy: -56.137
flat angles C4'-P-C4' energy: -57.873
flat angles P-C4'-P energy: -22.001
tors. eta vs tors. theta energy: 5.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 101
Temperature: 0.900000
Total energy: -1324.005332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1324.005332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1324.005332 (E_RNA)
where:
Base-Base interactions energy: -929.719
where: short stacking energy: -377.756
Base-Backbone interact. energy: -2.045
local terms energy: -392.241714
where:
bonds (distance) C4'-P energy: -73.244
bonds (distance) P-C4' energy: -72.432
flat angles C4'-P-C4' energy: -81.353
flat angles P-C4'-P energy: -55.158
tors. eta vs tors. theta energy: -110.055
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: 2
=====================================
Write number: 101
Temperature: 0.950000
Total energy: -1223.963452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1223.963452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1223.963452 (E_RNA)
where:
Base-Base interactions energy: -824.176
where: short stacking energy: -338.420
Base-Backbone interact. energy: -2.382
local terms energy: -397.405666
where:
bonds (distance) C4'-P energy: -77.003
bonds (distance) P-C4' energy: -86.214
flat angles C4'-P-C4' energy: -79.898
flat angles P-C4'-P energy: -54.909
tors. eta vs tors. theta energy: -99.382
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: 3
=====================================
Write number: 101
Temperature: 1.000000
Total energy: -1259.999680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1259.999680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1259.999680 (E_RNA)
where:
Base-Base interactions energy: -877.257
where: short stacking energy: -371.106
Base-Backbone interact. energy: -1.051
local terms energy: -381.691521
where:
bonds (distance) C4'-P energy: -74.213
bonds (distance) P-C4' energy: -71.338
flat angles C4'-P-C4' energy: -75.788
flat angles P-C4'-P energy: -58.807
tors. eta vs tors. theta energy: -101.546
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: 4, replica: 10
=====================================
Write number: 101
Temperature: 1.050000
Total energy: -1141.656580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1141.656580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1141.656580 (E_RNA)
where:
Base-Base interactions energy: -770.562
where: short stacking energy: -350.544
Base-Backbone interact. energy: -0.136
local terms energy: -370.958289
where:
bonds (distance) C4'-P energy: -64.610
bonds (distance) P-C4' energy: -74.592
flat angles C4'-P-C4' energy: -85.797
flat angles P-C4'-P energy: -50.935
tors. eta vs tors. theta energy: -95.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 101
Temperature: 1.100000
Total energy: -1127.281081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1127.281081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1127.281081 (E_RNA)
where:
Base-Base interactions energy: -767.041
where: short stacking energy: -339.318
Base-Backbone interact. energy: -0.425
local terms energy: -360.273465
where:
bonds (distance) C4'-P energy: -71.519
bonds (distance) P-C4' energy: -68.866
flat angles C4'-P-C4' energy: -74.565
flat angles P-C4'-P energy: -62.215
tors. eta vs tors. theta energy: -83.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.458 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 101
Temperature: 1.150000
Total energy: -946.440320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -946.440320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -946.440320 (E_RNA)
where:
Base-Base interactions energy: -622.955
where: short stacking energy: -275.909
Base-Backbone interact. energy: -0.969
local terms energy: -322.515500
where:
bonds (distance) C4'-P energy: -74.516
bonds (distance) P-C4' energy: -64.148
flat angles C4'-P-C4' energy: -83.009
flat angles P-C4'-P energy: -31.198
tors. eta vs tors. theta energy: -69.645
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: 7, replica: 6
=====================================
Write number: 101
Temperature: 1.200000
Total energy: -798.945349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -798.945349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -798.945349 (E_RNA)
where:
Base-Base interactions energy: -522.808
where: short stacking energy: -220.154
Base-Backbone interact. energy: -2.339
local terms energy: -273.797866
where:
bonds (distance) C4'-P energy: -53.640
bonds (distance) P-C4' energy: -79.910
flat angles C4'-P-C4' energy: -53.707
flat angles P-C4'-P energy: -48.272
tors. eta vs tors. theta energy: -38.269
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: 9
=====================================
Write number: 101
Temperature: 1.250000
Total energy: -679.456639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -679.456639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -679.456639 (E_RNA)
where:
Base-Base interactions energy: -424.307
where: short stacking energy: -187.797
Base-Backbone interact. energy: -0.078
local terms energy: -255.071757
where:
bonds (distance) C4'-P energy: -58.711
bonds (distance) P-C4' energy: -76.867
flat angles C4'-P-C4' energy: -59.295
flat angles P-C4'-P energy: -37.199
tors. eta vs tors. theta energy: -23.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 101
Temperature: 1.300000
Total energy: -501.846701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.846701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.846701 (E_RNA)
where:
Base-Base interactions energy: -267.308
where: short stacking energy: -162.472
Base-Backbone interact. energy: 1.113
local terms energy: -236.772873
where:
bonds (distance) C4'-P energy: -64.127
bonds (distance) P-C4' energy: -73.026
flat angles C4'-P-C4' energy: -50.837
flat angles P-C4'-P energy: -23.498
tors. eta vs tors. theta energy: -25.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.121 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 101
Temperature: 1.350000
Total energy: -382.799971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.799971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.799971 (E_RNA)
where:
Base-Base interactions energy: -167.841
where: short stacking energy: -108.593
Base-Backbone interact. energy: -2.330
local terms energy: -212.629124
where:
bonds (distance) C4'-P energy: -59.962
bonds (distance) P-C4' energy: -61.061
flat angles C4'-P-C4' energy: -57.719
flat angles P-C4'-P energy: -30.626
tors. eta vs tors. theta energy: -3.260
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: 8
=====================================
Write number: 102
Temperature: 0.900000
Total energy: -1328.319634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1328.319634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1328.319634 (E_RNA)
where:
Base-Base interactions energy: -928.753
where: short stacking energy: -368.144
Base-Backbone interact. energy: -1.529
local terms energy: -398.037644
where:
bonds (distance) C4'-P energy: -74.138
bonds (distance) P-C4' energy: -71.562
flat angles C4'-P-C4' energy: -89.972
flat angles P-C4'-P energy: -60.837
tors. eta vs tors. theta energy: -101.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 102
Temperature: 0.950000
Total energy: -1238.354725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1238.354725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1238.354725 (E_RNA)
where:
Base-Base interactions energy: -857.149
where: short stacking energy: -354.770
Base-Backbone interact. energy: 1.423
local terms energy: -382.628470
where:
bonds (distance) C4'-P energy: -65.954
bonds (distance) P-C4' energy: -76.672
flat angles C4'-P-C4' energy: -84.089
flat angles P-C4'-P energy: -56.758
tors. eta vs tors. theta energy: -99.155
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: 3
=====================================
Write number: 102
Temperature: 1.000000
Total energy: -1248.091333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1248.091333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1248.091333 (E_RNA)
where:
Base-Base interactions energy: -881.249
where: short stacking energy: -355.763
Base-Backbone interact. energy: 0.558
local terms energy: -367.399839
where:
bonds (distance) C4'-P energy: -69.372
bonds (distance) P-C4' energy: -67.486
flat angles C4'-P-C4' energy: -78.590
flat angles P-C4'-P energy: -55.164
tors. eta vs tors. theta energy: -96.787
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: 4, replica: 10
=====================================
Write number: 102
Temperature: 1.050000
Total energy: -1162.042920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1162.042920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1162.042920 (E_RNA)
where:
Base-Base interactions energy: -781.341
where: short stacking energy: -350.628
Base-Backbone interact. energy: 0.911
local terms energy: -381.613056
where:
bonds (distance) C4'-P energy: -70.818
bonds (distance) P-C4' energy: -75.929
flat angles C4'-P-C4' energy: -74.831
flat angles P-C4'-P energy: -62.359
tors. eta vs tors. theta energy: -97.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 102
Temperature: 1.100000
Total energy: -1146.377093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1146.377093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1146.377093 (E_RNA)
where:
Base-Base interactions energy: -787.487
where: short stacking energy: -339.879
Base-Backbone interact. energy: -1.762
local terms energy: -357.128000
where:
bonds (distance) C4'-P energy: -60.274
bonds (distance) P-C4' energy: -65.413
flat angles C4'-P-C4' energy: -74.851
flat angles P-C4'-P energy: -59.690
tors. eta vs tors. theta energy: -96.900
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: 5
=====================================
Write number: 102
Temperature: 1.150000
Total energy: -941.006735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -941.006735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -941.006735 (E_RNA)
where:
Base-Base interactions energy: -623.151
where: short stacking energy: -268.172
Base-Backbone interact. energy: -1.615
local terms energy: -316.240494
where:
bonds (distance) C4'-P energy: -63.044
bonds (distance) P-C4' energy: -75.417
flat angles C4'-P-C4' energy: -64.685
flat angles P-C4'-P energy: -35.438
tors. eta vs tors. theta energy: -77.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 102
Temperature: 1.200000
Total energy: -816.215395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -816.215395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -816.215395 (E_RNA)
where:
Base-Base interactions energy: -549.466
where: short stacking energy: -236.453
Base-Backbone interact. energy: 4.182
local terms energy: -270.932191
where:
bonds (distance) C4'-P energy: -69.593
bonds (distance) P-C4' energy: -51.055
flat angles C4'-P-C4' energy: -66.314
flat angles P-C4'-P energy: -43.529
tors. eta vs tors. theta energy: -40.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 102
Temperature: 1.250000
Total energy: -707.655412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -707.655412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -707.655412 (E_RNA)
where:
Base-Base interactions energy: -434.139
where: short stacking energy: -197.382
Base-Backbone interact. energy: -2.080
local terms energy: -271.437265
where:
bonds (distance) C4'-P energy: -51.440
bonds (distance) P-C4' energy: -72.499
flat angles C4'-P-C4' energy: -68.862
flat angles P-C4'-P energy: -36.974
tors. eta vs tors. theta energy: -41.662
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: 102
Temperature: 1.300000
Total energy: -396.084972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.084972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.084972 (E_RNA)
where:
Base-Base interactions energy: -173.584
where: short stacking energy: -123.386
Base-Backbone interact. energy: -0.528
local terms energy: -221.973121
where:
bonds (distance) C4'-P energy: -61.402
bonds (distance) P-C4' energy: -61.009
flat angles C4'-P-C4' energy: -57.275
flat angles P-C4'-P energy: -35.277
tors. eta vs tors. theta energy: -7.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 102
Temperature: 1.350000
Total energy: -428.815049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.815049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.815049 (E_RNA)
where:
Base-Base interactions energy: -210.464
where: short stacking energy: -133.997
Base-Backbone interact. energy: 2.149
local terms energy: -220.499452
where:
bonds (distance) C4'-P energy: -62.645
bonds (distance) P-C4' energy: -65.985
flat angles C4'-P-C4' energy: -61.768
flat angles P-C4'-P energy: -23.704
tors. eta vs tors. theta energy: -6.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 103
Temperature: 0.900000
Total energy: -1343.956472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1343.956472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1343.956472 (E_RNA)
where:
Base-Base interactions energy: -920.473
where: short stacking energy: -382.104
Base-Backbone interact. energy: -2.701
local terms energy: -420.782452
where:
bonds (distance) C4'-P energy: -80.723
bonds (distance) P-C4' energy: -77.054
flat angles C4'-P-C4' energy: -95.551
flat angles P-C4'-P energy: -56.174
tors. eta vs tors. theta energy: -111.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 103
Temperature: 0.950000
Total energy: -1245.061518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1245.061518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1245.061518 (E_RNA)
where:
Base-Base interactions energy: -837.445
where: short stacking energy: -361.347
Base-Backbone interact. energy: -0.494
local terms energy: -407.123440
where:
bonds (distance) C4'-P energy: -72.725
bonds (distance) P-C4' energy: -84.879
flat angles C4'-P-C4' energy: -90.806
flat angles P-C4'-P energy: -61.778
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: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 103
Temperature: 1.000000
Total energy: -1237.995836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1237.995836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1237.995836 (E_RNA)
where:
Base-Base interactions energy: -848.491
where: short stacking energy: -355.790
Base-Backbone interact. energy: 2.996
local terms energy: -392.500151
where:
bonds (distance) C4'-P energy: -73.880
bonds (distance) P-C4' energy: -72.234
flat angles C4'-P-C4' energy: -85.113
flat angles P-C4'-P energy: -59.432
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: 4, replica: 1
=====================================
Write number: 103
Temperature: 1.050000
Total energy: -1171.970571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1171.970571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1171.970571 (E_RNA)
where:
Base-Base interactions energy: -798.655
where: short stacking energy: -340.257
Base-Backbone interact. energy: -3.328
local terms energy: -369.986998
where:
bonds (distance) C4'-P energy: -72.800
bonds (distance) P-C4' energy: -78.802
flat angles C4'-P-C4' energy: -72.934
flat angles P-C4'-P energy: -47.849
tors. eta vs tors. theta energy: -97.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 103
Temperature: 1.100000
Total energy: -1091.911548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1091.911548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1091.911548 (E_RNA)
where:
Base-Base interactions energy: -722.092
where: short stacking energy: -337.896
Base-Backbone interact. energy: -0.260
local terms energy: -369.559897
where:
bonds (distance) C4'-P energy: -77.265
bonds (distance) P-C4' energy: -62.296
flat angles C4'-P-C4' energy: -87.966
flat angles P-C4'-P energy: -50.163
tors. eta vs tors. theta energy: -91.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 103
Temperature: 1.150000
Total energy: -913.326774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -913.326774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -913.326774 (E_RNA)
where:
Base-Base interactions energy: -603.975
where: short stacking energy: -252.920
Base-Backbone interact. energy: 1.546
local terms energy: -310.897271
where:
bonds (distance) C4'-P energy: -69.032
bonds (distance) P-C4' energy: -67.918
flat angles C4'-P-C4' energy: -64.204
flat angles P-C4'-P energy: -50.132
tors. eta vs tors. theta energy: -59.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 103
Temperature: 1.200000
Total energy: -828.243653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -828.243653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -828.243653 (E_RNA)
where:
Base-Base interactions energy: -512.957
where: short stacking energy: -243.782
Base-Backbone interact. energy: 1.773
local terms energy: -317.059891
where:
bonds (distance) C4'-P energy: -67.785
bonds (distance) P-C4' energy: -71.296
flat angles C4'-P-C4' energy: -69.905
flat angles P-C4'-P energy: -54.115
tors. eta vs tors. theta energy: -53.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 103
Temperature: 1.250000
Total energy: -707.246939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -707.246939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -707.246939 (E_RNA)
where:
Base-Base interactions energy: -428.581
where: short stacking energy: -190.663
Base-Backbone interact. energy: -1.240
local terms energy: -277.425914
where:
bonds (distance) C4'-P energy: -62.846
bonds (distance) P-C4' energy: -70.197
flat angles C4'-P-C4' energy: -65.734
flat angles P-C4'-P energy: -43.130
tors. eta vs tors. theta energy: -35.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 103
Temperature: 1.300000
Total energy: -384.565963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.565963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.565963 (E_RNA)
where:
Base-Base interactions energy: -151.633
where: short stacking energy: -105.363
Base-Backbone interact. energy: 3.825
local terms energy: -236.758326
where:
bonds (distance) C4'-P energy: -71.606
bonds (distance) P-C4' energy: -60.932
flat angles C4'-P-C4' energy: -63.853
flat angles P-C4'-P energy: -39.169
tors. eta vs tors. theta energy: -1.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 103
Temperature: 1.350000
Total energy: -446.341795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.341795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.341795 (E_RNA)
where:
Base-Base interactions energy: -232.564
where: short stacking energy: -138.761
Base-Backbone interact. energy: -1.371
local terms energy: -212.407115
where:
bonds (distance) C4'-P energy: -58.471
bonds (distance) P-C4' energy: -75.874
flat angles C4'-P-C4' energy: -43.048
flat angles P-C4'-P energy: -34.477
tors. eta vs tors. theta energy: -0.538
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: 1, replica: 8
=====================================
Write number: 104
Temperature: 0.900000
Total energy: -1321.132040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1321.132040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1321.132040 (E_RNA)
where:
Base-Base interactions energy: -923.438
where: short stacking energy: -372.832
Base-Backbone interact. energy: -2.416
local terms energy: -395.278068
where:
bonds (distance) C4'-P energy: -86.922
bonds (distance) P-C4' energy: -72.347
flat angles C4'-P-C4' energy: -75.138
flat angles P-C4'-P energy: -51.022
tors. eta vs tors. theta energy: -109.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 104
Temperature: 0.950000
Total energy: -1249.675959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1249.675959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1249.675959 (E_RNA)
where:
Base-Base interactions energy: -853.758
where: short stacking energy: -374.291
Base-Backbone interact. energy: -2.252
local terms energy: -393.666679
where:
bonds (distance) C4'-P energy: -72.248
bonds (distance) P-C4' energy: -79.573
flat angles C4'-P-C4' energy: -83.828
flat angles P-C4'-P energy: -61.242
tors. eta vs tors. theta energy: -96.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 104
Temperature: 1.000000
Total energy: -1261.330465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1261.330465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1261.330465 (E_RNA)
where:
Base-Base interactions energy: -887.416
where: short stacking energy: -356.663
Base-Backbone interact. energy: 3.358
local terms energy: -377.271991
where:
bonds (distance) C4'-P energy: -62.880
bonds (distance) P-C4' energy: -74.417
flat angles C4'-P-C4' energy: -80.985
flat angles P-C4'-P energy: -59.024
tors. eta vs tors. theta energy: -99.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 104
Temperature: 1.050000
Total energy: -1187.116329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1187.116329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1187.116329 (E_RNA)
where:
Base-Base interactions energy: -814.090
where: short stacking energy: -340.377
Base-Backbone interact. energy: 0.457
local terms energy: -373.483284
where:
bonds (distance) C4'-P energy: -65.924
bonds (distance) P-C4' energy: -81.904
flat angles C4'-P-C4' energy: -77.948
flat angles P-C4'-P energy: -58.146
tors. eta vs tors. theta energy: -89.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 104
Temperature: 1.100000
Total energy: -1092.795870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1092.795870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1092.795870 (E_RNA)
where:
Base-Base interactions energy: -747.932
where: short stacking energy: -325.758
Base-Backbone interact. energy: -0.274
local terms energy: -344.589830
where:
bonds (distance) C4'-P energy: -72.012
bonds (distance) P-C4' energy: -50.006
flat angles C4'-P-C4' energy: -69.975
flat angles P-C4'-P energy: -54.387
tors. eta vs tors. theta energy: -98.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 104
Temperature: 1.150000
Total energy: -920.683775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -920.683775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -920.683775 (E_RNA)
where:
Base-Base interactions energy: -607.818
where: short stacking energy: -249.251
Base-Backbone interact. energy: 0.731
local terms energy: -313.596756
where:
bonds (distance) C4'-P energy: -67.864
bonds (distance) P-C4' energy: -69.806
flat angles C4'-P-C4' energy: -63.464
flat angles P-C4'-P energy: -50.470
tors. eta vs tors. theta energy: -61.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 104
Temperature: 1.200000
Total energy: -815.645935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -815.645935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -815.645935 (E_RNA)
where:
Base-Base interactions energy: -521.941
where: short stacking energy: -226.407
Base-Backbone interact. energy: 0.489
local terms energy: -294.194534
where:
bonds (distance) C4'-P energy: -68.452
bonds (distance) P-C4' energy: -70.918
flat angles C4'-P-C4' energy: -62.744
flat angles P-C4'-P energy: -49.036
tors. eta vs tors. theta energy: -43.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 104
Temperature: 1.250000
Total energy: -732.816139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -732.816139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -732.816139 (E_RNA)
where:
Base-Base interactions energy: -446.431
where: short stacking energy: -226.390
Base-Backbone interact. energy: 0.142
local terms energy: -286.526441
where:
bonds (distance) C4'-P energy: -61.722
bonds (distance) P-C4' energy: -61.282
flat angles C4'-P-C4' energy: -71.923
flat angles P-C4'-P energy: -43.888
tors. eta vs tors. theta energy: -47.712
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: 7
=====================================
Write number: 104
Temperature: 1.300000
Total energy: -473.508279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.508279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.508279 (E_RNA)
where:
Base-Base interactions energy: -221.218
where: short stacking energy: -128.653
Base-Backbone interact. energy: -0.762
local terms energy: -251.528018
where:
bonds (distance) C4'-P energy: -68.333
bonds (distance) P-C4' energy: -68.289
flat angles C4'-P-C4' energy: -68.027
flat angles P-C4'-P energy: -38.328
tors. eta vs tors. theta energy: -8.551
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: 4
=====================================
Write number: 104
Temperature: 1.350000
Total energy: -411.745240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.745240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.745240 (E_RNA)
where:
Base-Base interactions energy: -200.076
where: short stacking energy: -109.501
Base-Backbone interact. energy: 0.704
local terms energy: -212.373348
where:
bonds (distance) C4'-P energy: -64.193
bonds (distance) P-C4' energy: -58.597
flat angles C4'-P-C4' energy: -40.004
flat angles P-C4'-P energy: -46.310
tors. eta vs tors. theta energy: -3.269
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: 8
=====================================
Write number: 105
Temperature: 0.900000
Total energy: -1333.361326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1333.361326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1333.361326 (E_RNA)
where:
Base-Base interactions energy: -926.104
where: short stacking energy: -376.509
Base-Backbone interact. energy: 0.927
local terms energy: -408.184698
where:
bonds (distance) C4'-P energy: -70.100
bonds (distance) P-C4' energy: -83.250
flat angles C4'-P-C4' energy: -84.284
flat angles P-C4'-P energy: -60.805
tors. eta vs tors. theta energy: -109.745
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: 105
Temperature: 0.950000
Total energy: -1301.842554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1301.842554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1301.842554 (E_RNA)
where:
Base-Base interactions energy: -910.480
where: short stacking energy: -374.932
Base-Backbone interact. energy: -0.382
local terms energy: -390.980025
where:
bonds (distance) C4'-P energy: -72.770
bonds (distance) P-C4' energy: -75.544
flat angles C4'-P-C4' energy: -79.442
flat angles P-C4'-P energy: -60.391
tors. eta vs tors. theta energy: -102.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 105
Temperature: 1.000000
Total energy: -1176.300255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1176.300255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1176.300255 (E_RNA)
where:
Base-Base interactions energy: -803.268
where: short stacking energy: -344.667
Base-Backbone interact. energy: -2.890
local terms energy: -370.142169
where:
bonds (distance) C4'-P energy: -65.844
bonds (distance) P-C4' energy: -75.079
flat angles C4'-P-C4' energy: -78.733
flat angles P-C4'-P energy: -54.035
tors. eta vs tors. theta energy: -96.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 105
Temperature: 1.050000
Total energy: -1121.067773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1121.067773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1121.067773 (E_RNA)
where:
Base-Base interactions energy: -740.956
where: short stacking energy: -347.748
Base-Backbone interact. energy: -1.208
local terms energy: -378.904282
where:
bonds (distance) C4'-P energy: -76.744
bonds (distance) P-C4' energy: -69.586
flat angles C4'-P-C4' energy: -87.473
flat angles P-C4'-P energy: -45.492
tors. eta vs tors. theta energy: -99.609
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: 5, replica: 1
=====================================
Write number: 105
Temperature: 1.100000
Total energy: -1150.037018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1150.037018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1150.037018 (E_RNA)
where:
Base-Base interactions energy: -784.393
where: short stacking energy: -349.761
Base-Backbone interact. energy: -1.123
local terms energy: -364.716217
where:
bonds (distance) C4'-P energy: -73.435
bonds (distance) P-C4' energy: -76.315
flat angles C4'-P-C4' energy: -83.811
flat angles P-C4'-P energy: -41.756
tors. eta vs tors. theta energy: -89.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.196 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 105
Temperature: 1.150000
Total energy: -897.586871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -897.586871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -897.586871 (E_RNA)
where:
Base-Base interactions energy: -589.695
where: short stacking energy: -270.548
Base-Backbone interact. energy: -0.022
local terms energy: -307.869372
where:
bonds (distance) C4'-P energy: -60.891
bonds (distance) P-C4' energy: -65.721
flat angles C4'-P-C4' energy: -65.560
flat angles P-C4'-P energy: -53.896
tors. eta vs tors. theta energy: -61.801
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: 6
=====================================
Write number: 105
Temperature: 1.200000
Total energy: -827.599329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -827.599329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -827.599329 (E_RNA)
where:
Base-Base interactions energy: -544.035
where: short stacking energy: -253.855
Base-Backbone interact. energy: 4.761
local terms energy: -288.325740
where:
bonds (distance) C4'-P energy: -52.707
bonds (distance) P-C4' energy: -71.769
flat angles C4'-P-C4' energy: -68.394
flat angles P-C4'-P energy: -45.145
tors. eta vs tors. theta energy: -50.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 105
Temperature: 1.250000
Total energy: -698.968659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -698.968659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -698.968659 (E_RNA)
where:
Base-Base interactions energy: -418.081
where: short stacking energy: -204.948
Base-Backbone interact. energy: -0.234
local terms energy: -280.654237
where:
bonds (distance) C4'-P energy: -67.797
bonds (distance) P-C4' energy: -75.899
flat angles C4'-P-C4' energy: -59.886
flat angles P-C4'-P energy: -46.356
tors. eta vs tors. theta energy: -30.717
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: 9, replica: 7
=====================================
Write number: 105
Temperature: 1.300000
Total energy: -576.777104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -576.777104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -576.777104 (E_RNA)
where:
Base-Base interactions energy: -350.422
where: short stacking energy: -160.719
Base-Backbone interact. energy: 2.493
local terms energy: -228.848725
where:
bonds (distance) C4'-P energy: -52.873
bonds (distance) P-C4' energy: -62.252
flat angles C4'-P-C4' energy: -66.019
flat angles P-C4'-P energy: -33.903
tors. eta vs tors. theta energy: -13.803
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: 10, replica: 4
=====================================
Write number: 105
Temperature: 1.350000
Total energy: -302.525640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.525640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.525640 (E_RNA)
where:
Base-Base interactions energy: -121.966
where: short stacking energy: -91.339
Base-Backbone interact. energy: 2.112
local terms energy: -182.670786
where:
bonds (distance) C4'-P energy: -62.704
bonds (distance) P-C4' energy: -51.540
flat angles C4'-P-C4' energy: -48.211
flat angles P-C4'-P energy: -24.226
tors. eta vs tors. theta energy: 4.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 106
Temperature: 0.900000
Total energy: -1352.777993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1352.777993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1352.777993 (E_RNA)
where:
Base-Base interactions energy: -940.140
where: short stacking energy: -368.993
Base-Backbone interact. energy: -2.477
local terms energy: -410.160735
where:
bonds (distance) C4'-P energy: -72.220
bonds (distance) P-C4' energy: -85.170
flat angles C4'-P-C4' energy: -82.010
flat angles P-C4'-P energy: -61.689
tors. eta vs tors. theta energy: -109.071
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: 106
Temperature: 0.950000
Total energy: -1308.364537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1308.364537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1308.364537 (E_RNA)
where:
Base-Base interactions energy: -903.981
where: short stacking energy: -381.145
Base-Backbone interact. energy: 1.504
local terms energy: -405.888061
where:
bonds (distance) C4'-P energy: -66.329
bonds (distance) P-C4' energy: -75.579
flat angles C4'-P-C4' energy: -86.751
flat angles P-C4'-P energy: -62.920
tors. eta vs tors. theta energy: -114.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 106
Temperature: 1.000000
Total energy: -1196.627861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1196.627861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1196.627861 (E_RNA)
where:
Base-Base interactions energy: -801.169
where: short stacking energy: -343.182
Base-Backbone interact. energy: -2.811
local terms energy: -392.647172
where:
bonds (distance) C4'-P energy: -77.860
bonds (distance) P-C4' energy: -72.223
flat angles C4'-P-C4' energy: -89.785
flat angles P-C4'-P energy: -58.713
tors. eta vs tors. theta energy: -94.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 106
Temperature: 1.050000
Total energy: -1123.895066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1123.895066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1123.895066 (E_RNA)
where:
Base-Base interactions energy: -749.286
where: short stacking energy: -337.279
Base-Backbone interact. energy: -3.190
local terms energy: -371.418962
where:
bonds (distance) C4'-P energy: -78.561
bonds (distance) P-C4' energy: -77.696
flat angles C4'-P-C4' energy: -83.944
flat angles P-C4'-P energy: -46.787
tors. eta vs tors. theta energy: -84.431
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: 106
Temperature: 1.100000
Total energy: -1141.742734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1141.742734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1141.742734 (E_RNA)
where:
Base-Base interactions energy: -778.659
where: short stacking energy: -335.554
Base-Backbone interact. energy: -1.186
local terms energy: -361.897428
where:
bonds (distance) C4'-P energy: -75.186
bonds (distance) P-C4' energy: -79.134
flat angles C4'-P-C4' energy: -75.421
flat angles P-C4'-P energy: -38.713
tors. eta vs tors. theta energy: -93.443
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: 5
=====================================
Write number: 106
Temperature: 1.150000
Total energy: -918.974518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -918.974518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -918.974518 (E_RNA)
where:
Base-Base interactions energy: -628.167
where: short stacking energy: -266.735
Base-Backbone interact. energy: -2.103
local terms energy: -288.704216
where:
bonds (distance) C4'-P energy: -51.089
bonds (distance) P-C4' energy: -66.400
flat angles C4'-P-C4' energy: -78.451
flat angles P-C4'-P energy: -41.735
tors. eta vs tors. theta energy: -51.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 106
Temperature: 1.200000
Total energy: -866.822634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -866.822634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -866.822634 (E_RNA)
where:
Base-Base interactions energy: -559.952
where: short stacking energy: -247.088
Base-Backbone interact. energy: -2.158
local terms energy: -305.829102
where:
bonds (distance) C4'-P energy: -60.824
bonds (distance) P-C4' energy: -71.737
flat angles C4'-P-C4' energy: -70.285
flat angles P-C4'-P energy: -42.870
tors. eta vs tors. theta energy: -60.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.117 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 106
Temperature: 1.250000
Total energy: -704.469907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -704.469907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -704.469907 (E_RNA)
where:
Base-Base interactions energy: -444.645
where: short stacking energy: -222.729
Base-Backbone interact. energy: 1.177
local terms energy: -261.002395
where:
bonds (distance) C4'-P energy: -71.238
bonds (distance) P-C4' energy: -63.640
flat angles C4'-P-C4' energy: -60.145
flat angles P-C4'-P energy: -28.627
tors. eta vs tors. theta energy: -37.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 106
Temperature: 1.300000
Total energy: -642.384492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -642.384492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -642.384492 (E_RNA)
where:
Base-Base interactions energy: -368.175
where: short stacking energy: -169.691
Base-Backbone interact. energy: 0.022
local terms energy: -274.231431
where:
bonds (distance) C4'-P energy: -67.106
bonds (distance) P-C4' energy: -67.143
flat angles C4'-P-C4' energy: -74.003
flat angles P-C4'-P energy: -47.033
tors. eta vs tors. theta energy: -18.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 106
Temperature: 1.350000
Total energy: -325.874129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.874129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.874129 (E_RNA)
where:
Base-Base interactions energy: -98.440
where: short stacking energy: -88.001
Base-Backbone interact. energy: 0.542
local terms energy: -227.975897
where:
bonds (distance) C4'-P energy: -59.624
bonds (distance) P-C4' energy: -65.288
flat angles C4'-P-C4' energy: -66.201
flat angles P-C4'-P energy: -48.959
tors. eta vs tors. theta energy: 12.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 107
Temperature: 0.900000
Total energy: -1318.433671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1318.433671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1318.433671 (E_RNA)
where:
Base-Base interactions energy: -917.331
where: short stacking energy: -367.867
Base-Backbone interact. energy: -3.081
local terms energy: -398.021100
where:
bonds (distance) C4'-P energy: -71.267
bonds (distance) P-C4' energy: -85.107
flat angles C4'-P-C4' energy: -86.623
flat angles P-C4'-P energy: -51.780
tors. eta vs tors. theta energy: -103.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 107
Temperature: 0.950000
Total energy: -1275.521116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1275.521116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1275.521116 (E_RNA)
where:
Base-Base interactions energy: -864.082
where: short stacking energy: -377.203
Base-Backbone interact. energy: -1.056
local terms energy: -410.382980
where:
bonds (distance) C4'-P energy: -76.021
bonds (distance) P-C4' energy: -70.381
flat angles C4'-P-C4' energy: -88.077
flat angles P-C4'-P energy: -70.107
tors. eta vs tors. theta energy: -105.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 107
Temperature: 1.000000
Total energy: -1197.110879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1197.110879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1197.110879 (E_RNA)
where:
Base-Base interactions energy: -838.353
where: short stacking energy: -349.745
Base-Backbone interact. energy: -3.071
local terms energy: -355.687247
where:
bonds (distance) C4'-P energy: -64.330
bonds (distance) P-C4' energy: -74.453
flat angles C4'-P-C4' energy: -75.736
flat angles P-C4'-P energy: -55.877
tors. eta vs tors. theta energy: -85.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 107
Temperature: 1.050000
Total energy: -1124.101986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1124.101986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1124.101986 (E_RNA)
where:
Base-Base interactions energy: -753.116
where: short stacking energy: -324.633
Base-Backbone interact. energy: -0.864
local terms energy: -370.122348
where:
bonds (distance) C4'-P energy: -72.788
bonds (distance) P-C4' energy: -69.727
flat angles C4'-P-C4' energy: -84.959
flat angles P-C4'-P energy: -58.521
tors. eta vs tors. theta energy: -84.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 107
Temperature: 1.100000
Total energy: -1117.892200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1117.892200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1117.892200 (E_RNA)
where:
Base-Base interactions energy: -748.640
where: short stacking energy: -309.075
Base-Backbone interact. energy: 1.954
local terms energy: -371.205951
where:
bonds (distance) C4'-P energy: -77.452
bonds (distance) P-C4' energy: -72.583
flat angles C4'-P-C4' energy: -80.724
flat angles P-C4'-P energy: -52.591
tors. eta vs tors. theta energy: -87.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 107
Temperature: 1.150000
Total energy: -892.797180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -892.797180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -892.797180 (E_RNA)
where:
Base-Base interactions energy: -573.613
where: short stacking energy: -260.396
Base-Backbone interact. energy: -3.439
local terms energy: -316.599909
where:
bonds (distance) C4'-P energy: -77.928
bonds (distance) P-C4' energy: -76.306
flat angles C4'-P-C4' energy: -65.222
flat angles P-C4'-P energy: -43.612
tors. eta vs tors. theta energy: -53.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.854 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 107
Temperature: 1.200000
Total energy: -892.781744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -892.781744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -892.781744 (E_RNA)
where:
Base-Base interactions energy: -557.520
where: short stacking energy: -251.441
Base-Backbone interact. energy: -0.817
local terms energy: -334.444692
where:
bonds (distance) C4'-P energy: -67.194
bonds (distance) P-C4' energy: -71.394
flat angles C4'-P-C4' energy: -81.612
flat angles P-C4'-P energy: -55.780
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: 8, replica: 9
=====================================
Write number: 107
Temperature: 1.250000
Total energy: -722.157523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -722.157523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -722.157523 (E_RNA)
where:
Base-Base interactions energy: -456.502
where: short stacking energy: -201.893
Base-Backbone interact. energy: -1.785
local terms energy: -263.871053
where:
bonds (distance) C4'-P energy: -58.090
bonds (distance) P-C4' energy: -65.841
flat angles C4'-P-C4' energy: -68.512
flat angles P-C4'-P energy: -40.000
tors. eta vs tors. theta energy: -31.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 107
Temperature: 1.300000
Total energy: -665.983243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -665.983243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -665.983243 (E_RNA)
where:
Base-Base interactions energy: -411.196
where: short stacking energy: -186.018
Base-Backbone interact. energy: 5.354
local terms energy: -260.141440
where:
bonds (distance) C4'-P energy: -60.188
bonds (distance) P-C4' energy: -72.929
flat angles C4'-P-C4' energy: -59.218
flat angles P-C4'-P energy: -43.343
tors. eta vs tors. theta energy: -24.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 107
Temperature: 1.350000
Total energy: -325.265442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.265442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.265442 (E_RNA)
where:
Base-Base interactions energy: -133.509
where: short stacking energy: -111.641
Base-Backbone interact. energy: 0.174
local terms energy: -191.931181
where:
bonds (distance) C4'-P energy: -63.923
bonds (distance) P-C4' energy: -64.259
flat angles C4'-P-C4' energy: -42.733
flat angles P-C4'-P energy: -23.845
tors. eta vs tors. theta energy: 2.829
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: 8
=====================================
Write number: 108
Temperature: 0.900000
Total energy: -1339.059851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1339.059851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1339.059851 (E_RNA)
where:
Base-Base interactions energy: -938.620
where: short stacking energy: -374.007
Base-Backbone interact. energy: -2.543
local terms energy: -397.896217
where:
bonds (distance) C4'-P energy: -79.003
bonds (distance) P-C4' energy: -68.647
flat angles C4'-P-C4' energy: -83.935
flat angles P-C4'-P energy: -55.080
tors. eta vs tors. theta energy: -111.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 108
Temperature: 0.950000
Total energy: -1266.708196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1266.708196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1266.708196 (E_RNA)
where:
Base-Base interactions energy: -862.805
where: short stacking energy: -364.555
Base-Backbone interact. energy: 0.491
local terms energy: -404.394269
where:
bonds (distance) C4'-P energy: -74.635
bonds (distance) P-C4' energy: -76.812
flat angles C4'-P-C4' energy: -86.903
flat angles P-C4'-P energy: -60.229
tors. eta vs tors. theta energy: -105.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 108
Temperature: 1.000000
Total energy: -1215.699275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1215.699275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1215.699275 (E_RNA)
where:
Base-Base interactions energy: -822.509
where: short stacking energy: -352.547
Base-Backbone interact. energy: -3.091
local terms energy: -390.099939
where:
bonds (distance) C4'-P energy: -56.711
bonds (distance) P-C4' energy: -86.102
flat angles C4'-P-C4' energy: -78.928
flat angles P-C4'-P energy: -64.874
tors. eta vs tors. theta energy: -103.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 108
Temperature: 1.050000
Total energy: -1103.405762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1103.405762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1103.405762 (E_RNA)
where:
Base-Base interactions energy: -746.003
where: short stacking energy: -328.100
Base-Backbone interact. energy: 4.918
local terms energy: -362.320578
where:
bonds (distance) C4'-P energy: -68.749
bonds (distance) P-C4' energy: -76.479
flat angles C4'-P-C4' energy: -77.694
flat angles P-C4'-P energy: -53.209
tors. eta vs tors. theta energy: -86.189
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: 1
=====================================
Write number: 108
Temperature: 1.100000
Total energy: -1089.137037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1089.137037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1089.137037 (E_RNA)
where:
Base-Base interactions energy: -745.612
where: short stacking energy: -315.866
Base-Backbone interact. energy: -4.121
local terms energy: -339.552834
where:
bonds (distance) C4'-P energy: -72.748
bonds (distance) P-C4' energy: -66.862
flat angles C4'-P-C4' energy: -76.873
flat angles P-C4'-P energy: -42.605
tors. eta vs tors. theta energy: -80.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.148 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 108
Temperature: 1.150000
Total energy: -875.985699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -875.985699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -875.985699 (E_RNA)
where:
Base-Base interactions energy: -570.468
where: short stacking energy: -238.223
Base-Backbone interact. energy: -2.774
local terms energy: -302.891607
where:
bonds (distance) C4'-P energy: -70.305
bonds (distance) P-C4' energy: -49.442
flat angles C4'-P-C4' energy: -82.049
flat angles P-C4'-P energy: -47.343
tors. eta vs tors. theta energy: -53.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.148 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 108
Temperature: 1.200000
Total energy: -883.775822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -883.775822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -883.775822 (E_RNA)
where:
Base-Base interactions energy: -582.966
where: short stacking energy: -242.120
Base-Backbone interact. energy: -1.561
local terms energy: -299.248710
where:
bonds (distance) C4'-P energy: -67.970
bonds (distance) P-C4' energy: -66.555
flat angles C4'-P-C4' energy: -53.905
flat angles P-C4'-P energy: -41.874
tors. eta vs tors. theta energy: -68.944
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: 9
=====================================
Write number: 108
Temperature: 1.250000
Total energy: -699.836406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -699.836406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -699.836406 (E_RNA)
where:
Base-Base interactions energy: -423.232
where: short stacking energy: -216.881
Base-Backbone interact. energy: 14.918
local terms energy: -291.521839
where:
bonds (distance) C4'-P energy: -75.224
bonds (distance) P-C4' energy: -73.224
flat angles C4'-P-C4' energy: -57.636
flat angles P-C4'-P energy: -49.713
tors. eta vs tors. theta energy: -35.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 108
Temperature: 1.300000
Total energy: -667.418108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -667.418108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -667.418108 (E_RNA)
where:
Base-Base interactions energy: -434.229
where: short stacking energy: -186.268
Base-Backbone interact. energy: 2.326
local terms energy: -235.515244
where:
bonds (distance) C4'-P energy: -56.235
bonds (distance) P-C4' energy: -67.617
flat angles C4'-P-C4' energy: -58.556
flat angles P-C4'-P energy: -40.341
tors. eta vs tors. theta energy: -12.767
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: 4
=====================================
Write number: 108
Temperature: 1.350000
Total energy: -331.089105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.089105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.089105 (E_RNA)
where:
Base-Base interactions energy: -114.646
where: short stacking energy: -77.239
Base-Backbone interact. energy: -1.462
local terms energy: -214.981646
where:
bonds (distance) C4'-P energy: -56.809
bonds (distance) P-C4' energy: -68.706
flat angles C4'-P-C4' energy: -61.770
flat angles P-C4'-P energy: -38.966
tors. eta vs tors. theta energy: 11.269
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: 8
=====================================
Write number: 109
Temperature: 0.900000
Total energy: -1333.224901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1333.224901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1333.224901 (E_RNA)
where:
Base-Base interactions energy: -924.558
where: short stacking energy: -394.170
Base-Backbone interact. energy: -2.528
local terms energy: -407.159558
where:
bonds (distance) C4'-P energy: -86.564
bonds (distance) P-C4' energy: -77.523
flat angles C4'-P-C4' energy: -79.565
flat angles P-C4'-P energy: -51.511
tors. eta vs tors. theta energy: -111.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.020 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 109
Temperature: 0.950000
Total energy: -1317.057941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1317.057941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1317.057941 (E_RNA)
where:
Base-Base interactions energy: -900.279
where: short stacking energy: -369.493
Base-Backbone interact. energy: -2.242
local terms energy: -414.537238
where:
bonds (distance) C4'-P energy: -71.998
bonds (distance) P-C4' energy: -81.578
flat angles C4'-P-C4' energy: -91.538
flat angles P-C4'-P energy: -62.160
tors. eta vs tors. theta energy: -107.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 109
Temperature: 1.000000
Total energy: -1197.220848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1197.220848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1197.220848 (E_RNA)
where:
Base-Base interactions energy: -816.101
where: short stacking energy: -348.637
Base-Backbone interact. energy: -3.087
local terms energy: -378.032835
where:
bonds (distance) C4'-P energy: -81.019
bonds (distance) P-C4' energy: -73.692
flat angles C4'-P-C4' energy: -77.679
flat angles P-C4'-P energy: -53.687
tors. eta vs tors. theta energy: -91.957
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: 1
=====================================
Write number: 109
Temperature: 1.050000
Total energy: -1128.144147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1128.144147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1128.144147 (E_RNA)
where:
Base-Base interactions energy: -756.857
where: short stacking energy: -343.380
Base-Backbone interact. energy: -1.127
local terms energy: -370.160641
where:
bonds (distance) C4'-P energy: -69.103
bonds (distance) P-C4' energy: -74.884
flat angles C4'-P-C4' energy: -85.268
flat angles P-C4'-P energy: -54.631
tors. eta vs tors. theta energy: -86.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 109
Temperature: 1.100000
Total energy: -1063.073200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1063.073200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1063.073200 (E_RNA)
where:
Base-Base interactions energy: -721.052
where: short stacking energy: -327.388
Base-Backbone interact. energy: -0.289
local terms energy: -341.732408
where:
bonds (distance) C4'-P energy: -69.198
bonds (distance) P-C4' energy: -68.335
flat angles C4'-P-C4' energy: -64.514
flat angles P-C4'-P energy: -53.423
tors. eta vs tors. theta energy: -86.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 109
Temperature: 1.150000
Total energy: -889.327420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -889.327420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -889.327420 (E_RNA)
where:
Base-Base interactions energy: -568.829
where: short stacking energy: -242.789
Base-Backbone interact. energy: 0.599
local terms energy: -321.097453
where:
bonds (distance) C4'-P energy: -73.747
bonds (distance) P-C4' energy: -65.839
flat angles C4'-P-C4' energy: -75.671
flat angles P-C4'-P energy: -44.689
tors. eta vs tors. theta energy: -61.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 109
Temperature: 1.200000
Total energy: -852.810562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -852.810562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -852.810562 (E_RNA)
where:
Base-Base interactions energy: -545.165
where: short stacking energy: -234.000
Base-Backbone interact. energy: -3.526
local terms energy: -304.118656
where:
bonds (distance) C4'-P energy: -67.890
bonds (distance) P-C4' energy: -72.810
flat angles C4'-P-C4' energy: -76.080
flat angles P-C4'-P energy: -35.824
tors. eta vs tors. theta energy: -51.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 109
Temperature: 1.250000
Total energy: -765.445843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -765.445843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -765.445843 (E_RNA)
where:
Base-Base interactions energy: -503.164
where: short stacking energy: -246.873
Base-Backbone interact. energy: -0.398
local terms energy: -261.883560
where:
bonds (distance) C4'-P energy: -57.103
bonds (distance) P-C4' energy: -54.757
flat angles C4'-P-C4' energy: -75.071
flat angles P-C4'-P energy: -31.077
tors. eta vs tors. theta energy: -43.876
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 109
Temperature: 1.300000
Total energy: -677.644366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -677.644366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -677.644366 (E_RNA)
where:
Base-Base interactions energy: -421.104
where: short stacking energy: -186.662
Base-Backbone interact. energy: 0.656
local terms energy: -257.196428
where:
bonds (distance) C4'-P energy: -65.469
bonds (distance) P-C4' energy: -57.430
flat angles C4'-P-C4' energy: -67.023
flat angles P-C4'-P energy: -36.533
tors. eta vs tors. theta energy: -30.741
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: 10, replica: 4
=====================================
Write number: 109
Temperature: 1.350000
Total energy: -333.536221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.536221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.536221 (E_RNA)
where:
Base-Base interactions energy: -145.800
where: short stacking energy: -104.966
Base-Backbone interact. energy: -3.253
local terms energy: -184.483223
where:
bonds (distance) C4'-P energy: -56.415
bonds (distance) P-C4' energy: -73.603
flat angles C4'-P-C4' energy: -45.419
flat angles P-C4'-P energy: -26.588
tors. eta vs tors. theta energy: 17.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 110
Temperature: 0.900000
Total energy: -1346.564023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1346.564023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1346.564023 (E_RNA)
where:
Base-Base interactions energy: -916.910
where: short stacking energy: -401.004
Base-Backbone interact. energy: 0.322
local terms energy: -429.976010
where:
bonds (distance) C4'-P energy: -83.341
bonds (distance) P-C4' energy: -83.375
flat angles C4'-P-C4' energy: -89.510
flat angles P-C4'-P energy: -67.011
tors. eta vs tors. theta energy: -106.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 110
Temperature: 0.950000
Total energy: -1273.217329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1273.217329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1273.217329 (E_RNA)
where:
Base-Base interactions energy: -894.148
where: short stacking energy: -363.148
Base-Backbone interact. energy: 0.368
local terms energy: -379.436697
where:
bonds (distance) C4'-P energy: -59.625
bonds (distance) P-C4' energy: -80.751
flat angles C4'-P-C4' energy: -81.128
flat angles P-C4'-P energy: -54.298
tors. eta vs tors. theta energy: -103.635
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: 2
=====================================
Write number: 110
Temperature: 1.000000
Total energy: -1231.687292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1231.687292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1231.687292 (E_RNA)
where:
Base-Base interactions energy: -843.946
where: short stacking energy: -339.360
Base-Backbone interact. energy: -0.282
local terms energy: -387.459290
where:
bonds (distance) C4'-P energy: -74.334
bonds (distance) P-C4' energy: -82.612
flat angles C4'-P-C4' energy: -85.951
flat angles P-C4'-P energy: -47.321
tors. eta vs tors. theta energy: -97.241
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: 110
Temperature: 1.050000
Total energy: -1110.426362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1110.426362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1110.426362 (E_RNA)
where:
Base-Base interactions energy: -748.986
where: short stacking energy: -287.228
Base-Backbone interact. energy: -1.652
local terms energy: -360.757831
where:
bonds (distance) C4'-P energy: -74.898
bonds (distance) P-C4' energy: -75.538
flat angles C4'-P-C4' energy: -81.174
flat angles P-C4'-P energy: -51.856
tors. eta vs tors. theta energy: -77.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.970 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 110
Temperature: 1.100000
Total energy: -1087.633174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1087.633174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1087.633174 (E_RNA)
where:
Base-Base interactions energy: -729.644
where: short stacking energy: -313.425
Base-Backbone interact. energy: -2.575
local terms energy: -355.414522
where:
bonds (distance) C4'-P energy: -60.568
bonds (distance) P-C4' energy: -73.356
flat angles C4'-P-C4' energy: -84.608
flat angles P-C4'-P energy: -57.443
tors. eta vs tors. theta energy: -79.439
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: 5
=====================================
Write number: 110
Temperature: 1.150000
Total energy: -965.642641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -965.642641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -965.642641 (E_RNA)
where:
Base-Base interactions energy: -639.092
where: short stacking energy: -271.396
Base-Backbone interact. energy: 0.835
local terms energy: -327.386083
where:
bonds (distance) C4'-P energy: -59.784
bonds (distance) P-C4' energy: -68.180
flat angles C4'-P-C4' energy: -81.623
flat angles P-C4'-P energy: -55.165
tors. eta vs tors. theta energy: -62.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 110
Temperature: 1.200000
Total energy: -757.482685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -757.482685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -757.482685 (E_RNA)
where:
Base-Base interactions energy: -489.421
where: short stacking energy: -225.840
Base-Backbone interact. energy: 0.304
local terms energy: -268.365812
where:
bonds (distance) C4'-P energy: -54.447
bonds (distance) P-C4' energy: -59.264
flat angles C4'-P-C4' energy: -64.872
flat angles P-C4'-P energy: -43.229
tors. eta vs tors. theta energy: -46.554
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: 6
=====================================
Write number: 110
Temperature: 1.250000
Total energy: -802.950909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -802.950909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -802.950909 (E_RNA)
where:
Base-Base interactions energy: -518.433
where: short stacking energy: -212.178
Base-Backbone interact. energy: -1.932
local terms energy: -283.561519
where:
bonds (distance) C4'-P energy: -52.348
bonds (distance) P-C4' energy: -68.806
flat angles C4'-P-C4' energy: -75.212
flat angles P-C4'-P energy: -48.000
tors. eta vs tors. theta energy: -39.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.976 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 110
Temperature: 1.300000
Total energy: -679.643122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -679.643122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -679.643122 (E_RNA)
where:
Base-Base interactions energy: -429.126
where: short stacking energy: -169.263
Base-Backbone interact. energy: 1.853
local terms energy: -252.369925
where:
bonds (distance) C4'-P energy: -68.226
bonds (distance) P-C4' energy: -66.737
flat angles C4'-P-C4' energy: -47.930
flat angles P-C4'-P energy: -42.549
tors. eta vs tors. theta energy: -26.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 110
Temperature: 1.350000
Total energy: -310.610143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.610143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.610143 (E_RNA)
where:
Base-Base interactions energy: -101.631
where: short stacking energy: -99.017
Base-Backbone interact. energy: -1.278
local terms energy: -207.701050
where:
bonds (distance) C4'-P energy: -61.891
bonds (distance) P-C4' energy: -67.604
flat angles C4'-P-C4' energy: -49.321
flat angles P-C4'-P energy: -43.716
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: 1, replica: 3
=====================================
Write number: 111
Temperature: 0.900000
Total energy: -1363.701861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1363.701861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1363.701861 (E_RNA)
where:
Base-Base interactions energy: -950.775
where: short stacking energy: -406.634
Base-Backbone interact. energy: 3.108
local terms energy: -416.035247
where:
bonds (distance) C4'-P energy: -77.492
bonds (distance) P-C4' energy: -78.319
flat angles C4'-P-C4' energy: -86.768
flat angles P-C4'-P energy: -55.605
tors. eta vs tors. theta energy: -117.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 111
Temperature: 0.950000
Total energy: -1274.243104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1274.243104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1274.243104 (E_RNA)
where:
Base-Base interactions energy: -890.205
where: short stacking energy: -336.155
Base-Backbone interact. energy: -2.378
local terms energy: -381.660186
where:
bonds (distance) C4'-P energy: -67.354
bonds (distance) P-C4' energy: -74.160
flat angles C4'-P-C4' energy: -84.205
flat angles P-C4'-P energy: -54.202
tors. eta vs tors. theta energy: -101.740
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: 2
=====================================
Write number: 111
Temperature: 1.000000
Total energy: -1237.901633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1237.901633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1237.901633 (E_RNA)
where:
Base-Base interactions energy: -841.847
where: short stacking energy: -362.231
Base-Backbone interact. energy: -4.521
local terms energy: -391.533788
where:
bonds (distance) C4'-P energy: -71.135
bonds (distance) P-C4' energy: -73.801
flat angles C4'-P-C4' energy: -86.723
flat angles P-C4'-P energy: -55.230
tors. eta vs tors. theta energy: -104.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 111
Temperature: 1.050000
Total energy: -1145.812341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1145.812341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1145.812341 (E_RNA)
where:
Base-Base interactions energy: -784.393
where: short stacking energy: -360.018
Base-Backbone interact. energy: -1.046
local terms energy: -360.373855
where:
bonds (distance) C4'-P energy: -70.448
bonds (distance) P-C4' energy: -72.469
flat angles C4'-P-C4' energy: -75.197
flat angles P-C4'-P energy: -51.330
tors. eta vs tors. theta energy: -90.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 111
Temperature: 1.100000
Total energy: -1118.005025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1118.005025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1118.005025 (E_RNA)
where:
Base-Base interactions energy: -754.432
where: short stacking energy: -337.155
Base-Backbone interact. energy: -1.329
local terms energy: -362.249235
where:
bonds (distance) C4'-P energy: -58.929
bonds (distance) P-C4' energy: -65.148
flat angles C4'-P-C4' energy: -83.185
flat angles P-C4'-P energy: -54.390
tors. eta vs tors. theta energy: -100.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.005 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 111
Temperature: 1.150000
Total energy: -1061.896635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1061.896635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1061.896635 (E_RNA)
where:
Base-Base interactions energy: -730.728
where: short stacking energy: -307.702
Base-Backbone interact. energy: -0.053
local terms energy: -331.116310
where:
bonds (distance) C4'-P energy: -57.993
bonds (distance) P-C4' energy: -75.702
flat angles C4'-P-C4' energy: -61.899
flat angles P-C4'-P energy: -53.384
tors. eta vs tors. theta energy: -82.138
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: 7
=====================================
Write number: 111
Temperature: 1.200000
Total energy: -762.155594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -762.155594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -762.155594 (E_RNA)
where:
Base-Base interactions energy: -491.380
where: short stacking energy: -210.234
Base-Backbone interact. energy: -1.380
local terms energy: -269.904119
where:
bonds (distance) C4'-P energy: -62.124
bonds (distance) P-C4' energy: -55.497
flat angles C4'-P-C4' energy: -65.682
flat angles P-C4'-P energy: -38.720
tors. eta vs tors. theta energy: -47.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.509 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 111
Temperature: 1.250000
Total energy: -846.065662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -846.065662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -846.065662 (E_RNA)
where:
Base-Base interactions energy: -573.420
where: short stacking energy: -230.149
Base-Backbone interact. energy: 0.917
local terms energy: -274.143453
where:
bonds (distance) C4'-P energy: -57.942
bonds (distance) P-C4' energy: -66.344
flat angles C4'-P-C4' energy: -66.707
flat angles P-C4'-P energy: -41.335
tors. eta vs tors. theta energy: -41.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.581 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 111
Temperature: 1.300000
Total energy: -683.036099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -683.036099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -683.036099 (E_RNA)
where:
Base-Base interactions energy: -404.957
where: short stacking energy: -179.231
Base-Backbone interact. energy: 2.508
local terms energy: -280.586668
where:
bonds (distance) C4'-P energy: -71.386
bonds (distance) P-C4' energy: -62.844
flat angles C4'-P-C4' energy: -68.637
flat angles P-C4'-P energy: -36.617
tors. eta vs tors. theta energy: -41.102
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: 10, replica: 4
=====================================
Write number: 111
Temperature: 1.350000
Total energy: -311.666229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.666229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.666229 (E_RNA)
where:
Base-Base interactions energy: -98.197
where: short stacking energy: -95.300
Base-Backbone interact. energy: 8.164
local terms energy: -221.632781
where:
bonds (distance) C4'-P energy: -67.799
bonds (distance) P-C4' energy: -73.489
flat angles C4'-P-C4' energy: -51.313
flat angles P-C4'-P energy: -32.167
tors. eta vs tors. theta energy: 3.135
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: 3
=====================================
Write number: 112
Temperature: 0.900000
Total energy: -1360.916269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1360.916269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1360.916269 (E_RNA)
where:
Base-Base interactions energy: -947.758
where: short stacking energy: -401.332
Base-Backbone interact. energy: -1.839
local terms energy: -411.319146
where:
bonds (distance) C4'-P energy: -69.724
bonds (distance) P-C4' energy: -81.937
flat angles C4'-P-C4' energy: -90.700
flat angles P-C4'-P energy: -58.307
tors. eta vs tors. theta energy: -110.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 112
Temperature: 0.950000
Total energy: -1297.495234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1297.495234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1297.495234 (E_RNA)
where:
Base-Base interactions energy: -908.201
where: short stacking energy: -375.269
Base-Backbone interact. energy: -2.616
local terms energy: -386.678556
where:
bonds (distance) C4'-P energy: -66.916
bonds (distance) P-C4' energy: -68.819
flat angles C4'-P-C4' energy: -88.026
flat angles P-C4'-P energy: -52.881
tors. eta vs tors. theta energy: -110.037
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: 2
=====================================
Write number: 112
Temperature: 1.000000
Total energy: -1216.010060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1216.010060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1216.010060 (E_RNA)
where:
Base-Base interactions energy: -837.766
where: short stacking energy: -348.504
Base-Backbone interact. energy: -0.265
local terms energy: -377.978717
where:
bonds (distance) C4'-P energy: -72.633
bonds (distance) P-C4' energy: -73.979
flat angles C4'-P-C4' energy: -82.182
flat angles P-C4'-P energy: -55.600
tors. eta vs tors. theta energy: -93.586
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: 10
=====================================
Write number: 112
Temperature: 1.050000
Total energy: -1126.941837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1126.941837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1126.941837 (E_RNA)
where:
Base-Base interactions energy: -739.627
where: short stacking energy: -330.023
Base-Backbone interact. energy: -1.572
local terms energy: -385.743326
where:
bonds (distance) C4'-P energy: -72.583
bonds (distance) P-C4' energy: -86.372
flat angles C4'-P-C4' energy: -80.393
flat angles P-C4'-P energy: -55.166
tors. eta vs tors. theta energy: -91.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 112
Temperature: 1.100000
Total energy: -1086.207285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1086.207285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1086.207285 (E_RNA)
where:
Base-Base interactions energy: -726.135
where: short stacking energy: -297.852
Base-Backbone interact. energy: -2.074
local terms energy: -357.997944
where:
bonds (distance) C4'-P energy: -66.948
bonds (distance) P-C4' energy: -67.991
flat angles C4'-P-C4' energy: -82.739
flat angles P-C4'-P energy: -53.538
tors. eta vs tors. theta energy: -86.782
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: 5
=====================================
Write number: 112
Temperature: 1.150000
Total energy: -1003.064575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1003.064575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1003.064575 (E_RNA)
where:
Base-Base interactions energy: -667.399
where: short stacking energy: -281.682
Base-Backbone interact. energy: -0.485
local terms energy: -335.180739
where:
bonds (distance) C4'-P energy: -71.015
bonds (distance) P-C4' energy: -65.806
flat angles C4'-P-C4' energy: -72.453
flat angles P-C4'-P energy: -56.111
tors. eta vs tors. theta energy: -69.795
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: 6
=====================================
Write number: 112
Temperature: 1.200000
Total energy: -886.494514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -886.494514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -886.494514 (E_RNA)
where:
Base-Base interactions energy: -594.383
where: short stacking energy: -244.620
Base-Backbone interact. energy: -3.695
local terms energy: -288.416103
where:
bonds (distance) C4'-P energy: -65.540
bonds (distance) P-C4' energy: -54.649
flat angles C4'-P-C4' energy: -69.966
flat angles P-C4'-P energy: -50.818
tors. eta vs tors. theta energy: -47.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 112
Temperature: 1.250000
Total energy: -728.750708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -728.750708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -728.750708 (E_RNA)
where:
Base-Base interactions energy: -453.231
where: short stacking energy: -203.565
Base-Backbone interact. energy: -1.604
local terms energy: -273.915406
where:
bonds (distance) C4'-P energy: -69.223
bonds (distance) P-C4' energy: -61.195
flat angles C4'-P-C4' energy: -72.772
flat angles P-C4'-P energy: -38.748
tors. eta vs tors. theta energy: -31.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 112
Temperature: 1.300000
Total energy: -657.784214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -657.784214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -657.784214 (E_RNA)
where:
Base-Base interactions energy: -394.154
where: short stacking energy: -167.927
Base-Backbone interact. energy: -0.080
local terms energy: -263.550070
where:
bonds (distance) C4'-P energy: -57.543
bonds (distance) P-C4' energy: -66.801
flat angles C4'-P-C4' energy: -68.326
flat angles P-C4'-P energy: -38.460
tors. eta vs tors. theta energy: -32.420
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: 4
=====================================
Write number: 112
Temperature: 1.350000
Total energy: -311.135414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.135414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.135414 (E_RNA)
where:
Base-Base interactions energy: -122.454
where: short stacking energy: -91.229
Base-Backbone interact. energy: -1.454
local terms energy: -187.271280
where:
bonds (distance) C4'-P energy: -34.384
bonds (distance) P-C4' energy: -69.906
flat angles C4'-P-C4' energy: -52.182
flat angles P-C4'-P energy: -32.119
tors. eta vs tors. theta energy: 1.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.044 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 113
Temperature: 0.900000
Total energy: -1347.361422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1347.361422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1347.361422 (E_RNA)
where:
Base-Base interactions energy: -943.560
where: short stacking energy: -406.907
Base-Backbone interact. energy: 3.684
local terms energy: -407.485356
where:
bonds (distance) C4'-P energy: -79.603
bonds (distance) P-C4' energy: -75.253
flat angles C4'-P-C4' energy: -84.181
flat angles P-C4'-P energy: -54.278
tors. eta vs tors. theta energy: -114.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 113
Temperature: 0.950000
Total energy: -1283.011867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1283.011867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1283.011867 (E_RNA)
where:
Base-Base interactions energy: -886.256
where: short stacking energy: -353.100
Base-Backbone interact. energy: -1.846
local terms energy: -394.910762
where:
bonds (distance) C4'-P energy: -68.159
bonds (distance) P-C4' energy: -71.824
flat angles C4'-P-C4' energy: -84.227
flat angles P-C4'-P energy: -60.255
tors. eta vs tors. theta energy: -110.446
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: 2
=====================================
Write number: 113
Temperature: 1.000000
Total energy: -1226.029735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1226.029735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1226.029735 (E_RNA)
where:
Base-Base interactions energy: -828.251
where: short stacking energy: -366.335
Base-Backbone interact. energy: -4.196
local terms energy: -393.583036
where:
bonds (distance) C4'-P energy: -63.923
bonds (distance) P-C4' energy: -86.876
flat angles C4'-P-C4' energy: -87.623
flat angles P-C4'-P energy: -59.864
tors. eta vs tors. theta energy: -95.297
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: 1
=====================================
Write number: 113
Temperature: 1.050000
Total energy: -1136.842446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1136.842446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1136.842446 (E_RNA)
where:
Base-Base interactions energy: -775.413
where: short stacking energy: -336.319
Base-Backbone interact. energy: -2.254
local terms energy: -359.630454
where:
bonds (distance) C4'-P energy: -54.087
bonds (distance) P-C4' energy: -80.126
flat angles C4'-P-C4' energy: -77.411
flat angles P-C4'-P energy: -54.540
tors. eta vs tors. theta energy: -93.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.455 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 113
Temperature: 1.100000
Total energy: -1106.401244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1106.401244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1106.401244 (E_RNA)
where:
Base-Base interactions energy: -753.112
where: short stacking energy: -338.368
Base-Backbone interact. energy: -2.554
local terms energy: -350.734544
where:
bonds (distance) C4'-P energy: -58.884
bonds (distance) P-C4' energy: -79.572
flat angles C4'-P-C4' energy: -78.454
flat angles P-C4'-P energy: -48.275
tors. eta vs tors. theta energy: -85.549
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: 5
=====================================
Write number: 113
Temperature: 1.150000
Total energy: -1050.074960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1050.074960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1050.074960 (E_RNA)
where:
Base-Base interactions energy: -740.291
where: short stacking energy: -309.944
Base-Backbone interact. energy: -1.227
local terms energy: -308.557213
where:
bonds (distance) C4'-P energy: -57.539
bonds (distance) P-C4' energy: -69.350
flat angles C4'-P-C4' energy: -63.755
flat angles P-C4'-P energy: -40.011
tors. eta vs tors. theta energy: -77.902
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: 6
=====================================
Write number: 113
Temperature: 1.200000
Total energy: -884.902169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -884.902169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -884.902169 (E_RNA)
where:
Base-Base interactions energy: -584.556
where: short stacking energy: -264.413
Base-Backbone interact. energy: -0.001
local terms energy: -300.345622
where:
bonds (distance) C4'-P energy: -58.633
bonds (distance) P-C4' energy: -58.047
flat angles C4'-P-C4' energy: -76.642
flat angles P-C4'-P energy: -53.478
tors. eta vs tors. theta energy: -53.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 113
Temperature: 1.250000
Total energy: -726.959521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -726.959521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -726.959521 (E_RNA)
where:
Base-Base interactions energy: -448.356
where: short stacking energy: -197.076
Base-Backbone interact. energy: 0.154
local terms energy: -278.757238
where:
bonds (distance) C4'-P energy: -57.311
bonds (distance) P-C4' energy: -72.500
flat angles C4'-P-C4' energy: -66.950
flat angles P-C4'-P energy: -47.156
tors. eta vs tors. theta energy: -34.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 113
Temperature: 1.300000
Total energy: -710.194466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -710.194466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -710.194466 (E_RNA)
where:
Base-Base interactions energy: -443.684
where: short stacking energy: -224.731
Base-Backbone interact. energy: -1.977
local terms energy: -264.533555
where:
bonds (distance) C4'-P energy: -62.133
bonds (distance) P-C4' energy: -63.922
flat angles C4'-P-C4' energy: -66.205
flat angles P-C4'-P energy: -32.639
tors. eta vs tors. theta energy: -39.634
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: 10, replica: 4
=====================================
Write number: 113
Temperature: 1.350000
Total energy: -330.031274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.031274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.031274 (E_RNA)
where:
Base-Base interactions energy: -115.288
where: short stacking energy: -106.439
Base-Backbone interact. energy: -0.075
local terms energy: -214.667887
where:
bonds (distance) C4'-P energy: -69.223
bonds (distance) P-C4' energy: -71.819
flat angles C4'-P-C4' energy: -59.682
flat angles P-C4'-P energy: -28.618
tors. eta vs tors. theta energy: 14.674
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: 114
Temperature: 0.900000
Total energy: -1330.817014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1330.817014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1330.817014 (E_RNA)
where:
Base-Base interactions energy: -914.946
where: short stacking energy: -388.010
Base-Backbone interact. energy: -1.648
local terms energy: -414.222461
where:
bonds (distance) C4'-P energy: -75.654
bonds (distance) P-C4' energy: -84.659
flat angles C4'-P-C4' energy: -76.368
flat angles P-C4'-P energy: -60.728
tors. eta vs tors. theta energy: -116.813
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: 2, replica: 8
=====================================
Write number: 114
Temperature: 0.950000
Total energy: -1261.705023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1261.705023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1261.705023 (E_RNA)
where:
Base-Base interactions energy: -858.756
where: short stacking energy: -360.233
Base-Backbone interact. energy: -3.618
local terms energy: -399.331682
where:
bonds (distance) C4'-P energy: -70.022
bonds (distance) P-C4' energy: -73.552
flat angles C4'-P-C4' energy: -90.490
flat angles P-C4'-P energy: -58.014
tors. eta vs tors. theta energy: -107.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 114
Temperature: 1.000000
Total energy: -1224.716091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1224.716091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1224.716091 (E_RNA)
where:
Base-Base interactions energy: -855.205
where: short stacking energy: -369.403
Base-Backbone interact. energy: -0.268
local terms energy: -369.242656
where:
bonds (distance) C4'-P energy: -70.506
bonds (distance) P-C4' energy: -63.198
flat angles C4'-P-C4' energy: -79.750
flat angles P-C4'-P energy: -53.186
tors. eta vs tors. theta energy: -102.602
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: 4, replica: 1
=====================================
Write number: 114
Temperature: 1.050000
Total energy: -1164.665716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1164.665716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1164.665716 (E_RNA)
where:
Base-Base interactions energy: -788.716
where: short stacking energy: -347.218
Base-Backbone interact. energy: -1.206
local terms energy: -374.743381
where:
bonds (distance) C4'-P energy: -70.984
bonds (distance) P-C4' energy: -75.027
flat angles C4'-P-C4' energy: -81.208
flat angles P-C4'-P energy: -48.634
tors. eta vs tors. theta energy: -98.890
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: 10
=====================================
Write number: 114
Temperature: 1.100000
Total energy: -1102.165020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1102.165020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1102.165020 (E_RNA)
where:
Base-Base interactions energy: -750.505
where: short stacking energy: -317.991
Base-Backbone interact. energy: -2.363
local terms energy: -349.297607
where:
bonds (distance) C4'-P energy: -60.547
bonds (distance) P-C4' energy: -75.923
flat angles C4'-P-C4' energy: -72.463
flat angles P-C4'-P energy: -45.557
tors. eta vs tors. theta energy: -94.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 114
Temperature: 1.150000
Total energy: -1071.240242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1071.240242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1071.240242 (E_RNA)
where:
Base-Base interactions energy: -746.471
where: short stacking energy: -319.576
Base-Backbone interact. energy: -1.163
local terms energy: -323.606339
where:
bonds (distance) C4'-P energy: -61.622
bonds (distance) P-C4' energy: -70.124
flat angles C4'-P-C4' energy: -64.998
flat angles P-C4'-P energy: -53.772
tors. eta vs tors. theta energy: -73.090
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: 6
=====================================
Write number: 114
Temperature: 1.200000
Total energy: -881.325612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -881.325612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -881.325612 (E_RNA)
where:
Base-Base interactions energy: -591.393
where: short stacking energy: -252.182
Base-Backbone interact. energy: -3.119
local terms energy: -288.275939
where:
bonds (distance) C4'-P energy: -71.543
bonds (distance) P-C4' energy: -61.097
flat angles C4'-P-C4' energy: -69.174
flat angles P-C4'-P energy: -37.663
tors. eta vs tors. theta energy: -48.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.462 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 114
Temperature: 1.250000
Total energy: -713.507850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -713.507850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -713.507850 (E_RNA)
where:
Base-Base interactions energy: -425.290
where: short stacking energy: -189.036
Base-Backbone interact. energy: -1.967
local terms energy: -287.351774
where:
bonds (distance) C4'-P energy: -67.581
bonds (distance) P-C4' energy: -70.592
flat angles C4'-P-C4' energy: -56.919
flat angles P-C4'-P energy: -49.640
tors. eta vs tors. theta energy: -42.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.100 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 114
Temperature: 1.300000
Total energy: -702.317724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -702.317724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -702.317724 (E_RNA)
where:
Base-Base interactions energy: -437.317
where: short stacking energy: -193.707
Base-Backbone interact. energy: 0.307
local terms energy: -265.307403
where:
bonds (distance) C4'-P energy: -72.567
bonds (distance) P-C4' energy: -63.066
flat angles C4'-P-C4' energy: -58.928
flat angles P-C4'-P energy: -35.260
tors. eta vs tors. theta energy: -35.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 114
Temperature: 1.350000
Total energy: -307.136949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.136949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.136949 (E_RNA)
where:
Base-Base interactions energy: -102.937
where: short stacking energy: -94.878
Base-Backbone interact. energy: -0.812
local terms energy: -203.387844
where:
bonds (distance) C4'-P energy: -62.117
bonds (distance) P-C4' energy: -57.500
flat angles C4'-P-C4' energy: -60.706
flat angles P-C4'-P energy: -28.554
tors. eta vs tors. theta energy: 5.489
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: 3
=====================================
Write number: 115
Temperature: 0.900000
Total energy: -1348.652680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1348.652680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1348.652680 (E_RNA)
where:
Base-Base interactions energy: -932.618
where: short stacking energy: -399.486
Base-Backbone interact. energy: -1.713
local terms energy: -414.321544
where:
bonds (distance) C4'-P energy: -72.522
bonds (distance) P-C4' energy: -85.185
flat angles C4'-P-C4' energy: -89.928
flat angles P-C4'-P energy: -50.606
tors. eta vs tors. theta energy: -116.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 115
Temperature: 0.950000
Total energy: -1285.586483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1285.586483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1285.586483 (E_RNA)
where:
Base-Base interactions energy: -890.269
where: short stacking energy: -368.394
Base-Backbone interact. energy: -1.577
local terms energy: -393.740038
where:
bonds (distance) C4'-P energy: -74.568
bonds (distance) P-C4' energy: -71.540
flat angles C4'-P-C4' energy: -86.542
flat angles P-C4'-P energy: -50.936
tors. eta vs tors. theta energy: -110.154
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: 3, replica: 2
=====================================
Write number: 115
Temperature: 1.000000
Total energy: -1239.666157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1239.666157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1239.666157 (E_RNA)
where:
Base-Base interactions energy: -849.908
where: short stacking energy: -371.978
Base-Backbone interact. energy: -2.091
local terms energy: -387.667413
where:
bonds (distance) C4'-P energy: -82.889
bonds (distance) P-C4' energy: -75.233
flat angles C4'-P-C4' energy: -72.556
flat angles P-C4'-P energy: -57.610
tors. eta vs tors. theta energy: -99.380
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: 1
=====================================
Write number: 115
Temperature: 1.050000
Total energy: -1147.915319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1147.915319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1147.915319 (E_RNA)
where:
Base-Base interactions energy: -765.241
where: short stacking energy: -335.489
Base-Backbone interact. energy: -2.079
local terms energy: -380.595387
where:
bonds (distance) C4'-P energy: -65.344
bonds (distance) P-C4' energy: -78.201
flat angles C4'-P-C4' energy: -83.759
flat angles P-C4'-P energy: -59.624
tors. eta vs tors. theta energy: -93.667
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: 10
=====================================
Write number: 115
Temperature: 1.100000
Total energy: -1087.186314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1087.186314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1087.186314 (E_RNA)
where:
Base-Base interactions energy: -740.803
where: short stacking energy: -344.403
Base-Backbone interact. energy: -0.471
local terms energy: -345.913004
where:
bonds (distance) C4'-P energy: -63.793
bonds (distance) P-C4' energy: -74.984
flat angles C4'-P-C4' energy: -73.423
flat angles P-C4'-P energy: -50.714
tors. eta vs tors. theta energy: -82.999
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: 5
=====================================
Write number: 115
Temperature: 1.150000
Total energy: -1031.391607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1031.391607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1031.391607 (E_RNA)
where:
Base-Base interactions energy: -700.234
where: short stacking energy: -288.916
Base-Backbone interact. energy: 1.933
local terms energy: -333.090190
where:
bonds (distance) C4'-P energy: -59.743
bonds (distance) P-C4' energy: -75.961
flat angles C4'-P-C4' energy: -76.381
flat angles P-C4'-P energy: -43.737
tors. eta vs tors. theta energy: -77.269
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: 7, replica: 6
=====================================
Write number: 115
Temperature: 1.200000
Total energy: -807.305339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -807.305339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -807.305339 (E_RNA)
where:
Base-Base interactions energy: -512.375
where: short stacking energy: -224.836
Base-Backbone interact. energy: -0.755
local terms energy: -294.175341
where:
bonds (distance) C4'-P energy: -58.206
bonds (distance) P-C4' energy: -68.063
flat angles C4'-P-C4' energy: -69.057
flat angles P-C4'-P energy: -55.734
tors. eta vs tors. theta energy: -43.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 115
Temperature: 1.250000
Total energy: -739.574259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -739.574259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -739.574259 (E_RNA)
where:
Base-Base interactions energy: -461.803
where: short stacking energy: -221.899
Base-Backbone interact. energy: -0.914
local terms energy: -276.857010
where:
bonds (distance) C4'-P energy: -58.809
bonds (distance) P-C4' energy: -67.420
flat angles C4'-P-C4' energy: -63.121
flat angles P-C4'-P energy: -45.353
tors. eta vs tors. theta energy: -42.154
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: 9
=====================================
Write number: 115
Temperature: 1.300000
Total energy: -645.001711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -645.001711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -645.001711 (E_RNA)
where:
Base-Base interactions energy: -376.940
where: short stacking energy: -188.040
Base-Backbone interact. energy: -2.025
local terms energy: -266.036682
where:
bonds (distance) C4'-P energy: -47.992
bonds (distance) P-C4' energy: -75.135
flat angles C4'-P-C4' energy: -68.329
flat angles P-C4'-P energy: -47.784
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: 10, replica: 4
=====================================
Write number: 115
Temperature: 1.350000
Total energy: -318.080463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.080463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.080463 (E_RNA)
where:
Base-Base interactions energy: -115.299
where: short stacking energy: -82.851
Base-Backbone interact. energy: 1.965
local terms energy: -204.746134
where:
bonds (distance) C4'-P energy: -68.365
bonds (distance) P-C4' energy: -68.639
flat angles C4'-P-C4' energy: -53.188
flat angles P-C4'-P energy: -37.608
tors. eta vs tors. theta energy: 23.054
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: 3
=====================================
Write number: 116
Temperature: 0.900000
Total energy: -1332.972005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1332.972005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1332.972005 (E_RNA)
where:
Base-Base interactions energy: -929.263
where: short stacking energy: -397.991
Base-Backbone interact. energy: 0.284
local terms energy: -403.993548
where:
bonds (distance) C4'-P energy: -70.558
bonds (distance) P-C4' energy: -74.994
flat angles C4'-P-C4' energy: -88.538
flat angles P-C4'-P energy: -61.411
tors. eta vs tors. theta energy: -108.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 116
Temperature: 0.950000
Total energy: -1316.252274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1316.252274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1316.252274 (E_RNA)
where:
Base-Base interactions energy: -889.572
where: short stacking energy: -370.233
Base-Backbone interact. energy: -3.554
local terms energy: -423.126369
where:
bonds (distance) C4'-P energy: -78.282
bonds (distance) P-C4' energy: -80.276
flat angles C4'-P-C4' energy: -82.695
flat angles P-C4'-P energy: -65.151
tors. eta vs tors. theta energy: -116.723
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: 3, replica: 2
=====================================
Write number: 116
Temperature: 1.000000
Total energy: -1212.850969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1212.850969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1212.850969 (E_RNA)
where:
Base-Base interactions energy: -828.044
where: short stacking energy: -346.230
Base-Backbone interact. energy: -5.128
local terms energy: -379.679344
where:
bonds (distance) C4'-P energy: -74.923
bonds (distance) P-C4' energy: -76.572
flat angles C4'-P-C4' energy: -74.604
flat angles P-C4'-P energy: -59.646
tors. eta vs tors. theta energy: -93.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 116
Temperature: 1.050000
Total energy: -1160.229587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1160.229587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1160.229587 (E_RNA)
where:
Base-Base interactions energy: -791.015
where: short stacking energy: -345.511
Base-Backbone interact. energy: -0.427
local terms energy: -370.497341
where:
bonds (distance) C4'-P energy: -60.241
bonds (distance) P-C4' energy: -82.008
flat angles C4'-P-C4' energy: -84.874
flat angles P-C4'-P energy: -47.802
tors. eta vs tors. theta energy: -95.573
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: 5, replica: 10
=====================================
Write number: 116
Temperature: 1.100000
Total energy: -1080.730898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1080.730898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1080.730898 (E_RNA)
where:
Base-Base interactions energy: -745.586
where: short stacking energy: -346.866
Base-Backbone interact. energy: -0.143
local terms energy: -335.001824
where:
bonds (distance) C4'-P energy: -68.169
bonds (distance) P-C4' energy: -58.126
flat angles C4'-P-C4' energy: -71.832
flat angles P-C4'-P energy: -47.892
tors. eta vs tors. theta energy: -88.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 116
Temperature: 1.150000
Total energy: -1020.474099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1020.474099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1020.474099 (E_RNA)
where:
Base-Base interactions energy: -698.928
where: short stacking energy: -298.380
Base-Backbone interact. energy: -2.843
local terms energy: -318.703293
where:
bonds (distance) C4'-P energy: -65.502
bonds (distance) P-C4' energy: -69.556
flat angles C4'-P-C4' energy: -68.581
flat angles P-C4'-P energy: -43.041
tors. eta vs tors. theta energy: -72.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 116
Temperature: 1.200000
Total energy: -823.515665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -823.515665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -823.515665 (E_RNA)
where:
Base-Base interactions energy: -535.662
where: short stacking energy: -235.567
Base-Backbone interact. energy: -0.830
local terms energy: -287.023384
where:
bonds (distance) C4'-P energy: -61.484
bonds (distance) P-C4' energy: -71.794
flat angles C4'-P-C4' energy: -62.871
flat angles P-C4'-P energy: -47.551
tors. eta vs tors. theta energy: -43.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 116
Temperature: 1.250000
Total energy: -745.246296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -745.246296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -745.246296 (E_RNA)
where:
Base-Base interactions energy: -485.364
where: short stacking energy: -212.288
Base-Backbone interact. energy: 1.869
local terms energy: -261.751253
where:
bonds (distance) C4'-P energy: -67.334
bonds (distance) P-C4' energy: -63.012
flat angles C4'-P-C4' energy: -62.364
flat angles P-C4'-P energy: -32.301
tors. eta vs tors. theta energy: -36.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 116
Temperature: 1.300000
Total energy: -579.943285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -579.943285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -579.943285 (E_RNA)
where:
Base-Base interactions energy: -324.219
where: short stacking energy: -173.358
Base-Backbone interact. energy: -0.839
local terms energy: -254.885112
where:
bonds (distance) C4'-P energy: -67.851
bonds (distance) P-C4' energy: -66.694
flat angles C4'-P-C4' energy: -64.978
flat angles P-C4'-P energy: -31.404
tors. eta vs tors. theta energy: -23.958
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: 4
=====================================
Write number: 116
Temperature: 1.350000
Total energy: -344.973752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.973752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.973752 (E_RNA)
where:
Base-Base interactions energy: -142.948
where: short stacking energy: -122.553
Base-Backbone interact. energy: 2.116
local terms energy: -204.141111
where:
bonds (distance) C4'-P energy: -60.177
bonds (distance) P-C4' energy: -59.620
flat angles C4'-P-C4' energy: -59.388
flat angles P-C4'-P energy: -27.618
tors. eta vs tors. theta energy: 2.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 117
Temperature: 0.900000
Total energy: -1312.118223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1312.118223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1312.118223 (E_RNA)
where:
Base-Base interactions energy: -904.493
where: short stacking energy: -387.253
Base-Backbone interact. energy: -1.428
local terms energy: -406.198060
where:
bonds (distance) C4'-P energy: -73.070
bonds (distance) P-C4' energy: -84.042
flat angles C4'-P-C4' energy: -78.700
flat angles P-C4'-P energy: -58.423
tors. eta vs tors. theta energy: -111.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 117
Temperature: 0.950000
Total energy: -1284.604299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1284.604299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1284.604299 (E_RNA)
where:
Base-Base interactions energy: -889.137
where: short stacking energy: -359.495
Base-Backbone interact. energy: -3.594
local terms energy: -391.873094
where:
bonds (distance) C4'-P energy: -76.272
bonds (distance) P-C4' energy: -72.151
flat angles C4'-P-C4' energy: -80.356
flat angles P-C4'-P energy: -59.107
tors. eta vs tors. theta energy: -103.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 117
Temperature: 1.000000
Total energy: -1234.674831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1234.674831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1234.674831 (E_RNA)
where:
Base-Base interactions energy: -861.891
where: short stacking energy: -351.041
Base-Backbone interact. energy: -3.817
local terms energy: -368.966649
where:
bonds (distance) C4'-P energy: -68.363
bonds (distance) P-C4' energy: -73.689
flat angles C4'-P-C4' energy: -78.243
flat angles P-C4'-P energy: -57.945
tors. eta vs tors. theta energy: -90.727
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: 10
=====================================
Write number: 117
Temperature: 1.050000
Total energy: -1140.931185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1140.931185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1140.931185 (E_RNA)
where:
Base-Base interactions energy: -781.371
where: short stacking energy: -328.243
Base-Backbone interact. energy: -0.399
local terms energy: -359.160801
where:
bonds (distance) C4'-P energy: -60.706
bonds (distance) P-C4' energy: -67.837
flat angles C4'-P-C4' energy: -85.217
flat angles P-C4'-P energy: -53.430
tors. eta vs tors. theta energy: -91.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 117
Temperature: 1.100000
Total energy: -1094.385701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1094.385701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1094.385701 (E_RNA)
where:
Base-Base interactions energy: -732.985
where: short stacking energy: -324.463
Base-Backbone interact. energy: -2.928
local terms energy: -359.110299
where:
bonds (distance) C4'-P energy: -63.998
bonds (distance) P-C4' energy: -68.357
flat angles C4'-P-C4' energy: -77.656
flat angles P-C4'-P energy: -60.045
tors. eta vs tors. theta energy: -89.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.637 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 117
Temperature: 1.150000
Total energy: -988.651537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -988.651537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -988.651537 (E_RNA)
where:
Base-Base interactions energy: -661.039
where: short stacking energy: -299.387
Base-Backbone interact. energy: -1.120
local terms energy: -326.492571
where:
bonds (distance) C4'-P energy: -63.635
bonds (distance) P-C4' energy: -70.200
flat angles C4'-P-C4' energy: -78.191
flat angles P-C4'-P energy: -41.980
tors. eta vs tors. theta energy: -72.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 117
Temperature: 1.200000
Total energy: -798.725716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -798.725716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -798.725716 (E_RNA)
where:
Base-Base interactions energy: -529.333
where: short stacking energy: -221.305
Base-Backbone interact. energy: -2.106
local terms energy: -267.390625
where:
bonds (distance) C4'-P energy: -68.100
bonds (distance) P-C4' energy: -70.465
flat angles C4'-P-C4' energy: -61.747
flat angles P-C4'-P energy: -23.473
tors. eta vs tors. theta energy: -43.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.104 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 117
Temperature: 1.250000
Total energy: -781.298519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -781.298519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -781.298519 (E_RNA)
where:
Base-Base interactions energy: -484.831
where: short stacking energy: -200.769
Base-Backbone interact. energy: 0.227
local terms energy: -296.694073
where:
bonds (distance) C4'-P energy: -62.289
bonds (distance) P-C4' energy: -73.008
flat angles C4'-P-C4' energy: -64.694
flat angles P-C4'-P energy: -46.680
tors. eta vs tors. theta energy: -50.023
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: 9
=====================================
Write number: 117
Temperature: 1.300000
Total energy: -549.968795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.968795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.968795 (E_RNA)
where:
Base-Base interactions energy: -338.520
where: short stacking energy: -157.135
Base-Backbone interact. energy: -0.984
local terms energy: -210.464655
where:
bonds (distance) C4'-P energy: -47.656
bonds (distance) P-C4' energy: -72.225
flat angles C4'-P-C4' energy: -55.891
flat angles P-C4'-P energy: -41.153
tors. eta vs tors. theta energy: 6.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 117
Temperature: 1.350000
Total energy: -361.341973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.341973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.341973 (E_RNA)
where:
Base-Base interactions energy: -164.143
where: short stacking energy: -109.144
Base-Backbone interact. energy: -1.568
local terms energy: -195.631784
where:
bonds (distance) C4'-P energy: -57.158
bonds (distance) P-C4' energy: -74.621
flat angles C4'-P-C4' energy: -31.654
flat angles P-C4'-P energy: -34.235
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: 3
=====================================
Write number: 118
Temperature: 0.900000
Total energy: -1354.514941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1354.514941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1354.514941 (E_RNA)
where:
Base-Base interactions energy: -928.125
where: short stacking energy: -405.922
Base-Backbone interact. energy: -0.710
local terms energy: -425.680721
where:
bonds (distance) C4'-P energy: -80.945
bonds (distance) P-C4' energy: -81.736
flat angles C4'-P-C4' energy: -89.784
flat angles P-C4'-P energy: -58.648
tors. eta vs tors. theta energy: -114.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 118
Temperature: 0.950000
Total energy: -1285.251865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1285.251865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1285.251865 (E_RNA)
where:
Base-Base interactions energy: -880.734
where: short stacking energy: -350.282
Base-Backbone interact. energy: -1.998
local terms energy: -402.520292
where:
bonds (distance) C4'-P energy: -73.801
bonds (distance) P-C4' energy: -81.412
flat angles C4'-P-C4' energy: -86.671
flat angles P-C4'-P energy: -55.724
tors. eta vs tors. theta energy: -104.913
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: 2
=====================================
Write number: 118
Temperature: 1.000000
Total energy: -1224.578504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1224.578504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1224.578504 (E_RNA)
where:
Base-Base interactions energy: -859.433
where: short stacking energy: -351.052
Base-Backbone interact. energy: -1.934
local terms energy: -363.211187
where:
bonds (distance) C4'-P energy: -65.658
bonds (distance) P-C4' energy: -72.193
flat angles C4'-P-C4' energy: -70.199
flat angles P-C4'-P energy: -57.851
tors. eta vs tors. theta energy: -97.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 118
Temperature: 1.050000
Total energy: -1130.073152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1130.073152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1130.073152 (E_RNA)
where:
Base-Base interactions energy: -764.424
where: short stacking energy: -334.942
Base-Backbone interact. energy: 0.202
local terms energy: -365.850496
where:
bonds (distance) C4'-P energy: -66.974
bonds (distance) P-C4' energy: -77.571
flat angles C4'-P-C4' energy: -80.526
flat angles P-C4'-P energy: -50.987
tors. eta vs tors. theta energy: -89.793
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: 1
=====================================
Write number: 118
Temperature: 1.100000
Total energy: -1092.593230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1092.593230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1092.593230 (E_RNA)
where:
Base-Base interactions energy: -741.470
where: short stacking energy: -328.994
Base-Backbone interact. energy: -1.749
local terms energy: -349.374988
where:
bonds (distance) C4'-P energy: -62.619
bonds (distance) P-C4' energy: -68.007
flat angles C4'-P-C4' energy: -82.951
flat angles P-C4'-P energy: -48.291
tors. eta vs tors. theta energy: -87.507
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: 5
=====================================
Write number: 118
Temperature: 1.150000
Total energy: -960.152107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -960.152107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -960.152107 (E_RNA)
where:
Base-Base interactions energy: -639.160
where: short stacking energy: -282.021
Base-Backbone interact. energy: 0.266
local terms energy: -321.258369
where:
bonds (distance) C4'-P energy: -83.397
bonds (distance) P-C4' energy: -60.637
flat angles C4'-P-C4' energy: -70.537
flat angles P-C4'-P energy: -42.253
tors. eta vs tors. theta energy: -64.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 118
Temperature: 1.200000
Total energy: -806.743565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -806.743565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -806.743565 (E_RNA)
where:
Base-Base interactions energy: -520.401
where: short stacking energy: -237.847
Base-Backbone interact. energy: 4.931
local terms energy: -291.273223
where:
bonds (distance) C4'-P energy: -70.004
bonds (distance) P-C4' energy: -66.827
flat angles C4'-P-C4' energy: -66.902
flat angles P-C4'-P energy: -36.564
tors. eta vs tors. theta energy: -50.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 118
Temperature: 1.250000
Total energy: -823.910594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -823.910594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -823.910594 (E_RNA)
where:
Base-Base interactions energy: -546.781
where: short stacking energy: -244.442
Base-Backbone interact. energy: 1.517
local terms energy: -278.647042
where:
bonds (distance) C4'-P energy: -57.934
bonds (distance) P-C4' energy: -68.895
flat angles C4'-P-C4' energy: -61.086
flat angles P-C4'-P energy: -44.179
tors. eta vs tors. theta energy: -46.552
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: 9, replica: 9
=====================================
Write number: 118
Temperature: 1.300000
Total energy: -540.634684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.634684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.634684 (E_RNA)
where:
Base-Base interactions energy: -311.661
where: short stacking energy: -157.354
Base-Backbone interact. energy: -1.068
local terms energy: -227.906178
where:
bonds (distance) C4'-P energy: -55.226
bonds (distance) P-C4' energy: -62.341
flat angles C4'-P-C4' energy: -57.459
flat angles P-C4'-P energy: -24.768
tors. eta vs tors. theta energy: -28.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 118
Temperature: 1.350000
Total energy: -392.366499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.366499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.366499 (E_RNA)
where:
Base-Base interactions energy: -173.153
where: short stacking energy: -104.560
Base-Backbone interact. energy: -0.726
local terms energy: -218.488141
where:
bonds (distance) C4'-P energy: -55.575
bonds (distance) P-C4' energy: -63.166
flat angles C4'-P-C4' energy: -58.051
flat angles P-C4'-P energy: -45.014
tors. eta vs tors. theta energy: 3.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 119
Temperature: 0.900000
Total energy: -1329.563952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1329.563952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1329.563952 (E_RNA)
where:
Base-Base interactions energy: -929.162
where: short stacking energy: -397.102
Base-Backbone interact. energy: 0.691
local terms energy: -401.092619
where:
bonds (distance) C4'-P energy: -70.246
bonds (distance) P-C4' energy: -80.230
flat angles C4'-P-C4' energy: -80.548
flat angles P-C4'-P energy: -57.929
tors. eta vs tors. theta energy: -112.139
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: 2
=====================================
Write number: 119
Temperature: 0.950000
Total energy: -1279.583244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1279.583244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1279.583244 (E_RNA)
where:
Base-Base interactions energy: -877.338
where: short stacking energy: -371.722
Base-Backbone interact. energy: -5.667
local terms energy: -396.578378
where:
bonds (distance) C4'-P energy: -81.342
bonds (distance) P-C4' energy: -77.755
flat angles C4'-P-C4' energy: -81.104
flat angles P-C4'-P energy: -53.603
tors. eta vs tors. theta energy: -102.775
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: 8
=====================================
Write number: 119
Temperature: 1.000000
Total energy: -1269.633756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1269.633756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1269.633756 (E_RNA)
where:
Base-Base interactions energy: -879.838
where: short stacking energy: -348.649
Base-Backbone interact. energy: -1.221
local terms energy: -388.575002
where:
bonds (distance) C4'-P energy: -73.334
bonds (distance) P-C4' energy: -78.723
flat angles C4'-P-C4' energy: -85.013
flat angles P-C4'-P energy: -53.815
tors. eta vs tors. theta energy: -97.691
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: 4, replica: 10
=====================================
Write number: 119
Temperature: 1.050000
Total energy: -1136.976214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1136.976214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1136.976214 (E_RNA)
where:
Base-Base interactions energy: -768.142
where: short stacking energy: -357.558
Base-Backbone interact. energy: -1.248
local terms energy: -367.585767
where:
bonds (distance) C4'-P energy: -72.975
bonds (distance) P-C4' energy: -68.255
flat angles C4'-P-C4' energy: -82.895
flat angles P-C4'-P energy: -42.082
tors. eta vs tors. theta energy: -101.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 119
Temperature: 1.100000
Total energy: -1097.624426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1097.624426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1097.624426 (E_RNA)
where:
Base-Base interactions energy: -736.035
where: short stacking energy: -332.178
Base-Backbone interact. energy: -1.054
local terms energy: -361.533080
where:
bonds (distance) C4'-P energy: -73.815
bonds (distance) P-C4' energy: -68.059
flat angles C4'-P-C4' energy: -75.297
flat angles P-C4'-P energy: -62.675
tors. eta vs tors. theta energy: -81.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.997 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 119
Temperature: 1.150000
Total energy: -992.946984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -992.946984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -992.946984 (E_RNA)
where:
Base-Base interactions energy: -660.491
where: short stacking energy: -304.916
Base-Backbone interact. energy: -2.752
local terms energy: -329.704032
where:
bonds (distance) C4'-P energy: -57.411
bonds (distance) P-C4' energy: -68.416
flat angles C4'-P-C4' energy: -77.581
flat angles P-C4'-P energy: -53.240
tors. eta vs tors. theta energy: -73.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 119
Temperature: 1.200000
Total energy: -798.439314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -798.439314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -798.439314 (E_RNA)
where:
Base-Base interactions energy: -501.684
where: short stacking energy: -230.461
Base-Backbone interact. energy: -1.717
local terms energy: -295.038435
where:
bonds (distance) C4'-P energy: -56.840
bonds (distance) P-C4' energy: -65.338
flat angles C4'-P-C4' energy: -69.884
flat angles P-C4'-P energy: -50.329
tors. eta vs tors. theta energy: -52.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 119
Temperature: 1.250000
Total energy: -803.474509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -803.474509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -803.474509 (E_RNA)
where:
Base-Base interactions energy: -518.466
where: short stacking energy: -215.146
Base-Backbone interact. energy: 0.365
local terms energy: -285.373104
where:
bonds (distance) C4'-P energy: -58.609
bonds (distance) P-C4' energy: -83.306
flat angles C4'-P-C4' energy: -68.187
flat angles P-C4'-P energy: -37.873
tors. eta vs tors. theta energy: -37.398
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: 9
=====================================
Write number: 119
Temperature: 1.300000
Total energy: -600.797468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -600.797468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -600.797468 (E_RNA)
where:
Base-Base interactions energy: -345.557
where: short stacking energy: -192.787
Base-Backbone interact. energy: -0.938
local terms energy: -254.303179
where:
bonds (distance) C4'-P energy: -59.946
bonds (distance) P-C4' energy: -52.995
flat angles C4'-P-C4' energy: -59.585
flat angles P-C4'-P energy: -48.498
tors. eta vs tors. theta energy: -33.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 119
Temperature: 1.350000
Total energy: -373.362895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.362895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.362895 (E_RNA)
where:
Base-Base interactions energy: -167.851
where: short stacking energy: -105.321
Base-Backbone interact. energy: 1.103
local terms energy: -206.614763
where:
bonds (distance) C4'-P energy: -62.014
bonds (distance) P-C4' energy: -64.416
flat angles C4'-P-C4' energy: -44.515
flat angles P-C4'-P energy: -34.255
tors. eta vs tors. theta energy: -1.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 120
Temperature: 0.900000
Total energy: -1350.168648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1350.168648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1350.168648 (E_RNA)
where:
Base-Base interactions energy: -921.031
where: short stacking energy: -397.475
Base-Backbone interact. energy: -0.997
local terms energy: -428.140158
where:
bonds (distance) C4'-P energy: -81.888
bonds (distance) P-C4' energy: -77.095
flat angles C4'-P-C4' energy: -97.055
flat angles P-C4'-P energy: -58.048
tors. eta vs tors. theta energy: -114.055
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: 2
=====================================
Write number: 120
Temperature: 0.950000
Total energy: -1283.594787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1283.594787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1283.594787 (E_RNA)
where:
Base-Base interactions energy: -883.349
where: short stacking energy: -383.158
Base-Backbone interact. energy: -1.821
local terms energy: -398.425203
where:
bonds (distance) C4'-P energy: -69.042
bonds (distance) P-C4' energy: -73.823
flat angles C4'-P-C4' energy: -91.525
flat angles P-C4'-P energy: -57.937
tors. eta vs tors. theta energy: -106.098
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: 8
=====================================
Write number: 120
Temperature: 1.000000
Total energy: -1282.789172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1282.789172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1282.789172 (E_RNA)
where:
Base-Base interactions energy: -890.121
where: short stacking energy: -341.237
Base-Backbone interact. energy: -0.394
local terms energy: -392.273590
where:
bonds (distance) C4'-P energy: -66.602
bonds (distance) P-C4' energy: -78.177
flat angles C4'-P-C4' energy: -84.356
flat angles P-C4'-P energy: -56.025
tors. eta vs tors. theta energy: -107.113
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: 10
=====================================
Write number: 120
Temperature: 1.050000
Total energy: -1132.641365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1132.641365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1132.641365 (E_RNA)
where:
Base-Base interactions energy: -782.595
where: short stacking energy: -335.991
Base-Backbone interact. energy: -1.040
local terms energy: -349.006135
where:
bonds (distance) C4'-P energy: -60.874
bonds (distance) P-C4' energy: -75.960
flat angles C4'-P-C4' energy: -71.033
flat angles P-C4'-P energy: -54.188
tors. eta vs tors. theta energy: -86.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 120
Temperature: 1.100000
Total energy: -1071.054930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1071.054930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1071.054930 (E_RNA)
where:
Base-Base interactions energy: -733.704
where: short stacking energy: -322.218
Base-Backbone interact. energy: 0.585
local terms energy: -337.936041
where:
bonds (distance) C4'-P energy: -55.904
bonds (distance) P-C4' energy: -62.754
flat angles C4'-P-C4' energy: -79.882
flat angles P-C4'-P energy: -56.922
tors. eta vs tors. theta energy: -82.475
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: 6, replica: 5
=====================================
Write number: 120
Temperature: 1.150000
Total energy: -1012.000608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1012.000608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1012.000608 (E_RNA)
where:
Base-Base interactions energy: -677.901
where: short stacking energy: -294.131
Base-Backbone interact. energy: -1.741
local terms energy: -332.358412
where:
bonds (distance) C4'-P energy: -66.134
bonds (distance) P-C4' energy: -60.010
flat angles C4'-P-C4' energy: -76.674
flat angles P-C4'-P energy: -48.440
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: 7, replica: 6
=====================================
Write number: 120
Temperature: 1.200000
Total energy: -845.058020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -845.058020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -845.058020 (E_RNA)
where:
Base-Base interactions energy: -564.340
where: short stacking energy: -247.665
Base-Backbone interact. energy: 1.292
local terms energy: -282.279735
where:
bonds (distance) C4'-P energy: -62.890
bonds (distance) P-C4' energy: -65.167
flat angles C4'-P-C4' energy: -65.591
flat angles P-C4'-P energy: -43.087
tors. eta vs tors. theta energy: -45.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.269 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 120
Temperature: 1.250000
Total energy: -804.056177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -804.056177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -804.056177 (E_RNA)
where:
Base-Base interactions energy: -509.229
where: short stacking energy: -229.166
Base-Backbone interact. energy: 0.115
local terms energy: -295.244071
where:
bonds (distance) C4'-P energy: -72.775
bonds (distance) P-C4' energy: -70.714
flat angles C4'-P-C4' energy: -56.407
flat angles P-C4'-P energy: -51.427
tors. eta vs tors. theta energy: -43.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.302 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 120
Temperature: 1.300000
Total energy: -562.171568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -562.171568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -562.171568 (E_RNA)
where:
Base-Base interactions energy: -318.979
where: short stacking energy: -170.395
Base-Backbone interact. energy: 6.635
local terms energy: -249.827322
where:
bonds (distance) C4'-P energy: -55.407
bonds (distance) P-C4' energy: -72.861
flat angles C4'-P-C4' energy: -54.518
flat angles P-C4'-P energy: -32.327
tors. eta vs tors. theta energy: -34.715
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: 10, replica: 4
=====================================
Write number: 120
Temperature: 1.350000
Total energy: -381.720156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.720156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.720156 (E_RNA)
where:
Base-Base interactions energy: -177.549
where: short stacking energy: -98.360
Base-Backbone interact. energy: 1.413
local terms energy: -205.584282
where:
bonds (distance) C4'-P energy: -63.937
bonds (distance) P-C4' energy: -74.844
flat angles C4'-P-C4' energy: -42.760
flat angles P-C4'-P energy: -32.935
tors. eta vs tors. theta energy: 8.892
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: 3
=====================================
Write number: 121
Temperature: 0.900000
Total energy: -1331.277948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1331.277948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1331.277948 (E_RNA)
where:
Base-Base interactions energy: -906.654
where: short stacking energy: -385.376
Base-Backbone interact. energy: -1.288
local terms energy: -423.336530
where:
bonds (distance) C4'-P energy: -79.653
bonds (distance) P-C4' energy: -81.254
flat angles C4'-P-C4' energy: -85.513
flat angles P-C4'-P energy: -58.680
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: 8
=====================================
Write number: 121
Temperature: 0.950000
Total energy: -1274.175884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1274.175884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1274.175884 (E_RNA)
where:
Base-Base interactions energy: -873.482
where: short stacking energy: -353.717
Base-Backbone interact. energy: -2.187
local terms energy: -398.507066
where:
bonds (distance) C4'-P energy: -79.991
bonds (distance) P-C4' energy: -76.948
flat angles C4'-P-C4' energy: -82.232
flat angles P-C4'-P energy: -58.642
tors. eta vs tors. theta energy: -100.694
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: 3, replica: 2
=====================================
Write number: 121
Temperature: 1.000000
Total energy: -1234.654430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1234.654430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1234.654430 (E_RNA)
where:
Base-Base interactions energy: -854.092
where: short stacking energy: -356.563
Base-Backbone interact. energy: -3.834
local terms energy: -376.728047
where:
bonds (distance) C4'-P energy: -58.047
bonds (distance) P-C4' energy: -74.275
flat angles C4'-P-C4' energy: -87.893
flat angles P-C4'-P energy: -59.074
tors. eta vs tors. theta energy: -97.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 121
Temperature: 1.050000
Total energy: -1130.754280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1130.754280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1130.754280 (E_RNA)
where:
Base-Base interactions energy: -757.735
where: short stacking energy: -325.476
Base-Backbone interact. energy: -1.627
local terms energy: -371.392440
where:
bonds (distance) C4'-P energy: -76.241
bonds (distance) P-C4' energy: -76.212
flat angles C4'-P-C4' energy: -83.767
flat angles P-C4'-P energy: -49.912
tors. eta vs tors. theta energy: -85.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 121
Temperature: 1.100000
Total energy: -1061.240244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1061.240244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1061.240244 (E_RNA)
where:
Base-Base interactions energy: -733.196
where: short stacking energy: -324.121
Base-Backbone interact. energy: 1.207
local terms energy: -329.251811
where:
bonds (distance) C4'-P energy: -62.089
bonds (distance) P-C4' energy: -64.328
flat angles C4'-P-C4' energy: -72.778
flat angles P-C4'-P energy: -44.872
tors. eta vs tors. theta energy: -85.184
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: 5
=====================================
Write number: 121
Temperature: 1.150000
Total energy: -992.413354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -992.413354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -992.413354 (E_RNA)
where:
Base-Base interactions energy: -669.764
where: short stacking energy: -292.705
Base-Backbone interact. energy: -2.874
local terms energy: -319.775890
where:
bonds (distance) C4'-P energy: -60.461
bonds (distance) P-C4' energy: -62.913
flat angles C4'-P-C4' energy: -78.723
flat angles P-C4'-P energy: -44.076
tors. eta vs tors. theta energy: -73.602
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: 6
=====================================
Write number: 121
Temperature: 1.200000
Total energy: -830.380089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -830.380089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -830.380089 (E_RNA)
where:
Base-Base interactions energy: -522.850
where: short stacking energy: -225.470
Base-Backbone interact. energy: -1.512
local terms energy: -306.018600
where:
bonds (distance) C4'-P energy: -76.766
bonds (distance) P-C4' energy: -68.634
flat angles C4'-P-C4' energy: -58.430
flat angles P-C4'-P energy: -49.102
tors. eta vs tors. theta energy: -53.087
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: 7
=====================================
Write number: 121
Temperature: 1.250000
Total energy: -771.602883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -771.602883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -771.602883 (E_RNA)
where:
Base-Base interactions energy: -485.306
where: short stacking energy: -212.224
Base-Backbone interact. energy: -2.289
local terms energy: -284.007474
where:
bonds (distance) C4'-P energy: -60.114
bonds (distance) P-C4' energy: -67.564
flat angles C4'-P-C4' energy: -67.574
flat angles P-C4'-P energy: -44.758
tors. eta vs tors. theta energy: -43.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 121
Temperature: 1.300000
Total energy: -543.063105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.063105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.063105 (E_RNA)
where:
Base-Base interactions energy: -301.732
where: short stacking energy: -158.749
Base-Backbone interact. energy: -0.808
local terms energy: -240.523298
where:
bonds (distance) C4'-P energy: -68.856
bonds (distance) P-C4' energy: -54.234
flat angles C4'-P-C4' energy: -67.040
flat angles P-C4'-P energy: -39.380
tors. eta vs tors. theta energy: -11.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 121
Temperature: 1.350000
Total energy: -385.424833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.424833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.424833 (E_RNA)
where:
Base-Base interactions energy: -183.841
where: short stacking energy: -111.310
Base-Backbone interact. energy: -0.202
local terms energy: -201.382073
where:
bonds (distance) C4'-P energy: -63.064
bonds (distance) P-C4' energy: -68.102
flat angles C4'-P-C4' energy: -53.405
flat angles P-C4'-P energy: -17.998
tors. eta vs tors. theta energy: 1.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 122
Temperature: 0.900000
Total energy: -1347.246077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1347.246077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1347.246077 (E_RNA)
where:
Base-Base interactions energy: -932.963
where: short stacking energy: -406.274
Base-Backbone interact. energy: 4.425
local terms energy: -418.707761
where:
bonds (distance) C4'-P energy: -72.839
bonds (distance) P-C4' energy: -75.924
flat angles C4'-P-C4' energy: -93.875
flat angles P-C4'-P energy: -60.523
tors. eta vs tors. theta energy: -115.547
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: 2, replica: 8
=====================================
Write number: 122
Temperature: 0.950000
Total energy: -1276.227970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1276.227970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1276.227970 (E_RNA)
where:
Base-Base interactions energy: -872.794
where: short stacking energy: -357.103
Base-Backbone interact. energy: -1.376
local terms energy: -402.057820
where:
bonds (distance) C4'-P energy: -73.344
bonds (distance) P-C4' energy: -85.882
flat angles C4'-P-C4' energy: -78.711
flat angles P-C4'-P energy: -62.747
tors. eta vs tors. theta energy: -101.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 122
Temperature: 1.000000
Total energy: -1253.183335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1253.183335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1253.183335 (E_RNA)
where:
Base-Base interactions energy: -855.166
where: short stacking energy: -340.199
Base-Backbone interact. energy: -1.568
local terms energy: -396.449838
where:
bonds (distance) C4'-P energy: -81.289
bonds (distance) P-C4' energy: -74.462
flat angles C4'-P-C4' energy: -89.669
flat angles P-C4'-P energy: -50.554
tors. eta vs tors. theta energy: -100.476
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: 10
=====================================
Write number: 122
Temperature: 1.050000
Total energy: -1116.601072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1116.601072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1116.601072 (E_RNA)
where:
Base-Base interactions energy: -761.210
where: short stacking energy: -321.218
Base-Backbone interact. energy: -4.206
local terms energy: -351.185486
where:
bonds (distance) C4'-P energy: -68.594
bonds (distance) P-C4' energy: -66.152
flat angles C4'-P-C4' energy: -79.171
flat angles P-C4'-P energy: -52.227
tors. eta vs tors. theta energy: -85.041
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: 5, replica: 1
=====================================
Write number: 122
Temperature: 1.100000
Total energy: -1064.227386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1064.227386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1064.227386 (E_RNA)
where:
Base-Base interactions energy: -707.946
where: short stacking energy: -319.145
Base-Backbone interact. energy: -1.999
local terms energy: -354.324924
where:
bonds (distance) C4'-P energy: -72.157
bonds (distance) P-C4' energy: -61.886
flat angles C4'-P-C4' energy: -82.920
flat angles P-C4'-P energy: -55.302
tors. eta vs tors. theta energy: -82.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.042 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 122
Temperature: 1.150000
Total energy: -949.879224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -949.879224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -949.879224 (E_RNA)
where:
Base-Base interactions energy: -655.242
where: short stacking energy: -282.383
Base-Backbone interact. energy: 2.075
local terms energy: -296.711268
where:
bonds (distance) C4'-P energy: -60.200
bonds (distance) P-C4' energy: -59.364
flat angles C4'-P-C4' energy: -65.249
flat angles P-C4'-P energy: -40.030
tors. eta vs tors. theta energy: -71.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 122
Temperature: 1.200000
Total energy: -833.722855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -833.722855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -833.722855 (E_RNA)
where:
Base-Base interactions energy: -538.943
where: short stacking energy: -238.232
Base-Backbone interact. energy: -2.523
local terms energy: -292.256400
where:
bonds (distance) C4'-P energy: -69.748
bonds (distance) P-C4' energy: -69.549
flat angles C4'-P-C4' energy: -59.120
flat angles P-C4'-P energy: -44.794
tors. eta vs tors. theta energy: -49.046
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: 7
=====================================
Write number: 122
Temperature: 1.250000
Total energy: -781.183396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -781.183396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -781.183396 (E_RNA)
where:
Base-Base interactions energy: -496.912
where: short stacking energy: -201.294
Base-Backbone interact. energy: -1.287
local terms energy: -282.984727
where:
bonds (distance) C4'-P energy: -63.244
bonds (distance) P-C4' energy: -61.886
flat angles C4'-P-C4' energy: -64.265
flat angles P-C4'-P energy: -47.795
tors. eta vs tors. theta energy: -45.795
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: 9
=====================================
Write number: 122
Temperature: 1.300000
Total energy: -565.981875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -565.981875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -565.981875 (E_RNA)
where:
Base-Base interactions energy: -336.631
where: short stacking energy: -172.482
Base-Backbone interact. energy: 2.985
local terms energy: -232.335865
where:
bonds (distance) C4'-P energy: -62.054
bonds (distance) P-C4' energy: -49.024
flat angles C4'-P-C4' energy: -63.090
flat angles P-C4'-P energy: -51.591
tors. eta vs tors. theta energy: -6.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 122
Temperature: 1.350000
Total energy: -403.579497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.579497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.579497 (E_RNA)
where:
Base-Base interactions energy: -183.825
where: short stacking energy: -99.189
Base-Backbone interact. energy: 1.272
local terms energy: -221.027065
where:
bonds (distance) C4'-P energy: -63.042
bonds (distance) P-C4' energy: -70.820
flat angles C4'-P-C4' energy: -63.220
flat angles P-C4'-P energy: -32.974
tors. eta vs tors. theta energy: 9.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 123
Temperature: 0.900000
Total energy: -1350.754399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1350.754399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1350.754399 (E_RNA)
where:
Base-Base interactions energy: -931.904
where: short stacking energy: -406.364
Base-Backbone interact. energy: -2.464
local terms energy: -416.385859
where:
bonds (distance) C4'-P energy: -72.923
bonds (distance) P-C4' energy: -89.475
flat angles C4'-P-C4' energy: -82.597
flat angles P-C4'-P energy: -60.067
tors. eta vs tors. theta energy: -111.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 123
Temperature: 0.950000
Total energy: -1271.037599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1271.037599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1271.037599 (E_RNA)
where:
Base-Base interactions energy: -897.745
where: short stacking energy: -343.452
Base-Backbone interact. energy: -2.553
local terms energy: -370.739216
where:
bonds (distance) C4'-P energy: -63.636
bonds (distance) P-C4' energy: -75.037
flat angles C4'-P-C4' energy: -82.417
flat angles P-C4'-P energy: -49.137
tors. eta vs tors. theta energy: -100.512
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: 2
=====================================
Write number: 123
Temperature: 1.000000
Total energy: -1263.561947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1263.561947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1263.561947 (E_RNA)
where:
Base-Base interactions energy: -889.098
where: short stacking energy: -367.618
Base-Backbone interact. energy: -2.679
local terms energy: -371.785594
where:
bonds (distance) C4'-P energy: -62.597
bonds (distance) P-C4' energy: -74.668
flat angles C4'-P-C4' energy: -80.556
flat angles P-C4'-P energy: -57.174
tors. eta vs tors. theta energy: -96.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 123
Temperature: 1.050000
Total energy: -1106.754526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1106.754526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1106.754526 (E_RNA)
where:
Base-Base interactions energy: -745.427
where: short stacking energy: -334.333
Base-Backbone interact. energy: -0.375
local terms energy: -360.953280
where:
bonds (distance) C4'-P energy: -74.245
bonds (distance) P-C4' energy: -71.996
flat angles C4'-P-C4' energy: -79.137
flat angles P-C4'-P energy: -48.505
tors. eta vs tors. theta energy: -87.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 123
Temperature: 1.100000
Total energy: -1062.089488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1062.089488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1062.089488 (E_RNA)
where:
Base-Base interactions energy: -690.229
where: short stacking energy: -331.979
Base-Backbone interact. energy: 0.546
local terms energy: -372.406728
where:
bonds (distance) C4'-P energy: -79.720
bonds (distance) P-C4' energy: -71.896
flat angles C4'-P-C4' energy: -82.586
flat angles P-C4'-P energy: -48.305
tors. eta vs tors. theta energy: -89.901
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: 5
=====================================
Write number: 123
Temperature: 1.150000
Total energy: -971.787468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -971.787468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -971.787468 (E_RNA)
where:
Base-Base interactions energy: -656.483
where: short stacking energy: -287.495
Base-Backbone interact. energy: 0.486
local terms energy: -315.790729
where:
bonds (distance) C4'-P energy: -63.109
bonds (distance) P-C4' energy: -74.195
flat angles C4'-P-C4' energy: -71.468
flat angles P-C4'-P energy: -39.933
tors. eta vs tors. theta energy: -67.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 123
Temperature: 1.200000
Total energy: -913.494398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -913.494398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -913.494398 (E_RNA)
where:
Base-Base interactions energy: -600.565
where: short stacking energy: -244.190
Base-Backbone interact. energy: -1.637
local terms energy: -311.292719
where:
bonds (distance) C4'-P energy: -57.521
bonds (distance) P-C4' energy: -71.775
flat angles C4'-P-C4' energy: -63.708
flat angles P-C4'-P energy: -53.649
tors. eta vs tors. theta energy: -64.639
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: 7
=====================================
Write number: 123
Temperature: 1.250000
Total energy: -797.853137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -797.853137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -797.853137 (E_RNA)
where:
Base-Base interactions energy: -501.088
where: short stacking energy: -207.680
Base-Backbone interact. energy: -1.771
local terms energy: -294.994231
where:
bonds (distance) C4'-P energy: -66.923
bonds (distance) P-C4' energy: -72.564
flat angles C4'-P-C4' energy: -66.215
flat angles P-C4'-P energy: -50.830
tors. eta vs tors. theta energy: -38.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 123
Temperature: 1.300000
Total energy: -568.793323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -568.793323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -568.793323 (E_RNA)
where:
Base-Base interactions energy: -336.657
where: short stacking energy: -172.527
Base-Backbone interact. energy: -0.387
local terms energy: -231.749136
where:
bonds (distance) C4'-P energy: -65.320
bonds (distance) P-C4' energy: -59.520
flat angles C4'-P-C4' energy: -50.415
flat angles P-C4'-P energy: -40.136
tors. eta vs tors. theta energy: -16.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 123
Temperature: 1.350000
Total energy: -403.940786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.940786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.940786 (E_RNA)
where:
Base-Base interactions energy: -195.765
where: short stacking energy: -127.019
Base-Backbone interact. energy: -2.572
local terms energy: -206.127142
where:
bonds (distance) C4'-P energy: -55.786
bonds (distance) P-C4' energy: -60.313
flat angles C4'-P-C4' energy: -52.790
flat angles P-C4'-P energy: -35.854
tors. eta vs tors. theta energy: -1.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.524 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 124
Temperature: 0.900000
Total energy: -1344.644705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1344.644705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1344.644705 (E_RNA)
where:
Base-Base interactions energy: -957.750
where: short stacking energy: -409.688
Base-Backbone interact. energy: -0.963
local terms energy: -385.931027
where:
bonds (distance) C4'-P energy: -66.602
bonds (distance) P-C4' energy: -70.952
flat angles C4'-P-C4' energy: -86.045
flat angles P-C4'-P energy: -50.363
tors. eta vs tors. theta energy: -111.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 124
Temperature: 0.950000
Total energy: -1261.344913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1261.344913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1261.344913 (E_RNA)
where:
Base-Base interactions energy: -874.860
where: short stacking energy: -359.256
Base-Backbone interact. energy: -2.809
local terms energy: -383.676054
where:
bonds (distance) C4'-P energy: -77.607
bonds (distance) P-C4' energy: -81.126
flat angles C4'-P-C4' energy: -75.743
flat angles P-C4'-P energy: -46.564
tors. eta vs tors. theta energy: -102.636
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: 2
=====================================
Write number: 124
Temperature: 1.000000
Total energy: -1234.432672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1234.432672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1234.432672 (E_RNA)
where:
Base-Base interactions energy: -852.717
where: short stacking energy: -350.156
Base-Backbone interact. energy: 3.631
local terms energy: -385.346581
where:
bonds (distance) C4'-P energy: -76.514
bonds (distance) P-C4' energy: -77.636
flat angles C4'-P-C4' energy: -79.063
flat angles P-C4'-P energy: -57.791
tors. eta vs tors. theta energy: -94.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 124
Temperature: 1.050000
Total energy: -1102.858309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1102.858309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1102.858309 (E_RNA)
where:
Base-Base interactions energy: -738.335
where: short stacking energy: -319.793
Base-Backbone interact. energy: -0.129
local terms energy: -364.394474
where:
bonds (distance) C4'-P energy: -70.505
bonds (distance) P-C4' energy: -74.500
flat angles C4'-P-C4' energy: -86.873
flat angles P-C4'-P energy: -49.215
tors. eta vs tors. theta energy: -83.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 124
Temperature: 1.100000
Total energy: -1126.433736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1126.433736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1126.433736 (E_RNA)
where:
Base-Base interactions energy: -778.559
where: short stacking energy: -324.791
Base-Backbone interact. energy: -0.503
local terms energy: -347.773731
where:
bonds (distance) C4'-P energy: -79.169
bonds (distance) P-C4' energy: -65.849
flat angles C4'-P-C4' energy: -69.040
flat angles P-C4'-P energy: -47.887
tors. eta vs tors. theta energy: -85.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.402 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 124
Temperature: 1.150000
Total energy: -937.432050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -937.432050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -937.432050 (E_RNA)
where:
Base-Base interactions energy: -629.676
where: short stacking energy: -271.009
Base-Backbone interact. energy: -0.402
local terms energy: -307.354578
where:
bonds (distance) C4'-P energy: -64.972
bonds (distance) P-C4' energy: -69.883
flat angles C4'-P-C4' energy: -72.798
flat angles P-C4'-P energy: -39.350
tors. eta vs tors. theta energy: -60.351
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: 6
=====================================
Write number: 124
Temperature: 1.200000
Total energy: -865.275136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -865.275136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -865.275136 (E_RNA)
where:
Base-Base interactions energy: -572.710
where: short stacking energy: -252.944
Base-Backbone interact. energy: -1.793
local terms energy: -290.772100
where:
bonds (distance) C4'-P energy: -58.583
bonds (distance) P-C4' energy: -70.492
flat angles C4'-P-C4' energy: -67.780
flat angles P-C4'-P energy: -33.200
tors. eta vs tors. theta energy: -60.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 124
Temperature: 1.250000
Total energy: -803.073086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -803.073086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -803.073086 (E_RNA)
where:
Base-Base interactions energy: -525.150
where: short stacking energy: -210.952
Base-Backbone interact. energy: -0.870
local terms energy: -277.053359
where:
bonds (distance) C4'-P energy: -70.392
bonds (distance) P-C4' energy: -67.841
flat angles C4'-P-C4' energy: -63.343
flat angles P-C4'-P energy: -35.874
tors. eta vs tors. theta energy: -39.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 124
Temperature: 1.300000
Total energy: -600.022281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -600.022281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -600.022281 (E_RNA)
where:
Base-Base interactions energy: -351.445
where: short stacking energy: -188.014
Base-Backbone interact. energy: -1.375
local terms energy: -247.202264
where:
bonds (distance) C4'-P energy: -39.407
bonds (distance) P-C4' energy: -66.299
flat angles C4'-P-C4' energy: -54.969
flat angles P-C4'-P energy: -47.407
tors. eta vs tors. theta energy: -39.120
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: 124
Temperature: 1.350000
Total energy: -439.283223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.283223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.283223 (E_RNA)
where:
Base-Base interactions energy: -210.577
where: short stacking energy: -116.009
Base-Backbone interact. energy: 0.902
local terms energy: -230.181800
where:
bonds (distance) C4'-P energy: -70.063
bonds (distance) P-C4' energy: -57.815
flat angles C4'-P-C4' energy: -62.650
flat angles P-C4'-P energy: -31.410
tors. eta vs tors. theta energy: -8.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.574 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 125
Temperature: 0.900000
Total energy: -1348.697023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1348.697023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1348.697023 (E_RNA)
where:
Base-Base interactions energy: -952.076
where: short stacking energy: -387.771
Base-Backbone interact. energy: -2.723
local terms energy: -393.897901
where:
bonds (distance) C4'-P energy: -72.516
bonds (distance) P-C4' energy: -64.340
flat angles C4'-P-C4' energy: -87.493
flat angles P-C4'-P energy: -63.049
tors. eta vs tors. theta energy: -106.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 125
Temperature: 0.950000
Total energy: -1288.266745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1288.266745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1288.266745 (E_RNA)
where:
Base-Base interactions energy: -875.847
where: short stacking energy: -360.493
Base-Backbone interact. energy: -3.361
local terms energy: -409.057978
where:
bonds (distance) C4'-P energy: -81.803
bonds (distance) P-C4' energy: -85.225
flat angles C4'-P-C4' energy: -73.704
flat angles P-C4'-P energy: -63.942
tors. eta vs tors. theta energy: -104.384
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: 2
=====================================
Write number: 125
Temperature: 1.000000
Total energy: -1229.645780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1229.645780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1229.645780 (E_RNA)
where:
Base-Base interactions energy: -853.890
where: short stacking energy: -353.841
Base-Backbone interact. energy: -1.777
local terms energy: -373.978790
where:
bonds (distance) C4'-P energy: -56.084
bonds (distance) P-C4' energy: -79.778
flat angles C4'-P-C4' energy: -80.592
flat angles P-C4'-P energy: -55.335
tors. eta vs tors. theta energy: -102.189
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: 1
=====================================
Write number: 125
Temperature: 1.050000
Total energy: -1151.462272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1151.462272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1151.462272 (E_RNA)
where:
Base-Base interactions energy: -796.496
where: short stacking energy: -341.463
Base-Backbone interact. energy: -1.276
local terms energy: -353.690208
where:
bonds (distance) C4'-P energy: -73.423
bonds (distance) P-C4' energy: -58.825
flat angles C4'-P-C4' energy: -75.274
flat angles P-C4'-P energy: -54.604
tors. eta vs tors. theta energy: -91.565
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: 10
=====================================
Write number: 125
Temperature: 1.100000
Total energy: -1084.965525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1084.965525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1084.965525 (E_RNA)
where:
Base-Base interactions energy: -746.883
where: short stacking energy: -317.173
Base-Backbone interact. energy: 1.277
local terms energy: -339.360304
where:
bonds (distance) C4'-P energy: -63.947
bonds (distance) P-C4' energy: -68.779
flat angles C4'-P-C4' energy: -81.120
flat angles P-C4'-P energy: -44.640
tors. eta vs tors. theta energy: -80.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 125
Temperature: 1.150000
Total energy: -965.531725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -965.531725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -965.531725 (E_RNA)
where:
Base-Base interactions energy: -633.010
where: short stacking energy: -275.448
Base-Backbone interact. energy: -0.693
local terms energy: -331.828404
where:
bonds (distance) C4'-P energy: -72.351
bonds (distance) P-C4' energy: -63.767
flat angles C4'-P-C4' energy: -83.702
flat angles P-C4'-P energy: -41.262
tors. eta vs tors. theta energy: -70.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 125
Temperature: 1.200000
Total energy: -860.299030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -860.299030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -860.299030 (E_RNA)
where:
Base-Base interactions energy: -545.335
where: short stacking energy: -241.431
Base-Backbone interact. energy: -2.261
local terms energy: -312.703968
where:
bonds (distance) C4'-P energy: -68.485
bonds (distance) P-C4' energy: -61.124
flat angles C4'-P-C4' energy: -74.187
flat angles P-C4'-P energy: -55.317
tors. eta vs tors. theta energy: -53.591
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: 8, replica: 7
=====================================
Write number: 125
Temperature: 1.250000
Total energy: -819.900229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -819.900229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -819.900229 (E_RNA)
where:
Base-Base interactions energy: -541.942
where: short stacking energy: -241.437
Base-Backbone interact. energy: 0.005
local terms energy: -277.963374
where:
bonds (distance) C4'-P energy: -58.270
bonds (distance) P-C4' energy: -67.877
flat angles C4'-P-C4' energy: -66.706
flat angles P-C4'-P energy: -30.715
tors. eta vs tors. theta energy: -54.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 125
Temperature: 1.300000
Total energy: -566.165273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -566.165273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -566.165273 (E_RNA)
where:
Base-Base interactions energy: -323.034
where: short stacking energy: -159.853
Base-Backbone interact. energy: -1.041
local terms energy: -242.089851
where:
bonds (distance) C4'-P energy: -60.053
bonds (distance) P-C4' energy: -64.667
flat angles C4'-P-C4' energy: -71.934
flat angles P-C4'-P energy: -32.836
tors. eta vs tors. theta energy: -12.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 125
Temperature: 1.350000
Total energy: -415.064829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.064829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.064829 (E_RNA)
where:
Base-Base interactions energy: -187.160
where: short stacking energy: -111.252
Base-Backbone interact. energy: 0.195
local terms energy: -228.100734
where:
bonds (distance) C4'-P energy: -59.060
bonds (distance) P-C4' energy: -65.990
flat angles C4'-P-C4' energy: -55.206
flat angles P-C4'-P energy: -36.941
tors. eta vs tors. theta energy: -10.903
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: 1, replica: 3
=====================================
Write number: 126
Temperature: 0.900000
Total energy: -1350.406987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1350.406987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1350.406987 (E_RNA)
where:
Base-Base interactions energy: -945.137
where: short stacking energy: -390.445
Base-Backbone interact. energy: -1.346
local terms energy: -403.923882
where:
bonds (distance) C4'-P energy: -72.202
bonds (distance) P-C4' energy: -73.704
flat angles C4'-P-C4' energy: -85.545
flat angles P-C4'-P energy: -64.326
tors. eta vs tors. theta energy: -108.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 126
Temperature: 0.950000
Total energy: -1280.133512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1280.133512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1280.133512 (E_RNA)
where:
Base-Base interactions energy: -869.832
where: short stacking energy: -357.749
Base-Backbone interact. energy: -2.160
local terms energy: -408.141467
where:
bonds (distance) C4'-P energy: -74.545
bonds (distance) P-C4' energy: -82.152
flat angles C4'-P-C4' energy: -86.882
flat angles P-C4'-P energy: -56.031
tors. eta vs tors. theta energy: -108.531
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: 2
=====================================
Write number: 126
Temperature: 1.000000
Total energy: -1228.076732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1228.076732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1228.076732 (E_RNA)
where:
Base-Base interactions energy: -876.057
where: short stacking energy: -365.284
Base-Backbone interact. energy: 3.141
local terms energy: -355.160813
where:
bonds (distance) C4'-P energy: -52.442
bonds (distance) P-C4' energy: -70.083
flat angles C4'-P-C4' energy: -76.442
flat angles P-C4'-P energy: -53.677
tors. eta vs tors. theta energy: -102.517
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: 1
=====================================
Write number: 126
Temperature: 1.050000
Total energy: -1138.751916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1138.751916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1138.751916 (E_RNA)
where:
Base-Base interactions energy: -751.053
where: short stacking energy: -315.275
Base-Backbone interact. energy: -0.385
local terms energy: -387.314424
where:
bonds (distance) C4'-P energy: -77.696
bonds (distance) P-C4' energy: -82.568
flat angles C4'-P-C4' energy: -85.071
flat angles P-C4'-P energy: -52.923
tors. eta vs tors. theta energy: -89.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 126
Temperature: 1.100000
Total energy: -1026.282308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1026.282308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1026.282308 (E_RNA)
where:
Base-Base interactions energy: -699.226
where: short stacking energy: -300.609
Base-Backbone interact. energy: -3.211
local terms energy: -323.845834
where:
bonds (distance) C4'-P energy: -61.126
bonds (distance) P-C4' energy: -65.404
flat angles C4'-P-C4' energy: -75.117
flat angles P-C4'-P energy: -52.046
tors. eta vs tors. theta energy: -70.153
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: 6, replica: 5
=====================================
Write number: 126
Temperature: 1.150000
Total energy: -1003.614513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1003.614513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1003.614513 (E_RNA)
where:
Base-Base interactions energy: -691.906
where: short stacking energy: -298.333
Base-Backbone interact. energy: 0.413
local terms energy: -312.120960
where:
bonds (distance) C4'-P energy: -65.444
bonds (distance) P-C4' energy: -59.946
flat angles C4'-P-C4' energy: -77.334
flat angles P-C4'-P energy: -51.586
tors. eta vs tors. theta energy: -57.811
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: 7, replica: 7
=====================================
Write number: 126
Temperature: 1.200000
Total energy: -838.096018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -838.096018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -838.096018 (E_RNA)
where:
Base-Base interactions energy: -532.908
where: short stacking energy: -246.649
Base-Backbone interact. energy: -0.156
local terms energy: -305.032611
where:
bonds (distance) C4'-P energy: -69.613
bonds (distance) P-C4' energy: -67.610
flat angles C4'-P-C4' energy: -65.929
flat angles P-C4'-P energy: -55.048
tors. eta vs tors. theta energy: -46.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 126
Temperature: 1.250000
Total energy: -825.347591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -825.347591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -825.347591 (E_RNA)
where:
Base-Base interactions energy: -545.877
where: short stacking energy: -239.264
Base-Backbone interact. energy: -0.621
local terms energy: -278.849411
where:
bonds (distance) C4'-P energy: -58.510
bonds (distance) P-C4' energy: -68.239
flat angles C4'-P-C4' energy: -59.185
flat angles P-C4'-P energy: -46.529
tors. eta vs tors. theta energy: -46.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 126
Temperature: 1.300000
Total energy: -538.306566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.306566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.306566 (E_RNA)
where:
Base-Base interactions energy: -297.160
where: short stacking energy: -147.140
Base-Backbone interact. energy: -1.413
local terms energy: -239.732744
where:
bonds (distance) C4'-P energy: -65.304
bonds (distance) P-C4' energy: -74.226
flat angles C4'-P-C4' energy: -56.971
flat angles P-C4'-P energy: -35.827
tors. eta vs tors. theta energy: -7.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 126
Temperature: 1.350000
Total energy: -392.195224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.195224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.195224 (E_RNA)
where:
Base-Base interactions energy: -170.476
where: short stacking energy: -115.674
Base-Backbone interact. energy: -1.183
local terms energy: -220.536472
where:
bonds (distance) C4'-P energy: -72.321
bonds (distance) P-C4' energy: -62.403
flat angles C4'-P-C4' energy: -55.829
flat angles P-C4'-P energy: -32.386
tors. eta vs tors. theta energy: 2.402
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: 1, replica: 3
=====================================
Write number: 127
Temperature: 0.900000
Total energy: -1344.814109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1344.814109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1344.814109 (E_RNA)
where:
Base-Base interactions energy: -929.538
where: short stacking energy: -376.865
Base-Backbone interact. energy: -2.004
local terms energy: -413.272158
where:
bonds (distance) C4'-P energy: -74.390
bonds (distance) P-C4' energy: -84.719
flat angles C4'-P-C4' energy: -79.902
flat angles P-C4'-P energy: -62.618
tors. eta vs tors. theta energy: -111.644
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: 2
=====================================
Write number: 127
Temperature: 0.950000
Total energy: -1247.590644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1247.590644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1247.590644 (E_RNA)
where:
Base-Base interactions energy: -862.109
where: short stacking energy: -349.641
Base-Backbone interact. energy: -3.671
local terms energy: -381.811319
where:
bonds (distance) C4'-P energy: -60.737
bonds (distance) P-C4' energy: -85.415
flat angles C4'-P-C4' energy: -80.731
flat angles P-C4'-P energy: -54.180
tors. eta vs tors. theta energy: -100.748
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: 8
=====================================
Write number: 127
Temperature: 1.000000
Total energy: -1263.780556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1263.780556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1263.780556 (E_RNA)
where:
Base-Base interactions energy: -876.286
where: short stacking energy: -355.066
Base-Backbone interact. energy: -1.912
local terms energy: -385.582458
where:
bonds (distance) C4'-P energy: -81.440
bonds (distance) P-C4' energy: -69.096
flat angles C4'-P-C4' energy: -88.754
flat angles P-C4'-P energy: -49.331
tors. eta vs tors. theta energy: -96.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 127
Temperature: 1.050000
Total energy: -1156.718760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1156.718760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1156.718760 (E_RNA)
where:
Base-Base interactions energy: -800.973
where: short stacking energy: -356.806
Base-Backbone interact. energy: -1.872
local terms energy: -353.873841
where:
bonds (distance) C4'-P energy: -57.146
bonds (distance) P-C4' energy: -76.722
flat angles C4'-P-C4' energy: -70.017
flat angles P-C4'-P energy: -45.944
tors. eta vs tors. theta energy: -104.045
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: 10
=====================================
Write number: 127
Temperature: 1.100000
Total energy: -1057.537231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1057.537231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1057.537231 (E_RNA)
where:
Base-Base interactions energy: -700.934
where: short stacking energy: -316.594
Base-Backbone interact. energy: -0.106
local terms energy: -356.497451
where:
bonds (distance) C4'-P energy: -80.860
bonds (distance) P-C4' energy: -74.844
flat angles C4'-P-C4' energy: -79.514
flat angles P-C4'-P energy: -47.956
tors. eta vs tors. theta energy: -73.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 127
Temperature: 1.150000
Total energy: -998.325168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -998.325168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -998.325168 (E_RNA)
where:
Base-Base interactions energy: -681.569
where: short stacking energy: -298.491
Base-Backbone interact. energy: -0.991
local terms energy: -315.765886
where:
bonds (distance) C4'-P energy: -71.559
bonds (distance) P-C4' energy: -62.252
flat angles C4'-P-C4' energy: -74.621
flat angles P-C4'-P energy: -38.962
tors. eta vs tors. theta energy: -68.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 127
Temperature: 1.200000
Total energy: -830.799135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -830.799135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -830.799135 (E_RNA)
where:
Base-Base interactions energy: -538.590
where: short stacking energy: -259.270
Base-Backbone interact. energy: 1.159
local terms energy: -293.368321
where:
bonds (distance) C4'-P energy: -59.502
bonds (distance) P-C4' energy: -64.924
flat angles C4'-P-C4' energy: -65.906
flat angles P-C4'-P energy: -40.325
tors. eta vs tors. theta energy: -62.712
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: 8, replica: 6
=====================================
Write number: 127
Temperature: 1.250000
Total energy: -819.455236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -819.455236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -819.455236 (E_RNA)
where:
Base-Base interactions energy: -524.539
where: short stacking energy: -219.407
Base-Backbone interact. energy: -4.053
local terms energy: -290.863237
where:
bonds (distance) C4'-P energy: -74.182
bonds (distance) P-C4' energy: -60.824
flat angles C4'-P-C4' energy: -67.406
flat angles P-C4'-P energy: -42.419
tors. eta vs tors. theta energy: -46.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 127
Temperature: 1.300000
Total energy: -562.446952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -562.446952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -562.446952 (E_RNA)
where:
Base-Base interactions energy: -313.211
where: short stacking energy: -161.838
Base-Backbone interact. energy: -3.297
local terms energy: -245.939270
where:
bonds (distance) C4'-P energy: -62.445
bonds (distance) P-C4' energy: -62.502
flat angles C4'-P-C4' energy: -56.417
flat angles P-C4'-P energy: -40.483
tors. eta vs tors. theta energy: -24.093
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: 10, replica: 4
=====================================
Write number: 127
Temperature: 1.350000
Total energy: -402.120689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.120689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.120689 (E_RNA)
where:
Base-Base interactions energy: -191.361
where: short stacking energy: -107.917
Base-Backbone interact. energy: 0.700
local terms energy: -211.459305
where:
bonds (distance) C4'-P energy: -64.793
bonds (distance) P-C4' energy: -62.746
flat angles C4'-P-C4' energy: -55.630
flat angles P-C4'-P energy: -31.974
tors. eta vs tors. theta energy: 3.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 128
Temperature: 0.900000
Total energy: -1350.455319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1350.455319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1350.455319 (E_RNA)
where:
Base-Base interactions energy: -945.863
where: short stacking energy: -400.733
Base-Backbone interact. energy: -0.411
local terms energy: -404.180652
where:
bonds (distance) C4'-P energy: -78.056
bonds (distance) P-C4' energy: -81.976
flat angles C4'-P-C4' energy: -87.708
flat angles P-C4'-P energy: -49.158
tors. eta vs tors. theta energy: -107.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 128
Temperature: 0.950000
Total energy: -1231.544146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1231.544146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1231.544146 (E_RNA)
where:
Base-Base interactions energy: -839.693
where: short stacking energy: -347.253
Base-Backbone interact. energy: -2.901
local terms energy: -388.950433
where:
bonds (distance) C4'-P energy: -78.590
bonds (distance) P-C4' energy: -76.853
flat angles C4'-P-C4' energy: -80.236
flat angles P-C4'-P energy: -60.059
tors. eta vs tors. theta energy: -93.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 128
Temperature: 1.000000
Total energy: -1234.577074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1234.577074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1234.577074 (E_RNA)
where:
Base-Base interactions energy: -835.295
where: short stacking energy: -343.435
Base-Backbone interact. energy: -4.359
local terms energy: -394.922205
where:
bonds (distance) C4'-P energy: -75.037
bonds (distance) P-C4' energy: -75.916
flat angles C4'-P-C4' energy: -84.280
flat angles P-C4'-P energy: -57.935
tors. eta vs tors. theta energy: -101.753
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: 4, replica: 1
=====================================
Write number: 128
Temperature: 1.050000
Total energy: -1147.350515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1147.350515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1147.350515 (E_RNA)
where:
Base-Base interactions energy: -761.994
where: short stacking energy: -340.295
Base-Backbone interact. energy: -1.937
local terms energy: -383.419025
where:
bonds (distance) C4'-P energy: -72.962
bonds (distance) P-C4' energy: -75.269
flat angles C4'-P-C4' energy: -79.367
flat angles P-C4'-P energy: -57.499
tors. eta vs tors. theta energy: -98.322
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: 5
=====================================
Write number: 128
Temperature: 1.100000
Total energy: -1074.396432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1074.396432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1074.396432 (E_RNA)
where:
Base-Base interactions energy: -715.647
where: short stacking energy: -313.937
Base-Backbone interact. energy: 0.037
local terms energy: -358.785780
where:
bonds (distance) C4'-P energy: -73.131
bonds (distance) P-C4' energy: -74.257
flat angles C4'-P-C4' energy: -64.062
flat angles P-C4'-P energy: -54.775
tors. eta vs tors. theta energy: -92.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 128
Temperature: 1.150000
Total energy: -1022.340899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1022.340899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1022.340899 (E_RNA)
where:
Base-Base interactions energy: -679.304
where: short stacking energy: -309.675
Base-Backbone interact. energy: 2.201
local terms energy: -345.237771
where:
bonds (distance) C4'-P energy: -54.434
bonds (distance) P-C4' energy: -76.176
flat angles C4'-P-C4' energy: -78.626
flat angles P-C4'-P energy: -56.335
tors. eta vs tors. theta energy: -79.667
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: 7, replica: 7
=====================================
Write number: 128
Temperature: 1.200000
Total energy: -862.777786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -862.777786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -862.777786 (E_RNA)
where:
Base-Base interactions energy: -545.453
where: short stacking energy: -255.319
Base-Backbone interact. energy: -0.572
local terms energy: -316.752402
where:
bonds (distance) C4'-P energy: -64.394
bonds (distance) P-C4' energy: -66.935
flat angles C4'-P-C4' energy: -76.733
flat angles P-C4'-P energy: -45.529
tors. eta vs tors. theta energy: -63.162
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: 6
=====================================
Write number: 128
Temperature: 1.250000
Total energy: -841.874071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -841.874071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -841.874071 (E_RNA)
where:
Base-Base interactions energy: -574.523
where: short stacking energy: -228.252
Base-Backbone interact. energy: -0.788
local terms energy: -266.563914
where:
bonds (distance) C4'-P energy: -53.089
bonds (distance) P-C4' energy: -68.435
flat angles C4'-P-C4' energy: -62.118
flat angles P-C4'-P energy: -27.961
tors. eta vs tors. theta energy: -54.962
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: 9
=====================================
Write number: 128
Temperature: 1.300000
Total energy: -559.336375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.336375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.336375 (E_RNA)
where:
Base-Base interactions energy: -317.504
where: short stacking energy: -172.312
Base-Backbone interact. energy: -1.711
local terms energy: -240.121953
where:
bonds (distance) C4'-P energy: -44.546
bonds (distance) P-C4' energy: -80.317
flat angles C4'-P-C4' energy: -60.604
flat angles P-C4'-P energy: -35.977
tors. eta vs tors. theta energy: -18.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 128
Temperature: 1.350000
Total energy: -382.473921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.473921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.473921 (E_RNA)
where:
Base-Base interactions energy: -183.000
where: short stacking energy: -118.024
Base-Backbone interact. energy: -1.921
local terms energy: -197.553350
where:
bonds (distance) C4'-P energy: -53.080
bonds (distance) P-C4' energy: -59.853
flat angles C4'-P-C4' energy: -56.120
flat angles P-C4'-P energy: -33.772
tors. eta vs tors. theta energy: 5.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 129
Temperature: 0.900000
Total energy: -1341.544297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1341.544297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1341.544297 (E_RNA)
where:
Base-Base interactions energy: -950.927
where: short stacking energy: -387.009
Base-Backbone interact. energy: -1.985
local terms energy: -388.632677
where:
bonds (distance) C4'-P energy: -82.431
bonds (distance) P-C4' energy: -75.503
flat angles C4'-P-C4' energy: -76.996
flat angles P-C4'-P energy: -55.319
tors. eta vs tors. theta energy: -98.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 129
Temperature: 0.950000
Total energy: -1296.528330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1296.528330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1296.528330 (E_RNA)
where:
Base-Base interactions energy: -896.334
where: short stacking energy: -367.716
Base-Backbone interact. energy: -2.198
local terms energy: -397.996554
where:
bonds (distance) C4'-P energy: -67.651
bonds (distance) P-C4' energy: -82.922
flat angles C4'-P-C4' energy: -81.217
flat angles P-C4'-P energy: -56.524
tors. eta vs tors. theta energy: -109.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 129
Temperature: 1.000000
Total energy: -1235.952122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1235.952122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1235.952122 (E_RNA)
where:
Base-Base interactions energy: -838.253
where: short stacking energy: -347.093
Base-Backbone interact. energy: -3.816
local terms energy: -393.883231
where:
bonds (distance) C4'-P energy: -80.677
bonds (distance) P-C4' energy: -63.246
flat angles C4'-P-C4' energy: -87.788
flat angles P-C4'-P energy: -64.065
tors. eta vs tors. theta energy: -98.107
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: 4, replica: 1
=====================================
Write number: 129
Temperature: 1.050000
Total energy: -1204.363755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1204.363755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1204.363755 (E_RNA)
where:
Base-Base interactions energy: -821.592
where: short stacking energy: -346.568
Base-Backbone interact. energy: -1.712
local terms energy: -381.059371
where:
bonds (distance) C4'-P energy: -65.066
bonds (distance) P-C4' energy: -68.829
flat angles C4'-P-C4' energy: -80.407
flat angles P-C4'-P energy: -64.659
tors. eta vs tors. theta energy: -102.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 129
Temperature: 1.100000
Total energy: -1055.749018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1055.749018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1055.749018 (E_RNA)
where:
Base-Base interactions energy: -704.093
where: short stacking energy: -305.871
Base-Backbone interact. energy: -1.241
local terms energy: -350.414759
where:
bonds (distance) C4'-P energy: -71.959
bonds (distance) P-C4' energy: -79.412
flat angles C4'-P-C4' energy: -76.053
flat angles P-C4'-P energy: -44.246
tors. eta vs tors. theta energy: -78.743
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: 10
=====================================
Write number: 129
Temperature: 1.150000
Total energy: -1024.945302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1024.945302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1024.945302 (E_RNA)
where:
Base-Base interactions energy: -696.357
where: short stacking energy: -329.198
Base-Backbone interact. energy: 3.753
local terms energy: -332.340545
where:
bonds (distance) C4'-P energy: -53.021
bonds (distance) P-C4' energy: -67.992
flat angles C4'-P-C4' energy: -67.498
flat angles P-C4'-P energy: -54.169
tors. eta vs tors. theta energy: -89.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 129
Temperature: 1.200000
Total energy: -875.689197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -875.689197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -875.689197 (E_RNA)
where:
Base-Base interactions energy: -572.554
where: short stacking energy: -266.530
Base-Backbone interact. energy: -0.714
local terms energy: -302.420770
where:
bonds (distance) C4'-P energy: -53.518
bonds (distance) P-C4' energy: -68.537
flat angles C4'-P-C4' energy: -76.219
flat angles P-C4'-P energy: -42.320
tors. eta vs tors. theta energy: -61.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 129
Temperature: 1.250000
Total energy: -854.141064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -854.141064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -854.141064 (E_RNA)
where:
Base-Base interactions energy: -574.712
where: short stacking energy: -229.449
Base-Backbone interact. energy: 1.789
local terms energy: -281.854027
where:
bonds (distance) C4'-P energy: -56.561
bonds (distance) P-C4' energy: -67.930
flat angles C4'-P-C4' energy: -65.155
flat angles P-C4'-P energy: -36.919
tors. eta vs tors. theta energy: -55.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.636 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 129
Temperature: 1.300000
Total energy: -594.529749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -594.529749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -594.529749 (E_RNA)
where:
Base-Base interactions energy: -336.833
where: short stacking energy: -177.972
Base-Backbone interact. energy: 0.825
local terms energy: -258.522414
where:
bonds (distance) C4'-P energy: -53.363
bonds (distance) P-C4' energy: -77.847
flat angles C4'-P-C4' energy: -57.629
flat angles P-C4'-P energy: -43.221
tors. eta vs tors. theta energy: -26.462
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: 4
=====================================
Write number: 129
Temperature: 1.350000
Total energy: -376.222801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.222801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.222801 (E_RNA)
where:
Base-Base interactions energy: -167.271
where: short stacking energy: -93.682
Base-Backbone interact. energy: 0.852
local terms energy: -209.803745
where:
bonds (distance) C4'-P energy: -67.344
bonds (distance) P-C4' energy: -68.193
flat angles C4'-P-C4' energy: -48.934
flat angles P-C4'-P energy: -35.456
tors. eta vs tors. theta energy: 10.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 130
Temperature: 0.900000
Total energy: -1351.106642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1351.106642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1351.106642 (E_RNA)
where:
Base-Base interactions energy: -956.116
where: short stacking energy: -380.053
Base-Backbone interact. energy: 1.822
local terms energy: -396.812953
where:
bonds (distance) C4'-P energy: -77.192
bonds (distance) P-C4' energy: -76.138
flat angles C4'-P-C4' energy: -87.166
flat angles P-C4'-P energy: -57.524
tors. eta vs tors. theta energy: -98.793
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: 8
=====================================
Write number: 130
Temperature: 0.950000
Total energy: -1293.218882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1293.218882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1293.218882 (E_RNA)
where:
Base-Base interactions energy: -888.611
where: short stacking energy: -374.973
Base-Backbone interact. energy: -2.564
local terms energy: -402.043292
where:
bonds (distance) C4'-P energy: -80.124
bonds (distance) P-C4' energy: -72.542
flat angles C4'-P-C4' energy: -81.225
flat angles P-C4'-P energy: -54.416
tors. eta vs tors. theta energy: -113.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 130
Temperature: 1.000000
Total energy: -1211.042655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1211.042655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1211.042655 (E_RNA)
where:
Base-Base interactions energy: -840.484
where: short stacking energy: -364.745
Base-Backbone interact. energy: -2.590
local terms energy: -367.968702
where:
bonds (distance) C4'-P energy: -65.172
bonds (distance) P-C4' energy: -67.060
flat angles C4'-P-C4' energy: -84.879
flat angles P-C4'-P energy: -52.954
tors. eta vs tors. theta energy: -97.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 130
Temperature: 1.050000
Total energy: -1177.943697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1177.943697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1177.943697 (E_RNA)
where:
Base-Base interactions energy: -816.610
where: short stacking energy: -364.680
Base-Backbone interact. energy: -1.533
local terms energy: -359.800562
where:
bonds (distance) C4'-P energy: -67.915
bonds (distance) P-C4' energy: -72.837
flat angles C4'-P-C4' energy: -83.360
flat angles P-C4'-P energy: -38.982
tors. eta vs tors. theta energy: -96.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 130
Temperature: 1.100000
Total energy: -1081.649432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1081.649432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1081.649432 (E_RNA)
where:
Base-Base interactions energy: -738.152
where: short stacking energy: -317.938
Base-Backbone interact. energy: -2.856
local terms energy: -340.641846
where:
bonds (distance) C4'-P energy: -67.176
bonds (distance) P-C4' energy: -67.395
flat angles C4'-P-C4' energy: -74.192
flat angles P-C4'-P energy: -50.545
tors. eta vs tors. theta energy: -81.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 130
Temperature: 1.150000
Total energy: -993.893130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -993.893130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -993.893130 (E_RNA)
where:
Base-Base interactions energy: -656.344
where: short stacking energy: -295.946
Base-Backbone interact. energy: -1.439
local terms energy: -336.110886
where:
bonds (distance) C4'-P energy: -66.559
bonds (distance) P-C4' energy: -65.656
flat angles C4'-P-C4' energy: -81.027
flat angles P-C4'-P energy: -53.217
tors. eta vs tors. theta energy: -69.651
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: 6
=====================================
Write number: 130
Temperature: 1.200000
Total energy: -851.177207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -851.177207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -851.177207 (E_RNA)
where:
Base-Base interactions energy: -560.481
where: short stacking energy: -233.425
Base-Backbone interact. energy: 0.249
local terms energy: -290.944910
where:
bonds (distance) C4'-P energy: -67.108
bonds (distance) P-C4' energy: -79.108
flat angles C4'-P-C4' energy: -55.106
flat angles P-C4'-P energy: -39.570
tors. eta vs tors. theta energy: -50.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 130
Temperature: 1.250000
Total energy: -808.032183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -808.032183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -808.032183 (E_RNA)
where:
Base-Base interactions energy: -521.098
where: short stacking energy: -255.404
Base-Backbone interact. energy: -1.645
local terms energy: -287.641190
where:
bonds (distance) C4'-P energy: -48.013
bonds (distance) P-C4' energy: -70.942
flat angles C4'-P-C4' energy: -62.531
flat angles P-C4'-P energy: -46.249
tors. eta vs tors. theta energy: -59.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 2.351 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 130
Temperature: 1.300000
Total energy: -580.982823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -580.982823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -580.982823 (E_RNA)
where:
Base-Base interactions energy: -331.557
where: short stacking energy: -171.563
Base-Backbone interact. energy: 0.925
local terms energy: -250.351395
where:
bonds (distance) C4'-P energy: -66.924
bonds (distance) P-C4' energy: -77.571
flat angles C4'-P-C4' energy: -54.510
flat angles P-C4'-P energy: -34.252
tors. eta vs tors. theta energy: -17.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 130
Temperature: 1.350000
Total energy: -409.384786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.384786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.384786 (E_RNA)
where:
Base-Base interactions energy: -187.368
where: short stacking energy: -110.663
Base-Backbone interact. energy: 0.488
local terms energy: -222.505356
where:
bonds (distance) C4'-P energy: -63.022
bonds (distance) P-C4' energy: -68.567
flat angles C4'-P-C4' energy: -55.834
flat angles P-C4'-P energy: -32.819
tors. eta vs tors. theta energy: -2.263
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: 1, replica: 3
=====================================
Write number: 131
Temperature: 0.900000
Total energy: -1351.989547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1351.989547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1351.989547 (E_RNA)
where:
Base-Base interactions energy: -930.270
where: short stacking energy: -373.384
Base-Backbone interact. energy: -5.318
local terms energy: -416.401118
where:
bonds (distance) C4'-P energy: -83.765
bonds (distance) P-C4' energy: -77.348
flat angles C4'-P-C4' energy: -86.809
flat angles P-C4'-P energy: -57.534
tors. eta vs tors. theta energy: -110.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 131
Temperature: 0.950000
Total energy: -1259.986004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1259.986004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1259.986004 (E_RNA)
where:
Base-Base interactions energy: -871.764
where: short stacking energy: -378.510
Base-Backbone interact. energy: -1.429
local terms energy: -386.793214
where:
bonds (distance) C4'-P energy: -70.202
bonds (distance) P-C4' energy: -76.494
flat angles C4'-P-C4' energy: -81.494
flat angles P-C4'-P energy: -59.363
tors. eta vs tors. theta energy: -99.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 131
Temperature: 1.000000
Total energy: -1221.275300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1221.275300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1221.275300 (E_RNA)
where:
Base-Base interactions energy: -836.745
where: short stacking energy: -332.872
Base-Backbone interact. energy: -2.624
local terms energy: -381.906459
where:
bonds (distance) C4'-P energy: -69.855
bonds (distance) P-C4' energy: -72.640
flat angles C4'-P-C4' energy: -87.782
flat angles P-C4'-P energy: -47.324
tors. eta vs tors. theta energy: -104.306
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: 5
=====================================
Write number: 131
Temperature: 1.050000
Total energy: -1154.360224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1154.360224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1154.360224 (E_RNA)
where:
Base-Base interactions energy: -772.098
where: short stacking energy: -329.484
Base-Backbone interact. energy: -2.835
local terms energy: -379.427866
where:
bonds (distance) C4'-P energy: -84.077
bonds (distance) P-C4' energy: -75.767
flat angles C4'-P-C4' energy: -75.800
flat angles P-C4'-P energy: -55.737
tors. eta vs tors. theta energy: -88.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 131
Temperature: 1.100000
Total energy: -1107.268478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1107.268478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1107.268478 (E_RNA)
where:
Base-Base interactions energy: -759.852
where: short stacking energy: -311.089
Base-Backbone interact. energy: -1.504
local terms energy: -345.912406
where:
bonds (distance) C4'-P energy: -63.882
bonds (distance) P-C4' energy: -73.112
flat angles C4'-P-C4' energy: -81.671
flat angles P-C4'-P energy: -48.932
tors. eta vs tors. theta energy: -78.314
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: 6, replica: 10
=====================================
Write number: 131
Temperature: 1.150000
Total energy: -986.721248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -986.721248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -986.721248 (E_RNA)
where:
Base-Base interactions energy: -641.005
where: short stacking energy: -291.883
Base-Backbone interact. energy: 1.551
local terms energy: -347.267229
where:
bonds (distance) C4'-P energy: -60.925
bonds (distance) P-C4' energy: -72.938
flat angles C4'-P-C4' energy: -76.723
flat angles P-C4'-P energy: -58.224
tors. eta vs tors. theta energy: -78.456
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: 6
=====================================
Write number: 131
Temperature: 1.200000
Total energy: -879.749457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -879.749457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -879.749457 (E_RNA)
where:
Base-Base interactions energy: -594.485
where: short stacking energy: -238.456
Base-Backbone interact. energy: 1.097
local terms energy: -286.361360
where:
bonds (distance) C4'-P energy: -59.025
bonds (distance) P-C4' energy: -65.657
flat angles C4'-P-C4' energy: -68.649
flat angles P-C4'-P energy: -48.763
tors. eta vs tors. theta energy: -44.267
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: 7
=====================================
Write number: 131
Temperature: 1.250000
Total energy: -781.712179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -781.712179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -781.712179 (E_RNA)
where:
Base-Base interactions energy: -501.935
where: short stacking energy: -217.436
Base-Backbone interact. energy: -2.776
local terms energy: -277.001017
where:
bonds (distance) C4'-P energy: -56.021
bonds (distance) P-C4' energy: -74.018
flat angles C4'-P-C4' energy: -66.152
flat angles P-C4'-P energy: -43.616
tors. eta vs tors. theta energy: -37.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 131
Temperature: 1.300000
Total energy: -601.799481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -601.799481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -601.799481 (E_RNA)
where:
Base-Base interactions energy: -368.178
where: short stacking energy: -176.776
Base-Backbone interact. energy: -2.246
local terms energy: -231.376124
where:
bonds (distance) C4'-P energy: -60.745
bonds (distance) P-C4' energy: -62.539
flat angles C4'-P-C4' energy: -59.606
flat angles P-C4'-P energy: -27.101
tors. eta vs tors. theta energy: -21.386
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: 4
=====================================
Write number: 131
Temperature: 1.350000
Total energy: -420.306658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.306658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.306658 (E_RNA)
where:
Base-Base interactions energy: -221.841
where: short stacking energy: -103.812
Base-Backbone interact. energy: -1.292
local terms energy: -197.173644
where:
bonds (distance) C4'-P energy: -67.012
bonds (distance) P-C4' energy: -63.227
flat angles C4'-P-C4' energy: -49.111
flat angles P-C4'-P energy: -22.657
tors. eta vs tors. theta energy: 4.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 132
Temperature: 0.900000
Total energy: -1357.604891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1357.604891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1357.604891 (E_RNA)
where:
Base-Base interactions energy: -943.760
where: short stacking energy: -396.262
Base-Backbone interact. energy: -1.125
local terms energy: -412.977341
where:
bonds (distance) C4'-P energy: -84.606
bonds (distance) P-C4' energy: -79.813
flat angles C4'-P-C4' energy: -86.643
flat angles P-C4'-P energy: -52.703
tors. eta vs tors. theta energy: -109.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.257 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 132
Temperature: 0.950000
Total energy: -1227.011261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1227.011261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1227.011261 (E_RNA)
where:
Base-Base interactions energy: -843.819
where: short stacking energy: -359.529
Base-Backbone interact. energy: -0.644
local terms energy: -382.547873
where:
bonds (distance) C4'-P energy: -73.150
bonds (distance) P-C4' energy: -77.000
flat angles C4'-P-C4' energy: -71.958
flat angles P-C4'-P energy: -61.428
tors. eta vs tors. theta energy: -99.012
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: 8
=====================================
Write number: 132
Temperature: 1.000000
Total energy: -1216.046416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1216.046416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1216.046416 (E_RNA)
where:
Base-Base interactions energy: -829.536
where: short stacking energy: -341.879
Base-Backbone interact. energy: -1.932
local terms energy: -384.578482
where:
bonds (distance) C4'-P energy: -76.478
bonds (distance) P-C4' energy: -73.642
flat angles C4'-P-C4' energy: -86.479
flat angles P-C4'-P energy: -52.444
tors. eta vs tors. theta energy: -95.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 132
Temperature: 1.050000
Total energy: -1113.206349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1113.206349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1113.206349 (E_RNA)
where:
Base-Base interactions energy: -747.194
where: short stacking energy: -311.047
Base-Backbone interact. energy: -2.311
local terms energy: -363.701140
where:
bonds (distance) C4'-P energy: -70.377
bonds (distance) P-C4' energy: -65.144
flat angles C4'-P-C4' energy: -74.946
flat angles P-C4'-P energy: -59.916
tors. eta vs tors. theta energy: -93.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 132
Temperature: 1.100000
Total energy: -1171.375378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1171.375378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1171.375378 (E_RNA)
where:
Base-Base interactions energy: -779.899
where: short stacking energy: -352.411
Base-Backbone interact. energy: -2.714
local terms energy: -388.762521
where:
bonds (distance) C4'-P energy: -73.054
bonds (distance) P-C4' energy: -74.244
flat angles C4'-P-C4' energy: -90.588
flat angles P-C4'-P energy: -54.716
tors. eta vs tors. theta energy: -96.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 132
Temperature: 1.150000
Total energy: -1041.736917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1041.736917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1041.736917 (E_RNA)
where:
Base-Base interactions energy: -694.212
where: short stacking energy: -289.502
Base-Backbone interact. energy: -2.188
local terms energy: -345.336687
where:
bonds (distance) C4'-P energy: -69.194
bonds (distance) P-C4' energy: -76.983
flat angles C4'-P-C4' energy: -77.490
flat angles P-C4'-P energy: -43.487
tors. eta vs tors. theta energy: -78.183
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: 6
=====================================
Write number: 132
Temperature: 1.200000
Total energy: -871.638689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -871.638689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -871.638689 (E_RNA)
where:
Base-Base interactions energy: -603.555
where: short stacking energy: -245.933
Base-Backbone interact. energy: 3.292
local terms energy: -271.375751
where:
bonds (distance) C4'-P energy: -43.674
bonds (distance) P-C4' energy: -63.342
flat angles C4'-P-C4' energy: -65.614
flat angles P-C4'-P energy: -41.544
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: 8, replica: 7
=====================================
Write number: 132
Temperature: 1.250000
Total energy: -826.775600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -826.775600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -826.775600 (E_RNA)
where:
Base-Base interactions energy: -535.003
where: short stacking energy: -234.041
Base-Backbone interact. energy: 0.625
local terms energy: -292.397941
where:
bonds (distance) C4'-P energy: -71.003
bonds (distance) P-C4' energy: -71.162
flat angles C4'-P-C4' energy: -66.165
flat angles P-C4'-P energy: -32.880
tors. eta vs tors. theta energy: -51.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 132
Temperature: 1.300000
Total energy: -475.779490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.779490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.779490 (E_RNA)
where:
Base-Base interactions energy: -226.848
where: short stacking energy: -134.346
Base-Backbone interact. energy: -0.839
local terms energy: -248.091956
where:
bonds (distance) C4'-P energy: -68.833
bonds (distance) P-C4' energy: -66.433
flat angles C4'-P-C4' energy: -58.002
flat angles P-C4'-P energy: -39.849
tors. eta vs tors. theta energy: -14.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 132
Temperature: 1.350000
Total energy: -574.107752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -574.107752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -574.107752 (E_RNA)
where:
Base-Base interactions energy: -319.280
where: short stacking energy: -145.992
Base-Backbone interact. energy: -1.747
local terms energy: -253.081258
where:
bonds (distance) C4'-P energy: -67.007
bonds (distance) P-C4' energy: -71.979
flat angles C4'-P-C4' energy: -58.960
flat angles P-C4'-P energy: -37.771
tors. eta vs tors. theta energy: -17.364
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: 3
=====================================
Write number: 133
Temperature: 0.900000
Total energy: -1359.718161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1359.718161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1359.718161 (E_RNA)
where:
Base-Base interactions energy: -942.282
where: short stacking energy: -394.768
Base-Backbone interact. energy: -2.540
local terms energy: -414.895820
where:
bonds (distance) C4'-P energy: -77.549
bonds (distance) P-C4' energy: -83.932
flat angles C4'-P-C4' energy: -89.971
flat angles P-C4'-P energy: -56.239
tors. eta vs tors. theta energy: -107.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 133
Temperature: 0.950000
Total energy: -1272.206850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1272.206850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1272.206850 (E_RNA)
where:
Base-Base interactions energy: -879.373
where: short stacking energy: -352.341
Base-Backbone interact. energy: -2.064
local terms energy: -390.770195
where:
bonds (distance) C4'-P energy: -78.139
bonds (distance) P-C4' energy: -79.842
flat angles C4'-P-C4' energy: -77.611
flat angles P-C4'-P energy: -48.837
tors. eta vs tors. theta energy: -106.341
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: 3, replica: 2
=====================================
Write number: 133
Temperature: 1.000000
Total energy: -1210.658975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1210.658975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1210.658975 (E_RNA)
where:
Base-Base interactions energy: -839.165
where: short stacking energy: -347.258
Base-Backbone interact. energy: -2.896
local terms energy: -368.598082
where:
bonds (distance) C4'-P energy: -70.179
bonds (distance) P-C4' energy: -76.532
flat angles C4'-P-C4' energy: -80.316
flat angles P-C4'-P energy: -48.714
tors. eta vs tors. theta energy: -92.858
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: 5
=====================================
Write number: 133
Temperature: 1.050000
Total energy: -1137.566084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1137.566084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1137.566084 (E_RNA)
where:
Base-Base interactions energy: -771.084
where: short stacking energy: -317.712
Base-Backbone interact. energy: -2.327
local terms energy: -364.155761
where:
bonds (distance) C4'-P energy: -69.457
bonds (distance) P-C4' energy: -70.638
flat angles C4'-P-C4' energy: -80.702
flat angles P-C4'-P energy: -52.429
tors. eta vs tors. theta energy: -90.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 133
Temperature: 1.100000
Total energy: -1106.060407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1106.060407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1106.060407 (E_RNA)
where:
Base-Base interactions energy: -763.825
where: short stacking energy: -327.518
Base-Backbone interact. energy: -3.216
local terms energy: -339.018815
where:
bonds (distance) C4'-P energy: -47.255
bonds (distance) P-C4' energy: -75.623
flat angles C4'-P-C4' energy: -83.481
flat angles P-C4'-P energy: -51.741
tors. eta vs tors. theta energy: -80.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 133
Temperature: 1.150000
Total energy: -1067.506404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1067.506404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1067.506404 (E_RNA)
where:
Base-Base interactions energy: -721.691
where: short stacking energy: -300.322
Base-Backbone interact. energy: -2.296
local terms energy: -343.519646
where:
bonds (distance) C4'-P energy: -53.236
bonds (distance) P-C4' energy: -82.903
flat angles C4'-P-C4' energy: -76.225
flat angles P-C4'-P energy: -42.565
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: 6
=====================================
Write number: 133
Temperature: 1.200000
Total energy: -861.741448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -861.741448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -861.741448 (E_RNA)
where:
Base-Base interactions energy: -570.944
where: short stacking energy: -235.655
Base-Backbone interact. energy: 1.682
local terms energy: -292.478891
where:
bonds (distance) C4'-P energy: -50.734
bonds (distance) P-C4' energy: -70.558
flat angles C4'-P-C4' energy: -81.333
flat angles P-C4'-P energy: -43.242
tors. eta vs tors. theta energy: -46.613
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: 7
=====================================
Write number: 133
Temperature: 1.250000
Total energy: -840.652854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -840.652854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -840.652854 (E_RNA)
where:
Base-Base interactions energy: -542.651
where: short stacking energy: -254.948
Base-Backbone interact. energy: 0.561
local terms energy: -298.563052
where:
bonds (distance) C4'-P energy: -73.304
bonds (distance) P-C4' energy: -78.955
flat angles C4'-P-C4' energy: -61.578
flat angles P-C4'-P energy: -27.128
tors. eta vs tors. theta energy: -57.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 133
Temperature: 1.300000
Total energy: -519.650786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.650786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.650786 (E_RNA)
where:
Base-Base interactions energy: -279.457
where: short stacking energy: -168.442
Base-Backbone interact. energy: -1.248
local terms energy: -238.946191
where:
bonds (distance) C4'-P energy: -63.073
bonds (distance) P-C4' energy: -67.158
flat angles C4'-P-C4' energy: -48.256
flat angles P-C4'-P energy: -34.535
tors. eta vs tors. theta energy: -25.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 133
Temperature: 1.350000
Total energy: -583.445419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -583.445419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -583.445419 (E_RNA)
where:
Base-Base interactions energy: -334.422
where: short stacking energy: -182.393
Base-Backbone interact. energy: -0.707
local terms energy: -248.317244
where:
bonds (distance) C4'-P energy: -70.730
bonds (distance) P-C4' energy: -66.407
flat angles C4'-P-C4' energy: -59.500
flat angles P-C4'-P energy: -29.026
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: 1, replica: 3
=====================================
Write number: 134
Temperature: 0.900000
Total energy: -1356.822036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1356.822036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1356.822036 (E_RNA)
where:
Base-Base interactions energy: -947.178
where: short stacking energy: -402.164
Base-Backbone interact. energy: -1.288
local terms energy: -408.356910
where:
bonds (distance) C4'-P energy: -67.013
bonds (distance) P-C4' energy: -81.872
flat angles C4'-P-C4' energy: -87.734
flat angles P-C4'-P energy: -60.333
tors. eta vs tors. theta energy: -111.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 134
Temperature: 0.950000
Total energy: -1272.578237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1272.578237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1272.578237 (E_RNA)
where:
Base-Base interactions energy: -886.105
where: short stacking energy: -361.859
Base-Backbone interact. energy: -2.742
local terms energy: -383.731497
where:
bonds (distance) C4'-P energy: -67.320
bonds (distance) P-C4' energy: -72.228
flat angles C4'-P-C4' energy: -85.898
flat angles P-C4'-P energy: -54.871
tors. eta vs tors. theta energy: -103.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 134
Temperature: 1.000000
Total energy: -1203.816112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1203.816112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1203.816112 (E_RNA)
where:
Base-Base interactions energy: -822.245
where: short stacking energy: -337.312
Base-Backbone interact. energy: -3.324
local terms energy: -378.247566
where:
bonds (distance) C4'-P energy: -74.386
bonds (distance) P-C4' energy: -74.562
flat angles C4'-P-C4' energy: -79.465
flat angles P-C4'-P energy: -63.002
tors. eta vs tors. theta energy: -86.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 134
Temperature: 1.050000
Total energy: -1156.358366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1156.358366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1156.358366 (E_RNA)
where:
Base-Base interactions energy: -783.902
where: short stacking energy: -332.434
Base-Backbone interact. energy: -0.682
local terms energy: -371.774444
where:
bonds (distance) C4'-P energy: -74.758
bonds (distance) P-C4' energy: -62.978
flat angles C4'-P-C4' energy: -80.372
flat angles P-C4'-P energy: -60.879
tors. eta vs tors. theta energy: -92.787
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: 1
=====================================
Write number: 134
Temperature: 1.100000
Total energy: -1110.844984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1110.844984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1110.844984 (E_RNA)
where:
Base-Base interactions energy: -748.421
where: short stacking energy: -316.778
Base-Backbone interact. energy: -1.618
local terms energy: -360.806129
where:
bonds (distance) C4'-P energy: -67.540
bonds (distance) P-C4' energy: -83.793
flat angles C4'-P-C4' energy: -81.772
flat angles P-C4'-P energy: -44.118
tors. eta vs tors. theta energy: -83.582
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: 10
=====================================
Write number: 134
Temperature: 1.150000
Total energy: -1005.208246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1005.208246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1005.208246 (E_RNA)
where:
Base-Base interactions energy: -657.289
where: short stacking energy: -303.382
Base-Backbone interact. energy: -0.814
local terms energy: -347.105451
where:
bonds (distance) C4'-P energy: -74.738
bonds (distance) P-C4' energy: -61.341
flat angles C4'-P-C4' energy: -85.829
flat angles P-C4'-P energy: -48.547
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: 6
=====================================
Write number: 134
Temperature: 1.200000
Total energy: -857.551209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -857.551209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -857.551209 (E_RNA)
where:
Base-Base interactions energy: -574.555
where: short stacking energy: -244.159
Base-Backbone interact. energy: 0.027
local terms energy: -283.023182
where:
bonds (distance) C4'-P energy: -58.133
bonds (distance) P-C4' energy: -73.373
flat angles C4'-P-C4' energy: -70.663
flat angles P-C4'-P energy: -29.509
tors. eta vs tors. theta energy: -51.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 134
Temperature: 1.250000
Total energy: -811.773756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -811.773756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -811.773756 (E_RNA)
where:
Base-Base interactions energy: -542.639
where: short stacking energy: -253.426
Base-Backbone interact. energy: -0.053
local terms energy: -269.081783
where:
bonds (distance) C4'-P energy: -56.523
bonds (distance) P-C4' energy: -64.032
flat angles C4'-P-C4' energy: -65.703
flat angles P-C4'-P energy: -33.107
tors. eta vs tors. theta energy: -49.717
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: 9, replica: 9
=====================================
Write number: 134
Temperature: 1.300000
Total energy: -579.744511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -579.744511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -579.744511 (E_RNA)
where:
Base-Base interactions energy: -319.096
where: short stacking energy: -149.416
Base-Backbone interact. energy: -2.651
local terms energy: -257.997450
where:
bonds (distance) C4'-P energy: -68.468
bonds (distance) P-C4' energy: -75.621
flat angles C4'-P-C4' energy: -56.857
flat angles P-C4'-P energy: -36.891
tors. eta vs tors. theta energy: -20.160
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: 4
=====================================
Write number: 134
Temperature: 1.350000
Total energy: -444.328999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.328999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.328999 (E_RNA)
where:
Base-Base interactions energy: -232.643
where: short stacking energy: -138.129
Base-Backbone interact. energy: 0.585
local terms energy: -212.271029
where:
bonds (distance) C4'-P energy: -55.901
bonds (distance) P-C4' energy: -62.280
flat angles C4'-P-C4' energy: -60.257
flat angles P-C4'-P energy: -30.517
tors. eta vs tors. theta energy: -3.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 135
Temperature: 0.900000
Total energy: -1364.068199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1364.068199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1364.068199 (E_RNA)
where:
Base-Base interactions energy: -951.739
where: short stacking energy: -402.045
Base-Backbone interact. energy: -3.235
local terms energy: -410.150769
where:
bonds (distance) C4'-P energy: -75.580
bonds (distance) P-C4' energy: -75.969
flat angles C4'-P-C4' energy: -88.591
flat angles P-C4'-P energy: -53.859
tors. eta vs tors. theta energy: -116.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.057 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 135
Temperature: 0.950000
Total energy: -1284.236279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1284.236279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1284.236279 (E_RNA)
where:
Base-Base interactions energy: -893.758
where: short stacking energy: -382.230
Base-Backbone interact. energy: -1.817
local terms energy: -388.661304
where:
bonds (distance) C4'-P energy: -74.126
bonds (distance) P-C4' energy: -75.437
flat angles C4'-P-C4' energy: -75.754
flat angles P-C4'-P energy: -53.644
tors. eta vs tors. theta energy: -109.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 135
Temperature: 1.000000
Total energy: -1189.527358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1189.527358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1189.527358 (E_RNA)
where:
Base-Base interactions energy: -820.181
where: short stacking energy: -332.856
Base-Backbone interact. energy: -1.248
local terms energy: -368.099114
where:
bonds (distance) C4'-P energy: -80.845
bonds (distance) P-C4' energy: -67.953
flat angles C4'-P-C4' energy: -87.775
flat angles P-C4'-P energy: -54.105
tors. eta vs tors. theta energy: -77.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 135
Temperature: 1.050000
Total energy: -1195.532131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1195.532131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1195.532131 (E_RNA)
where:
Base-Base interactions energy: -820.611
where: short stacking energy: -332.590
Base-Backbone interact. energy: -1.586
local terms energy: -373.334871
where:
bonds (distance) C4'-P energy: -74.594
bonds (distance) P-C4' energy: -62.711
flat angles C4'-P-C4' energy: -84.535
flat angles P-C4'-P energy: -54.212
tors. eta vs tors. theta energy: -97.283
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: 1
=====================================
Write number: 135
Temperature: 1.100000
Total energy: -1112.969050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1112.969050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1112.969050 (E_RNA)
where:
Base-Base interactions energy: -763.388
where: short stacking energy: -324.439
Base-Backbone interact. energy: -1.111
local terms energy: -348.470169
where:
bonds (distance) C4'-P energy: -69.027
bonds (distance) P-C4' energy: -69.124
flat angles C4'-P-C4' energy: -70.086
flat angles P-C4'-P energy: -50.363
tors. eta vs tors. theta energy: -89.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 135
Temperature: 1.150000
Total energy: -949.334083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -949.334083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -949.334083 (E_RNA)
where:
Base-Base interactions energy: -639.715
where: short stacking energy: -281.635
Base-Backbone interact. energy: -0.205
local terms energy: -309.414672
where:
bonds (distance) C4'-P energy: -63.675
bonds (distance) P-C4' energy: -50.804
flat angles C4'-P-C4' energy: -80.719
flat angles P-C4'-P energy: -47.561
tors. eta vs tors. theta energy: -66.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 135
Temperature: 1.200000
Total energy: -893.333852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -893.333852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -893.333852 (E_RNA)
where:
Base-Base interactions energy: -598.071
where: short stacking energy: -261.971
Base-Backbone interact. energy: -3.060
local terms energy: -292.203251
where:
bonds (distance) C4'-P energy: -67.619
bonds (distance) P-C4' energy: -66.486
flat angles C4'-P-C4' energy: -53.938
flat angles P-C4'-P energy: -48.276
tors. eta vs tors. theta energy: -55.884
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: 7
=====================================
Write number: 135
Temperature: 1.250000
Total energy: -794.963274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -794.963274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -794.963274 (E_RNA)
where:
Base-Base interactions energy: -515.770
where: short stacking energy: -223.418
Base-Backbone interact. energy: -1.363
local terms energy: -277.831022
where:
bonds (distance) C4'-P energy: -62.627
bonds (distance) P-C4' energy: -73.900
flat angles C4'-P-C4' energy: -61.621
flat angles P-C4'-P energy: -38.815
tors. eta vs tors. theta energy: -40.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 135
Temperature: 1.300000
Total energy: -589.825108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -589.825108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -589.825108 (E_RNA)
where:
Base-Base interactions energy: -357.369
where: short stacking energy: -141.305
Base-Backbone interact. energy: -0.977
local terms energy: -232.026630
where:
bonds (distance) C4'-P energy: -63.258
bonds (distance) P-C4' energy: -73.883
flat angles C4'-P-C4' energy: -44.225
flat angles P-C4'-P energy: -38.113
tors. eta vs tors. theta energy: -12.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.548 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 135
Temperature: 1.350000
Total energy: -491.433404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.433404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.433404 (E_RNA)
where:
Base-Base interactions energy: -297.932
where: short stacking energy: -162.224
Base-Backbone interact. energy: 2.852
local terms energy: -196.353859
where:
bonds (distance) C4'-P energy: -55.552
bonds (distance) P-C4' energy: -59.300
flat angles C4'-P-C4' energy: -54.846
flat angles P-C4'-P energy: -14.151
tors. eta vs tors. theta energy: -12.505
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: 1, replica: 3
=====================================
Write number: 136
Temperature: 0.900000
Total energy: -1355.255518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1355.255518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1355.255518 (E_RNA)
where:
Base-Base interactions energy: -938.475
where: short stacking energy: -392.144
Base-Backbone interact. energy: -2.488
local terms energy: -415.472122
where:
bonds (distance) C4'-P energy: -80.374
bonds (distance) P-C4' energy: -78.236
flat angles C4'-P-C4' energy: -90.502
flat angles P-C4'-P energy: -52.214
tors. eta vs tors. theta energy: -114.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.180 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 136
Temperature: 0.950000
Total energy: -1267.716758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1267.716758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1267.716758 (E_RNA)
where:
Base-Base interactions energy: -888.714
where: short stacking energy: -376.576
Base-Backbone interact. energy: -2.749
local terms energy: -376.253662
where:
bonds (distance) C4'-P energy: -69.374
bonds (distance) P-C4' energy: -66.496
flat angles C4'-P-C4' energy: -81.290
flat angles P-C4'-P energy: -48.857
tors. eta vs tors. theta energy: -110.236
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: 2
=====================================
Write number: 136
Temperature: 1.000000
Total energy: -1186.252064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1186.252064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1186.252064 (E_RNA)
where:
Base-Base interactions energy: -834.351
where: short stacking energy: -347.884
Base-Backbone interact. energy: -2.160
local terms energy: -349.740510
where:
bonds (distance) C4'-P energy: -59.121
bonds (distance) P-C4' energy: -74.527
flat angles C4'-P-C4' energy: -67.225
flat angles P-C4'-P energy: -60.305
tors. eta vs tors. theta energy: -88.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 136
Temperature: 1.050000
Total energy: -1153.880715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1153.880715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1153.880715 (E_RNA)
where:
Base-Base interactions energy: -803.447
where: short stacking energy: -325.151
Base-Backbone interact. energy: -0.243
local terms energy: -350.190385
where:
bonds (distance) C4'-P energy: -72.599
bonds (distance) P-C4' energy: -69.231
flat angles C4'-P-C4' energy: -72.840
flat angles P-C4'-P energy: -45.837
tors. eta vs tors. theta energy: -89.683
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: 1
=====================================
Write number: 136
Temperature: 1.100000
Total energy: -1069.710630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1069.710630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1069.710630 (E_RNA)
where:
Base-Base interactions energy: -718.369
where: short stacking energy: -316.322
Base-Backbone interact. energy: -1.937
local terms energy: -349.404601
where:
bonds (distance) C4'-P energy: -68.990
bonds (distance) P-C4' energy: -61.898
flat angles C4'-P-C4' energy: -86.652
flat angles P-C4'-P energy: -45.423
tors. eta vs tors. theta energy: -86.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 136
Temperature: 1.150000
Total energy: -955.058314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -955.058314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -955.058314 (E_RNA)
where:
Base-Base interactions energy: -633.217
where: short stacking energy: -290.911
Base-Backbone interact. energy: -0.078
local terms energy: -321.762970
where:
bonds (distance) C4'-P energy: -66.472
bonds (distance) P-C4' energy: -66.559
flat angles C4'-P-C4' energy: -76.047
flat angles P-C4'-P energy: -55.623
tors. eta vs tors. theta energy: -57.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 136
Temperature: 1.200000
Total energy: -914.996351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -914.996351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -914.996351 (E_RNA)
where:
Base-Base interactions energy: -612.059
where: short stacking energy: -248.576
Base-Backbone interact. energy: -2.208
local terms energy: -300.729498
where:
bonds (distance) C4'-P energy: -54.722
bonds (distance) P-C4' energy: -66.477
flat angles C4'-P-C4' energy: -81.276
flat angles P-C4'-P energy: -39.421
tors. eta vs tors. theta energy: -58.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 136
Temperature: 1.250000
Total energy: -795.251253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -795.251253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -795.251253 (E_RNA)
where:
Base-Base interactions energy: -485.320
where: short stacking energy: -215.266
Base-Backbone interact. energy: 0.814
local terms energy: -310.745294
where:
bonds (distance) C4'-P energy: -62.796
bonds (distance) P-C4' energy: -77.266
flat angles C4'-P-C4' energy: -74.123
flat angles P-C4'-P energy: -43.376
tors. eta vs tors. theta energy: -53.184
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: 9
=====================================
Write number: 136
Temperature: 1.300000
Total energy: -620.857805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -620.857805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -620.857805 (E_RNA)
where:
Base-Base interactions energy: -389.270
where: short stacking energy: -187.673
Base-Backbone interact. energy: 0.016
local terms energy: -231.603555
where:
bonds (distance) C4'-P energy: -42.999
bonds (distance) P-C4' energy: -65.743
flat angles C4'-P-C4' energy: -69.525
flat angles P-C4'-P energy: -28.178
tors. eta vs tors. theta energy: -25.159
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: 4
=====================================
Write number: 136
Temperature: 1.350000
Total energy: -521.917948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.917948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.917948 (E_RNA)
where:
Base-Base interactions energy: -312.425
where: short stacking energy: -154.119
Base-Backbone interact. energy: -0.191
local terms energy: -209.302259
where:
bonds (distance) C4'-P energy: -52.128
bonds (distance) P-C4' energy: -60.218
flat angles C4'-P-C4' energy: -37.682
flat angles P-C4'-P energy: -42.437
tors. eta vs tors. theta energy: -16.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 137
Temperature: 0.900000
Total energy: -1349.294309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1349.294309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1349.294309 (E_RNA)
where:
Base-Base interactions energy: -941.846
where: short stacking energy: -394.808
Base-Backbone interact. energy: 0.427
local terms energy: -409.149480
where:
bonds (distance) C4'-P energy: -76.539
bonds (distance) P-C4' energy: -85.689
flat angles C4'-P-C4' energy: -91.057
flat angles P-C4'-P energy: -49.920
tors. eta vs tors. theta energy: -105.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.274 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 137
Temperature: 0.950000
Total energy: -1277.854612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1277.854612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1277.854612 (E_RNA)
where:
Base-Base interactions energy: -888.896
where: short stacking energy: -384.903
Base-Backbone interact. energy: -2.315
local terms energy: -386.643118
where:
bonds (distance) C4'-P energy: -61.175
bonds (distance) P-C4' energy: -87.628
flat angles C4'-P-C4' energy: -80.043
flat angles P-C4'-P energy: -51.081
tors. eta vs tors. theta energy: -106.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 137
Temperature: 1.000000
Total energy: -1211.776751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1211.776751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1211.776751 (E_RNA)
where:
Base-Base interactions energy: -855.209
where: short stacking energy: -346.602
Base-Backbone interact. energy: -5.061
local terms energy: -354.715096
where:
bonds (distance) C4'-P energy: -79.210
bonds (distance) P-C4' energy: -64.779
flat angles C4'-P-C4' energy: -67.592
flat angles P-C4'-P energy: -52.974
tors. eta vs tors. theta energy: -90.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 3.208 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 137
Temperature: 1.050000
Total energy: -1185.412613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1185.412613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1185.412613 (E_RNA)
where:
Base-Base interactions energy: -806.922
where: short stacking energy: -339.355
Base-Backbone interact. energy: -2.999
local terms energy: -375.491953
where:
bonds (distance) C4'-P energy: -64.774
bonds (distance) P-C4' energy: -74.402
flat angles C4'-P-C4' energy: -80.332
flat angles P-C4'-P energy: -63.111
tors. eta vs tors. theta energy: -92.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 137
Temperature: 1.100000
Total energy: -1107.259668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1107.259668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1107.259668 (E_RNA)
where:
Base-Base interactions energy: -741.493
where: short stacking energy: -318.466
Base-Backbone interact. energy: -0.594
local terms energy: -365.173508
where:
bonds (distance) C4'-P energy: -66.763
bonds (distance) P-C4' energy: -77.542
flat angles C4'-P-C4' energy: -86.007
flat angles P-C4'-P energy: -52.893
tors. eta vs tors. theta energy: -81.969
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: 6
=====================================
Write number: 137
Temperature: 1.150000
Total energy: -973.745908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -973.745908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -973.745908 (E_RNA)
where:
Base-Base interactions energy: -656.367
where: short stacking energy: -282.418
Base-Backbone interact. energy: -1.662
local terms energy: -315.716610
where:
bonds (distance) C4'-P energy: -61.864
bonds (distance) P-C4' energy: -62.129
flat angles C4'-P-C4' energy: -71.071
flat angles P-C4'-P energy: -50.670
tors. eta vs tors. theta energy: -69.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 137
Temperature: 1.200000
Total energy: -939.601035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -939.601035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -939.601035 (E_RNA)
where:
Base-Base interactions energy: -627.200
where: short stacking energy: -296.544
Base-Backbone interact. energy: 1.713
local terms energy: -314.113529
where:
bonds (distance) C4'-P energy: -61.931
bonds (distance) P-C4' energy: -62.164
flat angles C4'-P-C4' energy: -78.455
flat angles P-C4'-P energy: -43.190
tors. eta vs tors. theta energy: -68.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 137
Temperature: 1.250000
Total energy: -786.080513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -786.080513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -786.080513 (E_RNA)
where:
Base-Base interactions energy: -482.801
where: short stacking energy: -215.090
Base-Backbone interact. energy: -1.635
local terms energy: -301.643711
where:
bonds (distance) C4'-P energy: -59.723
bonds (distance) P-C4' energy: -72.866
flat angles C4'-P-C4' energy: -73.603
flat angles P-C4'-P energy: -53.538
tors. eta vs tors. theta energy: -41.914
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: 9, replica: 9
=====================================
Write number: 137
Temperature: 1.300000
Total energy: -631.080696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -631.080696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -631.080696 (E_RNA)
where:
Base-Base interactions energy: -393.773
where: short stacking energy: -174.372
Base-Backbone interact. energy: -1.265
local terms energy: -236.042975
where:
bonds (distance) C4'-P energy: -55.008
bonds (distance) P-C4' energy: -61.117
flat angles C4'-P-C4' energy: -50.994
flat angles P-C4'-P energy: -40.039
tors. eta vs tors. theta energy: -28.884
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: 4
=====================================
Write number: 137
Temperature: 1.350000
Total energy: -514.867756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.867756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.867756 (E_RNA)
where:
Base-Base interactions energy: -263.919
where: short stacking energy: -153.808
Base-Backbone interact. energy: 0.382
local terms energy: -251.329845
where:
bonds (distance) C4'-P energy: -60.864
bonds (distance) P-C4' energy: -75.087
flat angles C4'-P-C4' energy: -58.879
flat angles P-C4'-P energy: -41.652
tors. eta vs tors. theta energy: -14.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 138
Temperature: 0.900000
Total energy: -1381.009847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1381.009847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1381.009847 (E_RNA)
where:
Base-Base interactions energy: -968.621
where: short stacking energy: -394.150
Base-Backbone interact. energy: -1.521
local terms energy: -410.868178
where:
bonds (distance) C4'-P energy: -78.350
bonds (distance) P-C4' energy: -81.949
flat angles C4'-P-C4' energy: -81.303
flat angles P-C4'-P energy: -55.020
tors. eta vs tors. theta energy: -114.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 138
Temperature: 0.950000
Total energy: -1271.300664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1271.300664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1271.300664 (E_RNA)
where:
Base-Base interactions energy: -877.651
where: short stacking energy: -370.562
Base-Backbone interact. energy: -0.619
local terms energy: -393.030439
where:
bonds (distance) C4'-P energy: -74.015
bonds (distance) P-C4' energy: -68.054
flat angles C4'-P-C4' energy: -85.217
flat angles P-C4'-P energy: -60.468
tors. eta vs tors. theta energy: -105.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 138
Temperature: 1.000000
Total energy: -1194.003574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1194.003574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1194.003574 (E_RNA)
where:
Base-Base interactions energy: -799.682
where: short stacking energy: -343.422
Base-Backbone interact. energy: -4.816
local terms energy: -389.505749
where:
bonds (distance) C4'-P energy: -69.554
bonds (distance) P-C4' energy: -77.777
flat angles C4'-P-C4' energy: -83.600
flat angles P-C4'-P energy: -62.331
tors. eta vs tors. theta energy: -96.244
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: 2
=====================================
Write number: 138
Temperature: 1.050000
Total energy: -1181.294234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1181.294234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1181.294234 (E_RNA)
where:
Base-Base interactions energy: -824.500
where: short stacking energy: -351.055
Base-Backbone interact. energy: -0.104
local terms energy: -356.690366
where:
bonds (distance) C4'-P energy: -49.985
bonds (distance) P-C4' energy: -72.442
flat angles C4'-P-C4' energy: -81.474
flat angles P-C4'-P energy: -65.308
tors. eta vs tors. theta energy: -87.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 138
Temperature: 1.100000
Total energy: -992.194256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -992.194256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -992.194256 (E_RNA)
where:
Base-Base interactions energy: -673.609
where: short stacking energy: -278.066
Base-Backbone interact. energy: -2.183
local terms energy: -316.402970
where:
bonds (distance) C4'-P energy: -62.202
bonds (distance) P-C4' energy: -70.196
flat angles C4'-P-C4' energy: -65.720
flat angles P-C4'-P energy: -53.858
tors. eta vs tors. theta energy: -64.427
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: 6, replica: 1
=====================================
Write number: 138
Temperature: 1.150000
Total energy: -1098.684920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1098.684920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1098.684920 (E_RNA)
where:
Base-Base interactions energy: -749.984
where: short stacking energy: -321.456
Base-Backbone interact. energy: -1.828
local terms energy: -346.873439
where:
bonds (distance) C4'-P energy: -63.853
bonds (distance) P-C4' energy: -73.781
flat angles C4'-P-C4' energy: -76.677
flat angles P-C4'-P energy: -48.441
tors. eta vs tors. theta energy: -84.122
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: 138
Temperature: 1.200000
Total energy: -904.325206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -904.325206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -904.325206 (E_RNA)
where:
Base-Base interactions energy: -596.222
where: short stacking energy: -285.710
Base-Backbone interact. energy: 0.824
local terms energy: -308.927419
where:
bonds (distance) C4'-P energy: -61.776
bonds (distance) P-C4' energy: -75.818
flat angles C4'-P-C4' energy: -73.912
flat angles P-C4'-P energy: -27.543
tors. eta vs tors. theta energy: -69.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 138
Temperature: 1.250000
Total energy: -826.637771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -826.637771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -826.637771 (E_RNA)
where:
Base-Base interactions energy: -542.049
where: short stacking energy: -234.646
Base-Backbone interact. energy: -0.962
local terms energy: -283.626304
where:
bonds (distance) C4'-P energy: -54.532
bonds (distance) P-C4' energy: -69.443
flat angles C4'-P-C4' energy: -61.978
flat angles P-C4'-P energy: -38.789
tors. eta vs tors. theta energy: -58.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 138
Temperature: 1.300000
Total energy: -647.918442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -647.918442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -647.918442 (E_RNA)
where:
Base-Base interactions energy: -402.075
where: short stacking energy: -177.130
Base-Backbone interact. energy: -1.565
local terms energy: -244.278510
where:
bonds (distance) C4'-P energy: -65.140
bonds (distance) P-C4' energy: -49.773
flat angles C4'-P-C4' energy: -75.795
flat angles P-C4'-P energy: -37.015
tors. eta vs tors. theta energy: -16.556
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: 138
Temperature: 1.350000
Total energy: -511.418795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.418795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.418795 (E_RNA)
where:
Base-Base interactions energy: -289.574
where: short stacking energy: -152.008
Base-Backbone interact. energy: 0.990
local terms energy: -222.834986
where:
bonds (distance) C4'-P energy: -58.665
bonds (distance) P-C4' energy: -69.060
flat angles C4'-P-C4' energy: -60.414
flat angles P-C4'-P energy: -26.553
tors. eta vs tors. theta energy: -8.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 139
Temperature: 0.900000
Total energy: -1355.686124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1355.686124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1355.686124 (E_RNA)
where:
Base-Base interactions energy: -939.940
where: short stacking energy: -407.311
Base-Backbone interact. energy: 0.948
local terms energy: -416.694104
where:
bonds (distance) C4'-P energy: -78.961
bonds (distance) P-C4' energy: -71.164
flat angles C4'-P-C4' energy: -86.846
flat angles P-C4'-P energy: -59.729
tors. eta vs tors. theta energy: -119.994
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: 2, replica: 8
=====================================
Write number: 139
Temperature: 0.950000
Total energy: -1286.187088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1286.187088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1286.187088 (E_RNA)
where:
Base-Base interactions energy: -874.103
where: short stacking energy: -363.113
Base-Backbone interact. energy: -1.781
local terms energy: -410.302753
where:
bonds (distance) C4'-P energy: -75.879
bonds (distance) P-C4' energy: -77.371
flat angles C4'-P-C4' energy: -91.365
flat angles P-C4'-P energy: -59.401
tors. eta vs tors. theta energy: -106.287
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: 5
=====================================
Write number: 139
Temperature: 1.000000
Total energy: -1197.090313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1197.090313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1197.090313 (E_RNA)
where:
Base-Base interactions energy: -813.502
where: short stacking energy: -361.070
Base-Backbone interact. energy: -1.434
local terms energy: -382.153858
where:
bonds (distance) C4'-P energy: -66.727
bonds (distance) P-C4' energy: -74.118
flat angles C4'-P-C4' energy: -78.590
flat angles P-C4'-P energy: -56.781
tors. eta vs tors. theta energy: -105.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 139
Temperature: 1.050000
Total energy: -1193.022250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1193.022250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1193.022250 (E_RNA)
where:
Base-Base interactions energy: -825.372
where: short stacking energy: -362.236
Base-Backbone interact. energy: -1.248
local terms energy: -366.402288
where:
bonds (distance) C4'-P energy: -66.269
bonds (distance) P-C4' energy: -69.595
flat angles C4'-P-C4' energy: -81.138
flat angles P-C4'-P energy: -50.951
tors. eta vs tors. theta energy: -98.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 139
Temperature: 1.100000
Total energy: -992.597594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -992.597594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -992.597594 (E_RNA)
where:
Base-Base interactions energy: -672.930
where: short stacking energy: -287.956
Base-Backbone interact. energy: -1.136
local terms energy: -318.532297
where:
bonds (distance) C4'-P energy: -59.678
bonds (distance) P-C4' energy: -66.377
flat angles C4'-P-C4' energy: -72.741
flat angles P-C4'-P energy: -44.046
tors. eta vs tors. theta energy: -75.690
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: 6, replica: 1
=====================================
Write number: 139
Temperature: 1.150000
Total energy: -1013.716192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1013.716192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1013.716192 (E_RNA)
where:
Base-Base interactions energy: -675.661
where: short stacking energy: -295.320
Base-Backbone interact. energy: 1.659
local terms energy: -339.713780
where:
bonds (distance) C4'-P energy: -73.961
bonds (distance) P-C4' energy: -75.911
flat angles C4'-P-C4' energy: -70.132
flat angles P-C4'-P energy: -52.537
tors. eta vs tors. theta energy: -67.173
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: 10
=====================================
Write number: 139
Temperature: 1.200000
Total energy: -921.716518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -921.716518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -921.716518 (E_RNA)
where:
Base-Base interactions energy: -609.978
where: short stacking energy: -273.202
Base-Backbone interact. energy: 1.092
local terms energy: -312.830824
where:
bonds (distance) C4'-P energy: -64.886
bonds (distance) P-C4' energy: -65.175
flat angles C4'-P-C4' energy: -70.022
flat angles P-C4'-P energy: -48.991
tors. eta vs tors. theta energy: -63.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 139
Temperature: 1.250000
Total energy: -817.892378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -817.892378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -817.892378 (E_RNA)
where:
Base-Base interactions energy: -520.135
where: short stacking energy: -231.523
Base-Backbone interact. energy: -1.710
local terms energy: -296.047485
where:
bonds (distance) C4'-P energy: -50.876
bonds (distance) P-C4' energy: -70.197
flat angles C4'-P-C4' energy: -69.992
flat angles P-C4'-P energy: -44.751
tors. eta vs tors. theta energy: -60.231
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: 9, replica: 9
=====================================
Write number: 139
Temperature: 1.300000
Total energy: -637.532169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -637.532169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -637.532169 (E_RNA)
where:
Base-Base interactions energy: -392.884
where: short stacking energy: -168.377
Base-Backbone interact. energy: -1.871
local terms energy: -242.777704
where:
bonds (distance) C4'-P energy: -56.006
bonds (distance) P-C4' energy: -66.605
flat angles C4'-P-C4' energy: -66.367
flat angles P-C4'-P energy: -35.383
tors. eta vs tors. theta energy: -18.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 139
Temperature: 1.350000
Total energy: -503.104797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.104797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.104797 (E_RNA)
where:
Base-Base interactions energy: -259.207
where: short stacking energy: -119.158
Base-Backbone interact. energy: 1.154
local terms energy: -245.051706
where:
bonds (distance) C4'-P energy: -69.884
bonds (distance) P-C4' energy: -75.610
flat angles C4'-P-C4' energy: -53.686
flat angles P-C4'-P energy: -39.807
tors. eta vs tors. theta energy: -6.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 140
Temperature: 0.900000
Total energy: -1363.764079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1363.764079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1363.764079 (E_RNA)
where:
Base-Base interactions energy: -940.828
where: short stacking energy: -398.495
Base-Backbone interact. energy: -2.536
local terms energy: -420.400168
where:
bonds (distance) C4'-P energy: -79.069
bonds (distance) P-C4' energy: -79.546
flat angles C4'-P-C4' energy: -82.820
flat angles P-C4'-P energy: -63.368
tors. eta vs tors. theta energy: -115.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 140
Temperature: 0.950000
Total energy: -1290.130950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1290.130950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1290.130950 (E_RNA)
where:
Base-Base interactions energy: -902.335
where: short stacking energy: -377.260
Base-Backbone interact. energy: -2.519
local terms energy: -385.276949
where:
bonds (distance) C4'-P energy: -73.288
bonds (distance) P-C4' energy: -73.152
flat angles C4'-P-C4' energy: -80.507
flat angles P-C4'-P energy: -51.940
tors. eta vs tors. theta energy: -106.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 140
Temperature: 1.000000
Total energy: -1227.276413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1227.276413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1227.276413 (E_RNA)
where:
Base-Base interactions energy: -851.423
where: short stacking energy: -382.101
Base-Backbone interact. energy: 0.242
local terms energy: -376.094660
where:
bonds (distance) C4'-P energy: -73.300
bonds (distance) P-C4' energy: -69.272
flat angles C4'-P-C4' energy: -83.726
flat angles P-C4'-P energy: -47.234
tors. eta vs tors. theta energy: -102.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 140
Temperature: 1.050000
Total energy: -1172.428697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1172.428697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1172.428697 (E_RNA)
where:
Base-Base interactions energy: -809.401
where: short stacking energy: -332.482
Base-Backbone interact. energy: -3.014
local terms energy: -360.013538
where:
bonds (distance) C4'-P energy: -71.860
bonds (distance) P-C4' energy: -71.220
flat angles C4'-P-C4' energy: -62.481
flat angles P-C4'-P energy: -63.004
tors. eta vs tors. theta energy: -91.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 140
Temperature: 1.100000
Total energy: -1049.172886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1049.172886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1049.172886 (E_RNA)
where:
Base-Base interactions energy: -721.310
where: short stacking energy: -324.931
Base-Backbone interact. energy: -1.631
local terms energy: -326.231032
where:
bonds (distance) C4'-P energy: -54.991
bonds (distance) P-C4' energy: -62.210
flat angles C4'-P-C4' energy: -75.930
flat angles P-C4'-P energy: -49.768
tors. eta vs tors. theta energy: -83.331
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: 6
=====================================
Write number: 140
Temperature: 1.150000
Total energy: -1008.709282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1008.709282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1008.709282 (E_RNA)
where:
Base-Base interactions energy: -671.352
where: short stacking energy: -265.014
Base-Backbone interact. energy: -1.670
local terms energy: -335.688106
where:
bonds (distance) C4'-P energy: -61.394
bonds (distance) P-C4' energy: -72.194
flat angles C4'-P-C4' energy: -76.258
flat angles P-C4'-P energy: -51.559
tors. eta vs tors. theta energy: -74.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 140
Temperature: 1.200000
Total energy: -892.874918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -892.874918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -892.874918 (E_RNA)
where:
Base-Base interactions energy: -586.642
where: short stacking energy: -266.351
Base-Backbone interact. energy: 1.679
local terms energy: -307.911969
where:
bonds (distance) C4'-P energy: -63.889
bonds (distance) P-C4' energy: -66.661
flat angles C4'-P-C4' energy: -59.552
flat angles P-C4'-P energy: -50.689
tors. eta vs tors. theta energy: -67.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 140
Temperature: 1.250000
Total energy: -810.487096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -810.487096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -810.487096 (E_RNA)
where:
Base-Base interactions energy: -540.153
where: short stacking energy: -223.053
Base-Backbone interact. energy: -2.453
local terms energy: -268.331892
where:
bonds (distance) C4'-P energy: -63.745
bonds (distance) P-C4' energy: -61.979
flat angles C4'-P-C4' energy: -63.375
flat angles P-C4'-P energy: -32.862
tors. eta vs tors. theta energy: -46.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.451 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 140
Temperature: 1.300000
Total energy: -655.606056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -655.606056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -655.606056 (E_RNA)
where:
Base-Base interactions energy: -388.074
where: short stacking energy: -176.688
Base-Backbone interact. energy: 0.296
local terms energy: -268.907002
where:
bonds (distance) C4'-P energy: -63.045
bonds (distance) P-C4' energy: -56.533
flat angles C4'-P-C4' energy: -74.857
flat angles P-C4'-P energy: -45.336
tors. eta vs tors. theta energy: -29.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.079 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 140
Temperature: 1.350000
Total energy: -496.086996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.086996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.086996 (E_RNA)
where:
Base-Base interactions energy: -281.886
where: short stacking energy: -150.122
Base-Backbone interact. energy: 3.311
local terms energy: -217.511173
where:
bonds (distance) C4'-P energy: -44.456
bonds (distance) P-C4' energy: -65.824
flat angles C4'-P-C4' energy: -59.929
flat angles P-C4'-P energy: -36.682
tors. eta vs tors. theta energy: -10.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 141
Temperature: 0.900000
Total energy: -1339.111502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1339.111502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1339.111502 (E_RNA)
where:
Base-Base interactions energy: -931.573
where: short stacking energy: -383.340
Base-Backbone interact. energy: -2.818
local terms energy: -404.720602
where:
bonds (distance) C4'-P energy: -77.768
bonds (distance) P-C4' energy: -83.685
flat angles C4'-P-C4' energy: -82.861
flat angles P-C4'-P energy: -55.807
tors. eta vs tors. theta energy: -104.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 141
Temperature: 0.950000
Total energy: -1285.191947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1285.191947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1285.191947 (E_RNA)
where:
Base-Base interactions energy: -879.641
where: short stacking energy: -366.077
Base-Backbone interact. energy: -1.281
local terms energy: -404.269449
where:
bonds (distance) C4'-P energy: -77.287
bonds (distance) P-C4' energy: -76.659
flat angles C4'-P-C4' energy: -82.983
flat angles P-C4'-P energy: -58.747
tors. eta vs tors. theta energy: -108.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 141
Temperature: 1.000000
Total energy: -1245.321139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1245.321139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1245.321139 (E_RNA)
where:
Base-Base interactions energy: -861.233
where: short stacking energy: -344.123
Base-Backbone interact. energy: 0.603
local terms energy: -384.691262
where:
bonds (distance) C4'-P energy: -65.729
bonds (distance) P-C4' energy: -75.046
flat angles C4'-P-C4' energy: -87.086
flat angles P-C4'-P energy: -56.752
tors. eta vs tors. theta energy: -100.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 141
Temperature: 1.050000
Total energy: -1202.531448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1202.531448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1202.531448 (E_RNA)
where:
Base-Base interactions energy: -828.052
where: short stacking energy: -332.426
Base-Backbone interact. energy: 0.432
local terms energy: -374.912072
where:
bonds (distance) C4'-P energy: -76.268
bonds (distance) P-C4' energy: -75.712
flat angles C4'-P-C4' energy: -85.269
flat angles P-C4'-P energy: -47.490
tors. eta vs tors. theta energy: -90.173
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: 1
=====================================
Write number: 141
Temperature: 1.100000
Total energy: -1067.805461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1067.805461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1067.805461 (E_RNA)
where:
Base-Base interactions energy: -703.528
where: short stacking energy: -327.691
Base-Backbone interact. energy: -0.484
local terms energy: -363.792815
where:
bonds (distance) C4'-P energy: -65.350
bonds (distance) P-C4' energy: -65.521
flat angles C4'-P-C4' energy: -79.734
flat angles P-C4'-P energy: -64.948
tors. eta vs tors. theta energy: -88.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 141
Temperature: 1.150000
Total energy: -940.689689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -940.689689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -940.689689 (E_RNA)
where:
Base-Base interactions energy: -631.485
where: short stacking energy: -286.311
Base-Backbone interact. energy: 0.824
local terms energy: -310.028298
where:
bonds (distance) C4'-P energy: -66.794
bonds (distance) P-C4' energy: -62.336
flat angles C4'-P-C4' energy: -61.835
flat angles P-C4'-P energy: -47.657
tors. eta vs tors. theta energy: -71.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 141
Temperature: 1.200000
Total energy: -932.407036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -932.407036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -932.407036 (E_RNA)
where:
Base-Base interactions energy: -640.127
where: short stacking energy: -286.266
Base-Backbone interact. energy: 6.981
local terms energy: -301.388430
where:
bonds (distance) C4'-P energy: -62.854
bonds (distance) P-C4' energy: -65.279
flat angles C4'-P-C4' energy: -60.505
flat angles P-C4'-P energy: -44.804
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: 2.127 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 141
Temperature: 1.250000
Total energy: -782.425127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -782.425127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -782.425127 (E_RNA)
where:
Base-Base interactions energy: -482.128
where: short stacking energy: -204.485
Base-Backbone interact. energy: -3.297
local terms energy: -297.000253
where:
bonds (distance) C4'-P energy: -50.000
bonds (distance) P-C4' energy: -75.152
flat angles C4'-P-C4' energy: -70.435
flat angles P-C4'-P energy: -52.570
tors. eta vs tors. theta energy: -48.844
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: 9
=====================================
Write number: 141
Temperature: 1.300000
Total energy: -617.046309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -617.046309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -617.046309 (E_RNA)
where:
Base-Base interactions energy: -400.064
where: short stacking energy: -192.216
Base-Backbone interact. energy: 0.277
local terms energy: -218.165015
where:
bonds (distance) C4'-P energy: -37.710
bonds (distance) P-C4' energy: -58.258
flat angles C4'-P-C4' energy: -59.421
flat angles P-C4'-P energy: -42.174
tors. eta vs tors. theta energy: -20.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.906 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 141
Temperature: 1.350000
Total energy: -364.799594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.799594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.799594 (E_RNA)
where:
Base-Base interactions energy: -177.103
where: short stacking energy: -102.596
Base-Backbone interact. energy: 6.672
local terms energy: -194.368844
where:
bonds (distance) C4'-P energy: -52.603
bonds (distance) P-C4' energy: -78.133
flat angles C4'-P-C4' energy: -50.815
flat angles P-C4'-P energy: -25.838
tors. eta vs tors. theta energy: 13.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 142
Temperature: 0.900000
Total energy: -1358.664922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1358.664922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1358.664922 (E_RNA)
where:
Base-Base interactions energy: -950.897
where: short stacking energy: -378.257
Base-Backbone interact. energy: -2.682
local terms energy: -405.086294
where:
bonds (distance) C4'-P energy: -79.506
bonds (distance) P-C4' energy: -71.166
flat angles C4'-P-C4' energy: -78.041
flat angles P-C4'-P energy: -61.849
tors. eta vs tors. theta energy: -114.524
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: 8
=====================================
Write number: 142
Temperature: 0.950000
Total energy: -1272.078385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1272.078385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1272.078385 (E_RNA)
where:
Base-Base interactions energy: -879.783
where: short stacking energy: -383.266
Base-Backbone interact. energy: 0.577
local terms energy: -392.872192
where:
bonds (distance) C4'-P energy: -60.353
bonds (distance) P-C4' energy: -78.508
flat angles C4'-P-C4' energy: -90.610
flat angles P-C4'-P energy: -52.847
tors. eta vs tors. theta energy: -110.554
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: 5
=====================================
Write number: 142
Temperature: 1.000000
Total energy: -1269.247749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1269.247749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1269.247749 (E_RNA)
where:
Base-Base interactions energy: -877.394
where: short stacking energy: -344.663
Base-Backbone interact. energy: -1.475
local terms energy: -390.379339
where:
bonds (distance) C4'-P energy: -69.195
bonds (distance) P-C4' energy: -78.647
flat angles C4'-P-C4' energy: -81.311
flat angles P-C4'-P energy: -58.709
tors. eta vs tors. theta energy: -102.518
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: 4, replica: 2
=====================================
Write number: 142
Temperature: 1.050000
Total energy: -1191.143391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1191.143391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1191.143391 (E_RNA)
where:
Base-Base interactions energy: -829.369
where: short stacking energy: -332.016
Base-Backbone interact. energy: -1.723
local terms energy: -360.051801
where:
bonds (distance) C4'-P energy: -64.374
bonds (distance) P-C4' energy: -71.272
flat angles C4'-P-C4' energy: -79.959
flat angles P-C4'-P energy: -62.378
tors. eta vs tors. theta energy: -82.069
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: 1
=====================================
Write number: 142
Temperature: 1.100000
Total energy: -1038.656776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1038.656776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1038.656776 (E_RNA)
where:
Base-Base interactions energy: -689.397
where: short stacking energy: -297.646
Base-Backbone interact. energy: -2.579
local terms energy: -346.680833
where:
bonds (distance) C4'-P energy: -63.438
bonds (distance) P-C4' energy: -74.696
flat angles C4'-P-C4' energy: -76.421
flat angles P-C4'-P energy: -54.760
tors. eta vs tors. theta energy: -77.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 142
Temperature: 1.150000
Total energy: -1001.153895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1001.153895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1001.153895 (E_RNA)
where:
Base-Base interactions energy: -658.530
where: short stacking energy: -316.390
Base-Backbone interact. energy: -0.405
local terms energy: -342.219245
where:
bonds (distance) C4'-P energy: -72.110
bonds (distance) P-C4' energy: -64.398
flat angles C4'-P-C4' energy: -77.270
flat angles P-C4'-P energy: -45.198
tors. eta vs tors. theta energy: -83.243
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: 6
=====================================
Write number: 142
Temperature: 1.200000
Total energy: -898.315061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -898.315061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -898.315061 (E_RNA)
where:
Base-Base interactions energy: -602.058
where: short stacking energy: -254.249
Base-Backbone interact. energy: -0.206
local terms energy: -296.050463
where:
bonds (distance) C4'-P energy: -52.268
bonds (distance) P-C4' energy: -61.081
flat angles C4'-P-C4' energy: -83.784
flat angles P-C4'-P energy: -44.235
tors. eta vs tors. theta energy: -54.683
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: 7
=====================================
Write number: 142
Temperature: 1.250000
Total energy: -863.114001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -863.114001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -863.114001 (E_RNA)
where:
Base-Base interactions energy: -570.833
where: short stacking energy: -251.020
Base-Backbone interact. energy: -0.403
local terms energy: -291.877625
where:
bonds (distance) C4'-P energy: -61.058
bonds (distance) P-C4' energy: -67.107
flat angles C4'-P-C4' energy: -53.572
flat angles P-C4'-P energy: -45.624
tors. eta vs tors. theta energy: -64.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 142
Temperature: 1.300000
Total energy: -610.311361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -610.311361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -610.311361 (E_RNA)
where:
Base-Base interactions energy: -373.342
where: short stacking energy: -183.709
Base-Backbone interact. energy: 2.191
local terms energy: -240.565790
where:
bonds (distance) C4'-P energy: -55.291
bonds (distance) P-C4' energy: -50.971
flat angles C4'-P-C4' energy: -64.937
flat angles P-C4'-P energy: -45.912
tors. eta vs tors. theta energy: -23.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.406 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 142
Temperature: 1.350000
Total energy: -319.923896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.923896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.923896 (E_RNA)
where:
Base-Base interactions energy: -112.223
where: short stacking energy: -88.055
Base-Backbone interact. energy: 0.982
local terms energy: -208.683134
where:
bonds (distance) C4'-P energy: -68.125
bonds (distance) P-C4' energy: -61.218
flat angles C4'-P-C4' energy: -50.613
flat angles P-C4'-P energy: -37.927
tors. eta vs tors. theta energy: 9.201
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: 3
=====================================
Write number: 143
Temperature: 0.900000
Total energy: -1362.506731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1362.506731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1362.506731 (E_RNA)
where:
Base-Base interactions energy: -954.816
where: short stacking energy: -390.313
Base-Backbone interact. energy: 8.262
local terms energy: -415.952277
where:
bonds (distance) C4'-P energy: -72.604
bonds (distance) P-C4' energy: -88.676
flat angles C4'-P-C4' energy: -86.549
flat angles P-C4'-P energy: -56.461
tors. eta vs tors. theta energy: -111.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 143
Temperature: 0.950000
Total energy: -1305.711814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1305.711814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1305.711814 (E_RNA)
where:
Base-Base interactions energy: -901.438
where: short stacking energy: -375.947
Base-Backbone interact. energy: -1.409
local terms energy: -402.864587
where:
bonds (distance) C4'-P energy: -70.224
bonds (distance) P-C4' energy: -87.822
flat angles C4'-P-C4' energy: -80.403
flat angles P-C4'-P energy: -58.289
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: 3, replica: 5
=====================================
Write number: 143
Temperature: 1.000000
Total energy: -1282.241700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1282.241700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1282.241700 (E_RNA)
where:
Base-Base interactions energy: -886.595
where: short stacking energy: -360.705
Base-Backbone interact. energy: -2.095
local terms energy: -393.551788
where:
bonds (distance) C4'-P energy: -72.759
bonds (distance) P-C4' energy: -78.450
flat angles C4'-P-C4' energy: -70.196
flat angles P-C4'-P energy: -62.513
tors. eta vs tors. theta energy: -109.634
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: 2
=====================================
Write number: 143
Temperature: 1.050000
Total energy: -1160.079403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1160.079403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1160.079403 (E_RNA)
where:
Base-Base interactions energy: -814.497
where: short stacking energy: -311.133
Base-Backbone interact. energy: 2.065
local terms energy: -347.647109
where:
bonds (distance) C4'-P energy: -71.394
bonds (distance) P-C4' energy: -68.776
flat angles C4'-P-C4' energy: -73.987
flat angles P-C4'-P energy: -53.719
tors. eta vs tors. theta energy: -79.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 143
Temperature: 1.100000
Total energy: -1069.705376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1069.705376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1069.705376 (E_RNA)
where:
Base-Base interactions energy: -722.063
where: short stacking energy: -324.466
Base-Backbone interact. energy: 0.775
local terms energy: -348.716344
where:
bonds (distance) C4'-P energy: -65.051
bonds (distance) P-C4' energy: -73.697
flat angles C4'-P-C4' energy: -79.516
flat angles P-C4'-P energy: -50.804
tors. eta vs tors. theta energy: -79.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.298 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 143
Temperature: 1.150000
Total energy: -936.406904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -936.406904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -936.406904 (E_RNA)
where:
Base-Base interactions energy: -621.774
where: short stacking energy: -294.434
Base-Backbone interact. energy: 0.738
local terms energy: -315.370810
where:
bonds (distance) C4'-P energy: -61.561
bonds (distance) P-C4' energy: -64.877
flat angles C4'-P-C4' energy: -73.513
flat angles P-C4'-P energy: -52.548
tors. eta vs tors. theta energy: -62.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 143
Temperature: 1.200000
Total energy: -1006.977433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1006.977433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1006.977433 (E_RNA)
where:
Base-Base interactions energy: -694.991
where: short stacking energy: -272.440
Base-Backbone interact. energy: 0.353
local terms energy: -312.339753
where:
bonds (distance) C4'-P energy: -73.842
bonds (distance) P-C4' energy: -73.451
flat angles C4'-P-C4' energy: -69.309
flat angles P-C4'-P energy: -37.973
tors. eta vs tors. theta energy: -57.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 143
Temperature: 1.250000
Total energy: -878.180322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -878.180322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -878.180322 (E_RNA)
where:
Base-Base interactions energy: -562.904
where: short stacking energy: -248.492
Base-Backbone interact. energy: -0.692
local terms energy: -314.764406
where:
bonds (distance) C4'-P energy: -71.506
bonds (distance) P-C4' energy: -69.461
flat angles C4'-P-C4' energy: -73.941
flat angles P-C4'-P energy: -37.290
tors. eta vs tors. theta energy: -62.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.180 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 143
Temperature: 1.300000
Total energy: -651.773157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -651.773157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -651.773157 (E_RNA)
where:
Base-Base interactions energy: -387.565
where: short stacking energy: -181.960
Base-Backbone interact. energy: -3.125
local terms energy: -261.083012
where:
bonds (distance) C4'-P energy: -60.846
bonds (distance) P-C4' energy: -65.449
flat angles C4'-P-C4' energy: -55.387
flat angles P-C4'-P energy: -47.505
tors. eta vs tors. theta energy: -31.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 143
Temperature: 1.350000
Total energy: -320.002144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.002144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.002144 (E_RNA)
where:
Base-Base interactions energy: -114.199
where: short stacking energy: -67.753
Base-Backbone interact. energy: -3.427
local terms energy: -202.376011
where:
bonds (distance) C4'-P energy: -64.555
bonds (distance) P-C4' energy: -71.771
flat angles C4'-P-C4' energy: -50.519
flat angles P-C4'-P energy: -37.970
tors. eta vs tors. theta energy: 22.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 144
Temperature: 0.900000
Total energy: -1368.303497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1368.303497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1368.303497 (E_RNA)
where:
Base-Base interactions energy: -952.281
where: short stacking energy: -388.836
Base-Backbone interact. energy: -0.900
local terms energy: -415.123033
where:
bonds (distance) C4'-P energy: -76.036
bonds (distance) P-C4' energy: -79.191
flat angles C4'-P-C4' energy: -84.516
flat angles P-C4'-P energy: -59.398
tors. eta vs tors. theta energy: -115.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 144
Temperature: 0.950000
Total energy: -1253.605244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1253.605244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1253.605244 (E_RNA)
where:
Base-Base interactions energy: -868.796
where: short stacking energy: -358.133
Base-Backbone interact. energy: -1.855
local terms energy: -382.953931
where:
bonds (distance) C4'-P energy: -77.325
bonds (distance) P-C4' energy: -65.232
flat angles C4'-P-C4' energy: -85.092
flat angles P-C4'-P energy: -50.668
tors. eta vs tors. theta energy: -104.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 144
Temperature: 1.000000
Total energy: -1283.821014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1283.821014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1283.821014 (E_RNA)
where:
Base-Base interactions energy: -891.182
where: short stacking energy: -369.055
Base-Backbone interact. energy: -0.868
local terms energy: -391.771443
where:
bonds (distance) C4'-P energy: -70.306
bonds (distance) P-C4' energy: -75.879
flat angles C4'-P-C4' energy: -79.278
flat angles P-C4'-P energy: -61.103
tors. eta vs tors. theta energy: -105.206
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: 2
=====================================
Write number: 144
Temperature: 1.050000
Total energy: -1150.706283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1150.706283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1150.706283 (E_RNA)
where:
Base-Base interactions energy: -798.999
where: short stacking energy: -332.822
Base-Backbone interact. energy: -3.362
local terms energy: -348.344540
where:
bonds (distance) C4'-P energy: -57.055
bonds (distance) P-C4' energy: -67.181
flat angles C4'-P-C4' energy: -76.514
flat angles P-C4'-P energy: -54.699
tors. eta vs tors. theta energy: -92.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 144
Temperature: 1.100000
Total energy: -1071.893626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1071.893626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1071.893626 (E_RNA)
where:
Base-Base interactions energy: -730.875
where: short stacking energy: -328.405
Base-Backbone interact. energy: -0.511
local terms energy: -341.190914
where:
bonds (distance) C4'-P energy: -63.593
bonds (distance) P-C4' energy: -72.604
flat angles C4'-P-C4' energy: -71.775
flat angles P-C4'-P energy: -52.583
tors. eta vs tors. theta energy: -80.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.684 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 144
Temperature: 1.150000
Total energy: -947.885926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -947.885926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -947.885926 (E_RNA)
where:
Base-Base interactions energy: -606.893
where: short stacking energy: -294.474
Base-Backbone interact. energy: -0.547
local terms energy: -340.445379
where:
bonds (distance) C4'-P energy: -76.603
bonds (distance) P-C4' energy: -69.233
flat angles C4'-P-C4' energy: -68.018
flat angles P-C4'-P energy: -52.316
tors. eta vs tors. theta energy: -74.276
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: 6
=====================================
Write number: 144
Temperature: 1.200000
Total energy: -937.601330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -937.601330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -937.601330 (E_RNA)
where:
Base-Base interactions energy: -629.780
where: short stacking energy: -276.471
Base-Backbone interact. energy: 0.428
local terms energy: -308.248999
where:
bonds (distance) C4'-P energy: -62.711
bonds (distance) P-C4' energy: -68.569
flat angles C4'-P-C4' energy: -76.876
flat angles P-C4'-P energy: -45.301
tors. eta vs tors. theta energy: -54.793
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: 7
=====================================
Write number: 144
Temperature: 1.250000
Total energy: -849.112804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -849.112804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -849.112804 (E_RNA)
where:
Base-Base interactions energy: -554.810
where: short stacking energy: -255.187
Base-Backbone interact. energy: -1.254
local terms energy: -293.048237
where:
bonds (distance) C4'-P energy: -58.324
bonds (distance) P-C4' energy: -78.421
flat angles C4'-P-C4' energy: -68.548
flat angles P-C4'-P energy: -30.366
tors. eta vs tors. theta energy: -57.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 144
Temperature: 1.300000
Total energy: -645.892365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -645.892365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -645.892365 (E_RNA)
where:
Base-Base interactions energy: -390.057
where: short stacking energy: -166.507
Base-Backbone interact. energy: -1.332
local terms energy: -254.503674
where:
bonds (distance) C4'-P energy: -63.923
bonds (distance) P-C4' energy: -61.798
flat angles C4'-P-C4' energy: -67.504
flat angles P-C4'-P energy: -42.968
tors. eta vs tors. theta energy: -18.311
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: 10, replica: 4
=====================================
Write number: 144
Temperature: 1.350000
Total energy: -384.598554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.598554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.598554 (E_RNA)
where:
Base-Base interactions energy: -167.046
where: short stacking energy: -119.139
Base-Backbone interact. energy: 1.080
local terms energy: -218.632860
where:
bonds (distance) C4'-P energy: -76.559
bonds (distance) P-C4' energy: -58.193
flat angles C4'-P-C4' energy: -59.151
flat angles P-C4'-P energy: -24.374
tors. eta vs tors. theta energy: -0.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 145
Temperature: 0.900000
Total energy: -1376.978790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1376.978790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1376.978790 (E_RNA)
where:
Base-Base interactions energy: -960.785
where: short stacking energy: -397.189
Base-Backbone interact. energy: 0.212
local terms energy: -416.406138
where:
bonds (distance) C4'-P energy: -81.257
bonds (distance) P-C4' energy: -80.611
flat angles C4'-P-C4' energy: -85.926
flat angles P-C4'-P energy: -54.824
tors. eta vs tors. theta energy: -113.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 145
Temperature: 0.950000
Total energy: -1295.571833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1295.571833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1295.571833 (E_RNA)
where:
Base-Base interactions energy: -903.151
where: short stacking energy: -383.221
Base-Backbone interact. energy: -0.426
local terms energy: -391.994563
where:
bonds (distance) C4'-P energy: -78.676
bonds (distance) P-C4' energy: -76.631
flat angles C4'-P-C4' energy: -78.049
flat angles P-C4'-P energy: -49.505
tors. eta vs tors. theta energy: -109.133
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: 8
=====================================
Write number: 145
Temperature: 1.000000
Total energy: -1221.554592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1221.554592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1221.554592 (E_RNA)
where:
Base-Base interactions energy: -841.101
where: short stacking energy: -358.675
Base-Backbone interact. energy: 1.162
local terms energy: -381.615958
where:
bonds (distance) C4'-P energy: -65.931
bonds (distance) P-C4' energy: -80.768
flat angles C4'-P-C4' energy: -83.448
flat angles P-C4'-P energy: -50.198
tors. eta vs tors. theta energy: -101.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 145
Temperature: 1.050000
Total energy: -1130.907046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1130.907046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1130.907046 (E_RNA)
where:
Base-Base interactions energy: -764.824
where: short stacking energy: -315.098
Base-Backbone interact. energy: -3.184
local terms energy: -362.898540
where:
bonds (distance) C4'-P energy: -70.366
bonds (distance) P-C4' energy: -77.745
flat angles C4'-P-C4' energy: -71.833
flat angles P-C4'-P energy: -52.112
tors. eta vs tors. theta energy: -90.843
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: 5, replica: 1
=====================================
Write number: 145
Temperature: 1.100000
Total energy: -1042.837095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1042.837095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1042.837095 (E_RNA)
where:
Base-Base interactions energy: -711.443
where: short stacking energy: -330.700
Base-Backbone interact. energy: -1.914
local terms energy: -329.480598
where:
bonds (distance) C4'-P energy: -54.919
bonds (distance) P-C4' energy: -65.296
flat angles C4'-P-C4' energy: -78.708
flat angles P-C4'-P energy: -42.637
tors. eta vs tors. theta energy: -87.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 145
Temperature: 1.150000
Total energy: -936.295897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -936.295897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -936.295897 (E_RNA)
where:
Base-Base interactions energy: -618.728
where: short stacking energy: -292.245
Base-Backbone interact. energy: -1.081
local terms energy: -316.487069
where:
bonds (distance) C4'-P energy: -52.278
bonds (distance) P-C4' energy: -68.408
flat angles C4'-P-C4' energy: -70.931
flat angles P-C4'-P energy: -42.948
tors. eta vs tors. theta energy: -81.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 145
Temperature: 1.200000
Total energy: -898.735932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -898.735932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -898.735932 (E_RNA)
where:
Base-Base interactions energy: -603.922
where: short stacking energy: -235.997
Base-Backbone interact. energy: -1.355
local terms energy: -293.458802
where:
bonds (distance) C4'-P energy: -73.062
bonds (distance) P-C4' energy: -72.008
flat angles C4'-P-C4' energy: -62.232
flat angles P-C4'-P energy: -39.833
tors. eta vs tors. theta energy: -46.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 145
Temperature: 1.250000
Total energy: -855.545265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -855.545265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -855.545265 (E_RNA)
where:
Base-Base interactions energy: -579.789
where: short stacking energy: -252.195
Base-Backbone interact. energy: 0.671
local terms energy: -276.427070
where:
bonds (distance) C4'-P energy: -54.579
bonds (distance) P-C4' energy: -74.412
flat angles C4'-P-C4' energy: -55.850
flat angles P-C4'-P energy: -28.250
tors. eta vs tors. theta energy: -63.336
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: 9, replica: 9
=====================================
Write number: 145
Temperature: 1.300000
Total energy: -594.077599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -594.077599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -594.077599 (E_RNA)
where:
Base-Base interactions energy: -362.043
where: short stacking energy: -178.395
Base-Backbone interact. energy: -0.087
local terms energy: -231.947762
where:
bonds (distance) C4'-P energy: -47.409
bonds (distance) P-C4' energy: -60.892
flat angles C4'-P-C4' energy: -66.881
flat angles P-C4'-P energy: -30.064
tors. eta vs tors. theta energy: -26.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 145
Temperature: 1.350000
Total energy: -377.552769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.552769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -377.552769 (E_RNA)
where:
Base-Base interactions energy: -178.406
where: short stacking energy: -123.105
Base-Backbone interact. energy: 0.673
local terms energy: -199.819536
where:
bonds (distance) C4'-P energy: -52.542
bonds (distance) P-C4' energy: -63.273
flat angles C4'-P-C4' energy: -62.176
flat angles P-C4'-P energy: -36.718
tors. eta vs tors. theta energy: 14.890
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: 1, replica: 3
=====================================
Write number: 146
Temperature: 0.900000
Total energy: -1358.765095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1358.765095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1358.765095 (E_RNA)
where:
Base-Base interactions energy: -956.025
where: short stacking energy: -398.258
Base-Backbone interact. energy: 0.878
local terms energy: -403.618723
where:
bonds (distance) C4'-P energy: -76.917
bonds (distance) P-C4' energy: -74.589
flat angles C4'-P-C4' energy: -92.709
flat angles P-C4'-P energy: -49.388
tors. eta vs tors. theta energy: -110.016
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: 5
=====================================
Write number: 146
Temperature: 0.950000
Total energy: -1299.993807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1299.993807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1299.993807 (E_RNA)
where:
Base-Base interactions energy: -896.874
where: short stacking energy: -371.603
Base-Backbone interact. energy: -0.542
local terms energy: -402.577505
where:
bonds (distance) C4'-P energy: -70.382
bonds (distance) P-C4' energy: -72.561
flat angles C4'-P-C4' energy: -84.007
flat angles P-C4'-P energy: -62.671
tors. eta vs tors. theta energy: -112.956
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: 8
=====================================
Write number: 146
Temperature: 1.000000
Total energy: -1224.150172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1224.150172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1224.150172 (E_RNA)
where:
Base-Base interactions energy: -828.893
where: short stacking energy: -364.563
Base-Backbone interact. energy: -3.263
local terms energy: -391.994472
where:
bonds (distance) C4'-P energy: -75.235
bonds (distance) P-C4' energy: -71.887
flat angles C4'-P-C4' energy: -82.196
flat angles P-C4'-P energy: -58.765
tors. eta vs tors. theta energy: -103.913
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: 4, replica: 2
=====================================
Write number: 146
Temperature: 1.050000
Total energy: -1189.388759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1189.388759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1189.388759 (E_RNA)
where:
Base-Base interactions energy: -831.304
where: short stacking energy: -358.830
Base-Backbone interact. energy: -3.015
local terms energy: -355.069820
where:
bonds (distance) C4'-P energy: -57.908
bonds (distance) P-C4' energy: -76.215
flat angles C4'-P-C4' energy: -70.864
flat angles P-C4'-P energy: -54.962
tors. eta vs tors. theta energy: -95.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 146
Temperature: 1.100000
Total energy: -999.417199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -999.417199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -999.417199 (E_RNA)
where:
Base-Base interactions energy: -647.912
where: short stacking energy: -278.991
Base-Backbone interact. energy: -0.613
local terms energy: -350.892862
where:
bonds (distance) C4'-P energy: -68.830
bonds (distance) P-C4' energy: -77.699
flat angles C4'-P-C4' energy: -67.749
flat angles P-C4'-P energy: -62.071
tors. eta vs tors. theta energy: -74.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 146
Temperature: 1.150000
Total energy: -952.111356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -952.111356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -952.111356 (E_RNA)
where:
Base-Base interactions energy: -634.245
where: short stacking energy: -286.633
Base-Backbone interact. energy: -1.434
local terms energy: -316.432225
where:
bonds (distance) C4'-P energy: -69.889
bonds (distance) P-C4' energy: -68.598
flat angles C4'-P-C4' energy: -69.653
flat angles P-C4'-P energy: -44.088
tors. eta vs tors. theta energy: -64.204
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: 7, replica: 6
=====================================
Write number: 146
Temperature: 1.200000
Total energy: -939.985471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -939.985471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -939.985471 (E_RNA)
where:
Base-Base interactions energy: -657.414
where: short stacking energy: -255.290
Base-Backbone interact. energy: 0.576
local terms energy: -283.147500
where:
bonds (distance) C4'-P energy: -63.909
bonds (distance) P-C4' energy: -71.497
flat angles C4'-P-C4' energy: -55.991
flat angles P-C4'-P energy: -39.512
tors. eta vs tors. theta energy: -52.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 146
Temperature: 1.250000
Total energy: -847.681345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -847.681345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -847.681345 (E_RNA)
where:
Base-Base interactions energy: -548.781
where: short stacking energy: -229.051
Base-Backbone interact. energy: -2.307
local terms energy: -296.592737
where:
bonds (distance) C4'-P energy: -61.589
bonds (distance) P-C4' energy: -68.952
flat angles C4'-P-C4' energy: -66.163
flat angles P-C4'-P energy: -46.455
tors. eta vs tors. theta energy: -53.435
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: 9
=====================================
Write number: 146
Temperature: 1.300000
Total energy: -634.559221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -634.559221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -634.559221 (E_RNA)
where:
Base-Base interactions energy: -370.647
where: short stacking energy: -196.252
Base-Backbone interact. energy: -2.075
local terms energy: -261.836941
where:
bonds (distance) C4'-P energy: -56.288
bonds (distance) P-C4' energy: -70.579
flat angles C4'-P-C4' energy: -69.710
flat angles P-C4'-P energy: -34.358
tors. eta vs tors. theta energy: -30.903
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: 10, replica: 4
=====================================
Write number: 146
Temperature: 1.350000
Total energy: -379.296477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.296477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.296477 (E_RNA)
where:
Base-Base interactions energy: -185.213
where: short stacking energy: -103.215
Base-Backbone interact. energy: 2.094
local terms energy: -196.177679
where:
bonds (distance) C4'-P energy: -49.536
bonds (distance) P-C4' energy: -68.426
flat angles C4'-P-C4' energy: -54.521
flat angles P-C4'-P energy: -24.773
tors. eta vs tors. theta energy: 1.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 147
Temperature: 0.900000
Total energy: -1361.534091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1361.534091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1361.534091 (E_RNA)
where:
Base-Base interactions energy: -953.110
where: short stacking energy: -397.239
Base-Backbone interact. energy: -1.446
local terms energy: -406.977707
where:
bonds (distance) C4'-P energy: -71.328
bonds (distance) P-C4' energy: -76.903
flat angles C4'-P-C4' energy: -89.111
flat angles P-C4'-P energy: -52.892
tors. eta vs tors. theta energy: -116.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 147
Temperature: 0.950000
Total energy: -1312.071911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1312.071911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1312.071911 (E_RNA)
where:
Base-Base interactions energy: -906.804
where: short stacking energy: -384.261
Base-Backbone interact. energy: -2.074
local terms energy: -403.193397
where:
bonds (distance) C4'-P energy: -72.358
bonds (distance) P-C4' energy: -73.836
flat angles C4'-P-C4' energy: -86.854
flat angles P-C4'-P energy: -61.380
tors. eta vs tors. theta energy: -108.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 147
Temperature: 1.000000
Total energy: -1240.124044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1240.124044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1240.124044 (E_RNA)
where:
Base-Base interactions energy: -831.373
where: short stacking energy: -353.495
Base-Backbone interact. energy: -1.063
local terms energy: -407.688604
where:
bonds (distance) C4'-P energy: -71.368
bonds (distance) P-C4' energy: -83.888
flat angles C4'-P-C4' energy: -89.435
flat angles P-C4'-P energy: -58.320
tors. eta vs tors. theta energy: -104.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 147
Temperature: 1.050000
Total energy: -1184.566702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1184.566702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1184.566702 (E_RNA)
where:
Base-Base interactions energy: -832.884
where: short stacking energy: -337.988
Base-Backbone interact. energy: 1.665
local terms energy: -353.347745
where:
bonds (distance) C4'-P energy: -74.733
bonds (distance) P-C4' energy: -71.786
flat angles C4'-P-C4' energy: -73.120
flat angles P-C4'-P energy: -42.200
tors. eta vs tors. theta energy: -91.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 147
Temperature: 1.100000
Total energy: -1064.064788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1064.064788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1064.064788 (E_RNA)
where:
Base-Base interactions energy: -706.133
where: short stacking energy: -329.886
Base-Backbone interact. energy: 0.139
local terms energy: -358.071088
where:
bonds (distance) C4'-P energy: -60.813
bonds (distance) P-C4' energy: -76.655
flat angles C4'-P-C4' energy: -82.021
flat angles P-C4'-P energy: -52.865
tors. eta vs tors. theta energy: -85.716
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: 6, replica: 6
=====================================
Write number: 147
Temperature: 1.150000
Total energy: -1060.713711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1060.713711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1060.713711 (E_RNA)
where:
Base-Base interactions energy: -734.816
where: short stacking energy: -300.677
Base-Backbone interact. energy: -1.685
local terms energy: -324.212979
where:
bonds (distance) C4'-P energy: -68.540
bonds (distance) P-C4' energy: -66.975
flat angles C4'-P-C4' energy: -72.365
flat angles P-C4'-P energy: -43.562
tors. eta vs tors. theta energy: -72.771
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: 7, replica: 10
=====================================
Write number: 147
Temperature: 1.200000
Total energy: -913.309621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -913.309621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -913.309621 (E_RNA)
where:
Base-Base interactions energy: -590.373
where: short stacking energy: -271.863
Base-Backbone interact. energy: -1.083
local terms energy: -321.854392
where:
bonds (distance) C4'-P energy: -68.207
bonds (distance) P-C4' energy: -69.496
flat angles C4'-P-C4' energy: -63.324
flat angles P-C4'-P energy: -47.206
tors. eta vs tors. theta energy: -73.622
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: 7
=====================================
Write number: 147
Temperature: 1.250000
Total energy: -850.712321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -850.712321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -850.712321 (E_RNA)
where:
Base-Base interactions energy: -569.003
where: short stacking energy: -246.178
Base-Backbone interact. energy: 3.100
local terms energy: -284.809724
where:
bonds (distance) C4'-P energy: -50.475
bonds (distance) P-C4' energy: -66.697
flat angles C4'-P-C4' energy: -65.502
flat angles P-C4'-P energy: -39.285
tors. eta vs tors. theta energy: -62.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 147
Temperature: 1.300000
Total energy: -640.727800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -640.727800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -640.727800 (E_RNA)
where:
Base-Base interactions energy: -393.100
where: short stacking energy: -191.311
Base-Backbone interact. energy: 3.110
local terms energy: -250.738631
where:
bonds (distance) C4'-P energy: -61.647
bonds (distance) P-C4' energy: -67.682
flat angles C4'-P-C4' energy: -50.895
flat angles P-C4'-P energy: -31.394
tors. eta vs tors. theta energy: -39.120
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: 147
Temperature: 1.350000
Total energy: -408.102185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.102185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.102185 (E_RNA)
where:
Base-Base interactions energy: -217.288
where: short stacking energy: -113.505
Base-Backbone interact. energy: -1.635
local terms energy: -189.179065
where:
bonds (distance) C4'-P energy: -56.095
bonds (distance) P-C4' energy: -59.321
flat angles C4'-P-C4' energy: -63.219
flat angles P-C4'-P energy: -20.297
tors. eta vs tors. theta energy: 9.753
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: 3
=====================================
Write number: 148
Temperature: 0.900000
Total energy: -1375.203847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1375.203847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1375.203847 (E_RNA)
where:
Base-Base interactions energy: -962.451
where: short stacking energy: -387.708
Base-Backbone interact. energy: -0.904
local terms energy: -411.849293
where:
bonds (distance) C4'-P energy: -75.261
bonds (distance) P-C4' energy: -83.617
flat angles C4'-P-C4' energy: -87.556
flat angles P-C4'-P energy: -54.587
tors. eta vs tors. theta energy: -110.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 148
Temperature: 0.950000
Total energy: -1350.136286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1350.136286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1350.136286 (E_RNA)
where:
Base-Base interactions energy: -938.473
where: short stacking energy: -402.013
Base-Backbone interact. energy: -0.422
local terms energy: -411.241906
where:
bonds (distance) C4'-P energy: -80.724
bonds (distance) P-C4' energy: -71.598
flat angles C4'-P-C4' energy: -86.712
flat angles P-C4'-P energy: -52.474
tors. eta vs tors. theta energy: -119.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 148
Temperature: 1.000000
Total energy: -1219.764503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1219.764503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1219.764503 (E_RNA)
where:
Base-Base interactions energy: -842.282
where: short stacking energy: -345.631
Base-Backbone interact. energy: -2.405
local terms energy: -375.076681
where:
bonds (distance) C4'-P energy: -77.677
bonds (distance) P-C4' energy: -66.182
flat angles C4'-P-C4' energy: -80.683
flat angles P-C4'-P energy: -44.434
tors. eta vs tors. theta energy: -106.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 148
Temperature: 1.050000
Total energy: -1196.371361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1196.371361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1196.371361 (E_RNA)
where:
Base-Base interactions energy: -817.216
where: short stacking energy: -345.882
Base-Backbone interact. energy: -5.326
local terms energy: -373.828812
where:
bonds (distance) C4'-P energy: -67.286
bonds (distance) P-C4' energy: -81.906
flat angles C4'-P-C4' energy: -78.308
flat angles P-C4'-P energy: -53.226
tors. eta vs tors. theta energy: -93.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 148
Temperature: 1.100000
Total energy: -1041.850769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1041.850769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1041.850769 (E_RNA)
where:
Base-Base interactions energy: -716.876
where: short stacking energy: -302.748
Base-Backbone interact. energy: -0.647
local terms energy: -324.328291
where:
bonds (distance) C4'-P energy: -69.265
bonds (distance) P-C4' energy: -64.734
flat angles C4'-P-C4' energy: -78.889
flat angles P-C4'-P energy: -41.847
tors. eta vs tors. theta energy: -69.593
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: 148
Temperature: 1.150000
Total energy: -970.057440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -970.057440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -970.057440 (E_RNA)
where:
Base-Base interactions energy: -640.683
where: short stacking energy: -286.598
Base-Backbone interact. energy: 1.662
local terms energy: -331.036782
where:
bonds (distance) C4'-P energy: -63.345
bonds (distance) P-C4' energy: -71.163
flat angles C4'-P-C4' energy: -76.351
flat angles P-C4'-P energy: -41.646
tors. eta vs tors. theta energy: -78.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 148
Temperature: 1.200000
Total energy: -866.906114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -866.906114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -866.906114 (E_RNA)
where:
Base-Base interactions energy: -569.366
where: short stacking energy: -258.004
Base-Backbone interact. energy: -1.961
local terms energy: -295.579882
where:
bonds (distance) C4'-P energy: -60.370
bonds (distance) P-C4' energy: -70.757
flat angles C4'-P-C4' energy: -70.075
flat angles P-C4'-P energy: -35.838
tors. eta vs tors. theta energy: -58.539
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: 148
Temperature: 1.250000
Total energy: -863.876076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -863.876076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -863.876076 (E_RNA)
where:
Base-Base interactions energy: -558.476
where: short stacking energy: -243.679
Base-Backbone interact. energy: -1.668
local terms energy: -303.731611
where:
bonds (distance) C4'-P energy: -59.427
bonds (distance) P-C4' energy: -64.802
flat angles C4'-P-C4' energy: -67.102
flat angles P-C4'-P energy: -45.681
tors. eta vs tors. theta energy: -66.720
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: 9
=====================================
Write number: 148
Temperature: 1.300000
Total energy: -610.337953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -610.337953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -610.337953 (E_RNA)
where:
Base-Base interactions energy: -388.764
where: short stacking energy: -190.492
Base-Backbone interact. energy: 3.429
local terms energy: -225.002870
where:
bonds (distance) C4'-P energy: -41.695
bonds (distance) P-C4' energy: -58.433
flat angles C4'-P-C4' energy: -61.913
flat angles P-C4'-P energy: -35.988
tors. eta vs tors. theta energy: -26.974
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: 4
=====================================
Write number: 148
Temperature: 1.350000
Total energy: -386.996035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.996035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.996035 (E_RNA)
where:
Base-Base interactions energy: -177.160
where: short stacking energy: -106.833
Base-Backbone interact. energy: -0.775
local terms energy: -209.061694
where:
bonds (distance) C4'-P energy: -53.838
bonds (distance) P-C4' energy: -58.706
flat angles C4'-P-C4' energy: -61.177
flat angles P-C4'-P energy: -29.016
tors. eta vs tors. theta energy: -6.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 149
Temperature: 0.900000
Total energy: -1349.325760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1349.325760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1349.325760 (E_RNA)
where:
Base-Base interactions energy: -935.521
where: short stacking energy: -393.813
Base-Backbone interact. energy: 0.230
local terms energy: -414.034982
where:
bonds (distance) C4'-P energy: -76.068
bonds (distance) P-C4' energy: -84.356
flat angles C4'-P-C4' energy: -79.325
flat angles P-C4'-P energy: -57.361
tors. eta vs tors. theta energy: -116.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 149
Temperature: 0.950000
Total energy: -1311.114565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1311.114565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1311.114565 (E_RNA)
where:
Base-Base interactions energy: -921.910
where: short stacking energy: -399.629
Base-Backbone interact. energy: -3.751
local terms energy: -385.454249
where:
bonds (distance) C4'-P energy: -68.465
bonds (distance) P-C4' energy: -73.950
flat angles C4'-P-C4' energy: -87.716
flat angles P-C4'-P energy: -43.987
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: 8
=====================================
Write number: 149
Temperature: 1.000000
Total energy: -1198.271463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1198.271463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1198.271463 (E_RNA)
where:
Base-Base interactions energy: -829.757
where: short stacking energy: -347.319
Base-Backbone interact. energy: -4.016
local terms energy: -364.498426
where:
bonds (distance) C4'-P energy: -73.808
bonds (distance) P-C4' energy: -66.324
flat angles C4'-P-C4' energy: -82.331
flat angles P-C4'-P energy: -43.342
tors. eta vs tors. theta energy: -98.695
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: 2
=====================================
Write number: 149
Temperature: 1.050000
Total energy: -1216.441003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1216.441003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1216.441003 (E_RNA)
where:
Base-Base interactions energy: -827.354
where: short stacking energy: -339.529
Base-Backbone interact. energy: -3.997
local terms energy: -385.090114
where:
bonds (distance) C4'-P energy: -76.677
bonds (distance) P-C4' energy: -74.948
flat angles C4'-P-C4' energy: -86.350
flat angles P-C4'-P energy: -49.240
tors. eta vs tors. theta energy: -97.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 149
Temperature: 1.100000
Total energy: -1113.924314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1113.924314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1113.924314 (E_RNA)
where:
Base-Base interactions energy: -768.506
where: short stacking energy: -320.118
Base-Backbone interact. energy: -1.417
local terms energy: -344.001280
where:
bonds (distance) C4'-P energy: -73.368
bonds (distance) P-C4' energy: -63.704
flat angles C4'-P-C4' energy: -77.579
flat angles P-C4'-P energy: -51.329
tors. eta vs tors. theta energy: -78.022
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: 6, replica: 1
=====================================
Write number: 149
Temperature: 1.150000
Total energy: -883.675876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -883.675876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -883.675876 (E_RNA)
where:
Base-Base interactions energy: -568.753
where: short stacking energy: -251.908
Base-Backbone interact. energy: -2.203
local terms energy: -312.719905
where:
bonds (distance) C4'-P energy: -71.547
bonds (distance) P-C4' energy: -68.094
flat angles C4'-P-C4' energy: -67.278
flat angles P-C4'-P energy: -48.106
tors. eta vs tors. theta energy: -57.695
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: 7, replica: 7
=====================================
Write number: 149
Temperature: 1.200000
Total energy: -915.441150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -915.441150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -915.441150 (E_RNA)
where:
Base-Base interactions energy: -618.892
where: short stacking energy: -281.917
Base-Backbone interact. energy: 0.455
local terms energy: -297.004320
where:
bonds (distance) C4'-P energy: -64.355
bonds (distance) P-C4' energy: -56.875
flat angles C4'-P-C4' energy: -64.140
flat angles P-C4'-P energy: -46.890
tors. eta vs tors. theta energy: -64.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 149
Temperature: 1.250000
Total energy: -843.126110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -843.126110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -843.126110 (E_RNA)
where:
Base-Base interactions energy: -528.573
where: short stacking energy: -246.077
Base-Backbone interact. energy: -0.709
local terms energy: -313.843990
where:
bonds (distance) C4'-P energy: -62.083
bonds (distance) P-C4' energy: -61.116
flat angles C4'-P-C4' energy: -75.316
flat angles P-C4'-P energy: -58.537
tors. eta vs tors. theta energy: -56.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 149
Temperature: 1.300000
Total energy: -605.143000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -605.143000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -605.143000 (E_RNA)
where:
Base-Base interactions energy: -366.622
where: short stacking energy: -168.047
Base-Backbone interact. energy: 1.066
local terms energy: -239.586877
where:
bonds (distance) C4'-P energy: -59.430
bonds (distance) P-C4' energy: -71.065
flat angles C4'-P-C4' energy: -65.773
flat angles P-C4'-P energy: -25.212
tors. eta vs tors. theta energy: -18.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 149
Temperature: 1.350000
Total energy: -364.531952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.531952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.531952 (E_RNA)
where:
Base-Base interactions energy: -165.383
where: short stacking energy: -100.444
Base-Backbone interact. energy: 8.517
local terms energy: -207.666510
where:
bonds (distance) C4'-P energy: -54.588
bonds (distance) P-C4' energy: -63.530
flat angles C4'-P-C4' energy: -53.289
flat angles P-C4'-P energy: -49.909
tors. eta vs tors. theta energy: 13.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 150
Temperature: 0.900000
Total energy: -1349.218159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1349.218159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1349.218159 (E_RNA)
where:
Base-Base interactions energy: -957.665
where: short stacking energy: -407.837
Base-Backbone interact. energy: -1.893
local terms energy: -389.659657
where:
bonds (distance) C4'-P energy: -71.637
bonds (distance) P-C4' energy: -72.979
flat angles C4'-P-C4' energy: -76.674
flat angles P-C4'-P energy: -54.642
tors. eta vs tors. theta energy: -113.728
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: 2, replica: 3
=====================================
Write number: 150
Temperature: 0.950000
Total energy: -1329.460524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1329.460524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1329.460524 (E_RNA)
where:
Base-Base interactions energy: -922.721
where: short stacking energy: -402.718
Base-Backbone interact. energy: 0.043
local terms energy: -406.782410
where:
bonds (distance) C4'-P energy: -69.652
bonds (distance) P-C4' energy: -74.324
flat angles C4'-P-C4' energy: -85.222
flat angles P-C4'-P energy: -61.912
tors. eta vs tors. theta energy: -115.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 150
Temperature: 1.000000
Total energy: -1227.979540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1227.979540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1227.979540 (E_RNA)
where:
Base-Base interactions energy: -847.126
where: short stacking energy: -355.673
Base-Backbone interact. energy: -1.120
local terms energy: -379.733480
where:
bonds (distance) C4'-P energy: -69.680
bonds (distance) P-C4' energy: -74.775
flat angles C4'-P-C4' energy: -81.659
flat angles P-C4'-P energy: -58.915
tors. eta vs tors. theta energy: -94.705
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: 4, replica: 8
=====================================
Write number: 150
Temperature: 1.050000
Total energy: -1195.146310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1195.146310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1195.146310 (E_RNA)
where:
Base-Base interactions energy: -830.171
where: short stacking energy: -339.583
Base-Backbone interact. energy: -1.475
local terms energy: -363.499755
where:
bonds (distance) C4'-P energy: -71.897
bonds (distance) P-C4' energy: -76.022
flat angles C4'-P-C4' energy: -76.725
flat angles P-C4'-P energy: -38.610
tors. eta vs tors. theta energy: -100.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 150
Temperature: 1.100000
Total energy: -1062.572214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1062.572214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1062.572214 (E_RNA)
where:
Base-Base interactions energy: -725.939
where: short stacking energy: -306.195
Base-Backbone interact. energy: -0.772
local terms energy: -337.276336
where:
bonds (distance) C4'-P energy: -61.209
bonds (distance) P-C4' energy: -70.576
flat angles C4'-P-C4' energy: -75.096
flat angles P-C4'-P energy: -50.065
tors. eta vs tors. theta energy: -80.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.415 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 150
Temperature: 1.150000
Total energy: -934.366177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -934.366177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -934.366177 (E_RNA)
where:
Base-Base interactions energy: -581.965
where: short stacking energy: -290.772
Base-Backbone interact. energy: -2.426
local terms energy: -349.975169
where:
bonds (distance) C4'-P energy: -72.061
bonds (distance) P-C4' energy: -69.542
flat angles C4'-P-C4' energy: -82.624
flat angles P-C4'-P energy: -53.418
tors. eta vs tors. theta energy: -72.331
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: 150
Temperature: 1.200000
Total energy: -902.443923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -902.443923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -902.443923 (E_RNA)
where:
Base-Base interactions energy: -579.672
where: short stacking energy: -281.325
Base-Backbone interact. energy: 0.286
local terms energy: -323.057738
where:
bonds (distance) C4'-P energy: -69.261
bonds (distance) P-C4' energy: -63.008
flat angles C4'-P-C4' energy: -65.839
flat angles P-C4'-P energy: -46.282
tors. eta vs tors. theta energy: -78.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 150
Temperature: 1.250000
Total energy: -882.779772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -882.779772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -882.779772 (E_RNA)
where:
Base-Base interactions energy: -563.655
where: short stacking energy: -242.228
Base-Backbone interact. energy: -1.064
local terms energy: -318.060309
where:
bonds (distance) C4'-P energy: -71.969
bonds (distance) P-C4' energy: -62.440
flat angles C4'-P-C4' energy: -73.496
flat angles P-C4'-P energy: -44.489
tors. eta vs tors. theta energy: -65.668
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: 9
=====================================
Write number: 150
Temperature: 1.300000
Total energy: -625.791539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -625.791539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -625.791539 (E_RNA)
where:
Base-Base interactions energy: -366.904
where: short stacking energy: -157.189
Base-Backbone interact. energy: -2.149
local terms energy: -256.738120
where:
bonds (distance) C4'-P energy: -56.026
bonds (distance) P-C4' energy: -74.216
flat angles C4'-P-C4' energy: -69.367
flat angles P-C4'-P energy: -37.212
tors. eta vs tors. theta energy: -19.918
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: 10, replica: 4
=====================================
Write number: 150
Temperature: 1.350000
Total energy: -396.025923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.025923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.025923 (E_RNA)
where:
Base-Base interactions energy: -175.626
where: short stacking energy: -119.767
Base-Backbone interact. energy: -0.890
local terms energy: -219.509788
where:
bonds (distance) C4'-P energy: -55.872
bonds (distance) P-C4' energy: -68.119
flat angles C4'-P-C4' energy: -60.532
flat angles P-C4'-P energy: -26.897
tors. eta vs tors. theta energy: -8.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 151
Temperature: 0.900000
Total energy: -1356.032770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1356.032770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1356.032770 (E_RNA)
where:
Base-Base interactions energy: -923.347
where: short stacking energy: -390.398
Base-Backbone interact. energy: -0.791
local terms energy: -431.894856
where:
bonds (distance) C4'-P energy: -81.544
bonds (distance) P-C4' energy: -78.899
flat angles C4'-P-C4' energy: -90.518
flat angles P-C4'-P energy: -65.071
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: 3
=====================================
Write number: 151
Temperature: 0.950000
Total energy: -1358.110897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1358.110897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1358.110897 (E_RNA)
where:
Base-Base interactions energy: -936.453
where: short stacking energy: -405.266
Base-Backbone interact. energy: 3.306
local terms energy: -424.964334
where:
bonds (distance) C4'-P energy: -78.463
bonds (distance) P-C4' energy: -74.505
flat angles C4'-P-C4' energy: -78.791
flat angles P-C4'-P energy: -66.466
tors. eta vs tors. theta energy: -126.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 151
Temperature: 1.000000
Total energy: -1227.269747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1227.269747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1227.269747 (E_RNA)
where:
Base-Base interactions energy: -839.297
where: short stacking energy: -365.399
Base-Backbone interact. energy: -3.839
local terms energy: -384.134327
where:
bonds (distance) C4'-P energy: -70.308
bonds (distance) P-C4' energy: -75.808
flat angles C4'-P-C4' energy: -82.366
flat angles P-C4'-P energy: -55.966
tors. eta vs tors. theta energy: -99.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 151
Temperature: 1.050000
Total energy: -1204.230411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1204.230411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1204.230411 (E_RNA)
where:
Base-Base interactions energy: -825.606
where: short stacking energy: -355.399
Base-Backbone interact. energy: 0.110
local terms energy: -378.874616
where:
bonds (distance) C4'-P energy: -76.169
bonds (distance) P-C4' energy: -67.861
flat angles C4'-P-C4' energy: -76.398
flat angles P-C4'-P energy: -52.990
tors. eta vs tors. theta energy: -105.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.141 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 151
Temperature: 1.100000
Total energy: -1089.010848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1089.010848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1089.010848 (E_RNA)
where:
Base-Base interactions energy: -765.214
where: short stacking energy: -303.581
Base-Backbone interact. energy: 3.783
local terms energy: -327.579184
where:
bonds (distance) C4'-P energy: -59.499
bonds (distance) P-C4' energy: -73.440
flat angles C4'-P-C4' energy: -69.075
flat angles P-C4'-P energy: -50.560
tors. eta vs tors. theta energy: -75.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 151
Temperature: 1.150000
Total energy: -990.657623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -990.657623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -990.657623 (E_RNA)
where:
Base-Base interactions energy: -645.010
where: short stacking energy: -264.944
Base-Backbone interact. energy: -1.328
local terms energy: -345.126913
where:
bonds (distance) C4'-P energy: -71.289
bonds (distance) P-C4' energy: -76.255
flat angles C4'-P-C4' energy: -78.720
flat angles P-C4'-P energy: -48.114
tors. eta vs tors. theta energy: -70.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.807 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 151
Temperature: 1.200000
Total energy: -886.600935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -886.600935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -886.600935 (E_RNA)
where:
Base-Base interactions energy: -544.595
where: short stacking energy: -254.588
Base-Backbone interact. energy: -0.997
local terms energy: -341.009304
where:
bonds (distance) C4'-P energy: -69.590
bonds (distance) P-C4' energy: -79.895
flat angles C4'-P-C4' energy: -76.821
flat angles P-C4'-P energy: -43.622
tors. eta vs tors. theta energy: -71.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 151
Temperature: 1.250000
Total energy: -882.656562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -882.656562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -882.656562 (E_RNA)
where:
Base-Base interactions energy: -587.485
where: short stacking energy: -271.940
Base-Backbone interact. energy: 3.075
local terms energy: -298.246586
where:
bonds (distance) C4'-P energy: -60.997
bonds (distance) P-C4' energy: -62.508
flat angles C4'-P-C4' energy: -61.489
flat angles P-C4'-P energy: -43.182
tors. eta vs tors. theta energy: -70.070
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: 9
=====================================
Write number: 151
Temperature: 1.300000
Total energy: -657.175782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -657.175782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -657.175782 (E_RNA)
where:
Base-Base interactions energy: -398.822
where: short stacking energy: -189.662
Base-Backbone interact. energy: 0.801
local terms energy: -259.154368
where:
bonds (distance) C4'-P energy: -53.778
bonds (distance) P-C4' energy: -68.749
flat angles C4'-P-C4' energy: -68.013
flat angles P-C4'-P energy: -41.784
tors. eta vs tors. theta energy: -26.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 151
Temperature: 1.350000
Total energy: -397.856035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.856035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -397.856035 (E_RNA)
where:
Base-Base interactions energy: -178.785
where: short stacking energy: -112.234
Base-Backbone interact. energy: -1.131
local terms energy: -217.940018
where:
bonds (distance) C4'-P energy: -54.271
bonds (distance) P-C4' energy: -72.020
flat angles C4'-P-C4' energy: -60.102
flat angles P-C4'-P energy: -20.367
tors. eta vs tors. theta energy: -11.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 152
Temperature: 0.900000
Total energy: -1354.229213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1354.229213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1354.229213 (E_RNA)
where:
Base-Base interactions energy: -930.255
where: short stacking energy: -391.348
Base-Backbone interact. energy: -0.872
local terms energy: -423.102240
where:
bonds (distance) C4'-P energy: -85.814
bonds (distance) P-C4' energy: -78.130
flat angles C4'-P-C4' energy: -80.083
flat angles P-C4'-P energy: -61.652
tors. eta vs tors. theta energy: -117.422
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: 152
Temperature: 0.950000
Total energy: -1316.609216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1316.609216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1316.609216 (E_RNA)
where:
Base-Base interactions energy: -893.044
where: short stacking energy: -383.992
Base-Backbone interact. energy: 0.965
local terms energy: -424.613847
where:
bonds (distance) C4'-P energy: -75.911
bonds (distance) P-C4' energy: -81.045
flat angles C4'-P-C4' energy: -85.325
flat angles P-C4'-P energy: -68.395
tors. eta vs tors. theta energy: -113.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.083 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 152
Temperature: 1.000000
Total energy: -1229.282724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1229.282724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1229.282724 (E_RNA)
where:
Base-Base interactions energy: -847.822
where: short stacking energy: -361.355
Base-Backbone interact. energy: -1.498
local terms energy: -379.963180
where:
bonds (distance) C4'-P energy: -69.773
bonds (distance) P-C4' energy: -69.548
flat angles C4'-P-C4' energy: -83.119
flat angles P-C4'-P energy: -48.290
tors. eta vs tors. theta energy: -109.234
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: 2
=====================================
Write number: 152
Temperature: 1.050000
Total energy: -1190.869742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1190.869742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1190.869742 (E_RNA)
where:
Base-Base interactions energy: -817.515
where: short stacking energy: -334.561
Base-Backbone interact. energy: 0.350
local terms energy: -373.704841
where:
bonds (distance) C4'-P energy: -70.072
bonds (distance) P-C4' energy: -71.649
flat angles C4'-P-C4' energy: -87.296
flat angles P-C4'-P energy: -59.191
tors. eta vs tors. theta energy: -85.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 152
Temperature: 1.100000
Total energy: -1059.756683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1059.756683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1059.756683 (E_RNA)
where:
Base-Base interactions energy: -731.739
where: short stacking energy: -287.262
Base-Backbone interact. energy: -2.338
local terms energy: -325.679812
where:
bonds (distance) C4'-P energy: -68.072
bonds (distance) P-C4' energy: -60.543
flat angles C4'-P-C4' energy: -81.327
flat angles P-C4'-P energy: -56.929
tors. eta vs tors. theta energy: -58.809
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: 152
Temperature: 1.150000
Total energy: -976.053067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -976.053067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -976.053067 (E_RNA)
where:
Base-Base interactions energy: -661.701
where: short stacking energy: -277.927
Base-Backbone interact. energy: -0.775
local terms energy: -313.577033
where:
bonds (distance) C4'-P energy: -67.705
bonds (distance) P-C4' energy: -68.871
flat angles C4'-P-C4' energy: -63.676
flat angles P-C4'-P energy: -53.262
tors. eta vs tors. theta energy: -60.063
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: 7
=====================================
Write number: 152
Temperature: 1.200000
Total energy: -863.112998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -863.112998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -863.112998 (E_RNA)
where:
Base-Base interactions energy: -546.327
where: short stacking energy: -259.216
Base-Backbone interact. energy: -2.748
local terms energy: -314.038145
where:
bonds (distance) C4'-P energy: -79.446
bonds (distance) P-C4' energy: -60.507
flat angles C4'-P-C4' energy: -75.247
flat angles P-C4'-P energy: -39.492
tors. eta vs tors. theta energy: -59.347
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: 10
=====================================
Write number: 152
Temperature: 1.250000
Total energy: -860.865350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -860.865350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -860.865350 (E_RNA)
where:
Base-Base interactions energy: -557.370
where: short stacking energy: -276.804
Base-Backbone interact. energy: -1.733
local terms energy: -301.763051
where:
bonds (distance) C4'-P energy: -66.203
bonds (distance) P-C4' energy: -63.267
flat angles C4'-P-C4' energy: -65.880
flat angles P-C4'-P energy: -43.714
tors. eta vs tors. theta energy: -62.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 152
Temperature: 1.300000
Total energy: -639.652138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -639.652138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -639.652138 (E_RNA)
where:
Base-Base interactions energy: -355.757
where: short stacking energy: -168.966
Base-Backbone interact. energy: -1.397
local terms energy: -282.498057
where:
bonds (distance) C4'-P energy: -65.862
bonds (distance) P-C4' energy: -70.345
flat angles C4'-P-C4' energy: -60.350
flat angles P-C4'-P energy: -46.427
tors. eta vs tors. theta energy: -39.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 152
Temperature: 1.350000
Total energy: -451.264289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.264289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.264289 (E_RNA)
where:
Base-Base interactions energy: -224.873
where: short stacking energy: -113.869
Base-Backbone interact. energy: -0.106
local terms energy: -226.284914
where:
bonds (distance) C4'-P energy: -62.143
bonds (distance) P-C4' energy: -61.585
flat angles C4'-P-C4' energy: -64.665
flat angles P-C4'-P energy: -30.509
tors. eta vs tors. theta energy: -7.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 153
Temperature: 0.900000
Total energy: -1368.925882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1368.925882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1368.925882 (E_RNA)
where:
Base-Base interactions energy: -965.198
where: short stacking energy: -409.654
Base-Backbone interact. energy: -1.850
local terms energy: -401.877012
where:
bonds (distance) C4'-P energy: -74.061
bonds (distance) P-C4' energy: -76.901
flat angles C4'-P-C4' energy: -73.838
flat angles P-C4'-P energy: -54.699
tors. eta vs tors. theta energy: -122.378
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: 3
=====================================
Write number: 153
Temperature: 0.950000
Total energy: -1336.932548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1336.932548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1336.932548 (E_RNA)
where:
Base-Base interactions energy: -919.772
where: short stacking energy: -389.055
Base-Backbone interact. energy: 0.204
local terms energy: -417.365043
where:
bonds (distance) C4'-P energy: -81.811
bonds (distance) P-C4' energy: -81.604
flat angles C4'-P-C4' energy: -85.574
flat angles P-C4'-P energy: -50.569
tors. eta vs tors. theta energy: -117.808
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: 3, replica: 8
=====================================
Write number: 153
Temperature: 1.000000
Total energy: -1213.241545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1213.241545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1213.241545 (E_RNA)
where:
Base-Base interactions energy: -829.516
where: short stacking energy: -352.246
Base-Backbone interact. energy: -2.959
local terms energy: -380.766825
where:
bonds (distance) C4'-P energy: -75.034
bonds (distance) P-C4' energy: -71.578
flat angles C4'-P-C4' energy: -75.716
flat angles P-C4'-P energy: -58.426
tors. eta vs tors. theta energy: -100.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 153
Temperature: 1.050000
Total energy: -1159.599881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1159.599881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1159.599881 (E_RNA)
where:
Base-Base interactions energy: -792.277
where: short stacking energy: -327.018
Base-Backbone interact. energy: -2.842
local terms energy: -364.480928
where:
bonds (distance) C4'-P energy: -66.625
bonds (distance) P-C4' energy: -67.714
flat angles C4'-P-C4' energy: -80.551
flat angles P-C4'-P energy: -60.627
tors. eta vs tors. theta energy: -88.964
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: 5, replica: 6
=====================================
Write number: 153
Temperature: 1.100000
Total energy: -1077.855295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1077.855295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1077.855295 (E_RNA)
where:
Base-Base interactions energy: -740.418
where: short stacking energy: -312.043
Base-Backbone interact. energy: -1.193
local terms energy: -336.244583
where:
bonds (distance) C4'-P energy: -71.453
bonds (distance) P-C4' energy: -67.417
flat angles C4'-P-C4' energy: -80.779
flat angles P-C4'-P energy: -46.424
tors. eta vs tors. theta energy: -70.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 153
Temperature: 1.150000
Total energy: -972.219054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -972.219054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -972.219054 (E_RNA)
where:
Base-Base interactions energy: -641.814
where: short stacking energy: -269.094
Base-Backbone interact. energy: -0.473
local terms energy: -330.329658
where:
bonds (distance) C4'-P energy: -64.406
bonds (distance) P-C4' energy: -77.748
flat angles C4'-P-C4' energy: -75.541
flat angles P-C4'-P energy: -47.013
tors. eta vs tors. theta energy: -65.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.397 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 153
Temperature: 1.200000
Total energy: -874.744491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -874.744491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -874.744491 (E_RNA)
where:
Base-Base interactions energy: -579.804
where: short stacking energy: -255.697
Base-Backbone interact. energy: 0.821
local terms energy: -295.761558
where:
bonds (distance) C4'-P energy: -69.332
bonds (distance) P-C4' energy: -79.736
flat angles C4'-P-C4' energy: -62.543
flat angles P-C4'-P energy: -30.881
tors. eta vs tors. theta energy: -53.269
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: 10
=====================================
Write number: 153
Temperature: 1.250000
Total energy: -821.496506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -821.496506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -821.496506 (E_RNA)
where:
Base-Base interactions energy: -518.311
where: short stacking energy: -257.455
Base-Backbone interact. energy: -0.166
local terms energy: -303.069187
where:
bonds (distance) C4'-P energy: -60.830
bonds (distance) P-C4' energy: -73.050
flat angles C4'-P-C4' energy: -70.386
flat angles P-C4'-P energy: -42.880
tors. eta vs tors. theta energy: -55.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.049 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 153
Temperature: 1.300000
Total energy: -660.163772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -660.163772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -660.163772 (E_RNA)
where:
Base-Base interactions energy: -416.459
where: short stacking energy: -191.925
Base-Backbone interact. energy: -2.134
local terms energy: -241.570625
where:
bonds (distance) C4'-P energy: -55.724
bonds (distance) P-C4' energy: -71.503
flat angles C4'-P-C4' energy: -63.495
flat angles P-C4'-P energy: -32.956
tors. eta vs tors. theta energy: -17.893
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: 4
=====================================
Write number: 153
Temperature: 1.350000
Total energy: -426.353944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.353944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.353944 (E_RNA)
where:
Base-Base interactions energy: -205.808
where: short stacking energy: -118.094
Base-Backbone interact. energy: 1.127
local terms energy: -221.672863
where:
bonds (distance) C4'-P energy: -67.855
bonds (distance) P-C4' energy: -58.866
flat angles C4'-P-C4' energy: -58.272
flat angles P-C4'-P energy: -30.834
tors. eta vs tors. theta energy: -5.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 154
Temperature: 0.900000
Total energy: -1355.132892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1355.132892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1355.132892 (E_RNA)
where:
Base-Base interactions energy: -926.653
where: short stacking energy: -384.545
Base-Backbone interact. energy: -1.434
local terms energy: -427.046283
where:
bonds (distance) C4'-P energy: -82.590
bonds (distance) P-C4' energy: -84.608
flat angles C4'-P-C4' energy: -83.050
flat angles P-C4'-P energy: -59.999
tors. eta vs tors. theta energy: -116.799
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: 154
Temperature: 0.950000
Total energy: -1347.096619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1347.096619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1347.096619 (E_RNA)
where:
Base-Base interactions energy: -931.889
where: short stacking energy: -400.227
Base-Backbone interact. energy: -0.061
local terms energy: -415.146263
where:
bonds (distance) C4'-P energy: -70.961
bonds (distance) P-C4' energy: -86.138
flat angles C4'-P-C4' energy: -85.014
flat angles P-C4'-P energy: -58.360
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: 3, replica: 8
=====================================
Write number: 154
Temperature: 1.000000
Total energy: -1220.842033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1220.842033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1220.842033 (E_RNA)
where:
Base-Base interactions energy: -832.670
where: short stacking energy: -351.509
Base-Backbone interact. energy: -2.923
local terms energy: -385.249648
where:
bonds (distance) C4'-P energy: -71.256
bonds (distance) P-C4' energy: -71.762
flat angles C4'-P-C4' energy: -74.499
flat angles P-C4'-P energy: -54.800
tors. eta vs tors. theta energy: -112.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 154
Temperature: 1.050000
Total energy: -1208.299753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1208.299753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1208.299753 (E_RNA)
where:
Base-Base interactions energy: -812.429
where: short stacking energy: -364.105
Base-Backbone interact. energy: -3.629
local terms energy: -392.241550
where:
bonds (distance) C4'-P energy: -75.040
bonds (distance) P-C4' energy: -63.561
flat angles C4'-P-C4' energy: -86.812
flat angles P-C4'-P energy: -66.264
tors. eta vs tors. theta energy: -100.565
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: 6
=====================================
Write number: 154
Temperature: 1.100000
Total energy: -1088.044579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1088.044579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1088.044579 (E_RNA)
where:
Base-Base interactions energy: -752.322
where: short stacking energy: -310.689
Base-Backbone interact. energy: -1.233
local terms energy: -334.489389
where:
bonds (distance) C4'-P energy: -59.123
bonds (distance) P-C4' energy: -80.749
flat angles C4'-P-C4' energy: -70.180
flat angles P-C4'-P energy: -53.313
tors. eta vs tors. theta energy: -71.124
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: 1
=====================================
Write number: 154
Temperature: 1.150000
Total energy: -985.316813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -985.316813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -985.316813 (E_RNA)
where:
Base-Base interactions energy: -676.669
where: short stacking energy: -299.017
Base-Backbone interact. energy: -1.443
local terms energy: -307.204300
where:
bonds (distance) C4'-P energy: -53.152
bonds (distance) P-C4' energy: -59.882
flat angles C4'-P-C4' energy: -72.093
flat angles P-C4'-P energy: -50.732
tors. eta vs tors. theta energy: -71.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 154
Temperature: 1.200000
Total energy: -904.025804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -904.025804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -904.025804 (E_RNA)
where:
Base-Base interactions energy: -577.611
where: short stacking energy: -267.726
Base-Backbone interact. energy: 0.029
local terms energy: -326.443396
where:
bonds (distance) C4'-P energy: -62.295
bonds (distance) P-C4' energy: -75.576
flat angles C4'-P-C4' energy: -64.018
flat angles P-C4'-P energy: -53.048
tors. eta vs tors. theta energy: -71.506
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: 10
=====================================
Write number: 154
Temperature: 1.250000
Total energy: -754.452991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -754.452991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -754.452991 (E_RNA)
where:
Base-Base interactions energy: -483.286
where: short stacking energy: -215.681
Base-Backbone interact. energy: -0.061
local terms energy: -271.105336
where:
bonds (distance) C4'-P energy: -51.195
bonds (distance) P-C4' energy: -55.087
flat angles C4'-P-C4' energy: -67.578
flat angles P-C4'-P energy: -37.264
tors. eta vs tors. theta energy: -59.981
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: 9, replica: 9
=====================================
Write number: 154
Temperature: 1.300000
Total energy: -647.893854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -647.893854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -647.893854 (E_RNA)
where:
Base-Base interactions energy: -410.809
where: short stacking energy: -199.876
Base-Backbone interact. energy: 1.524
local terms energy: -238.608276
where:
bonds (distance) C4'-P energy: -53.747
bonds (distance) P-C4' energy: -66.460
flat angles C4'-P-C4' energy: -62.267
flat angles P-C4'-P energy: -25.085
tors. eta vs tors. theta energy: -31.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 154
Temperature: 1.350000
Total energy: -415.190887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.190887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.190887 (E_RNA)
where:
Base-Base interactions energy: -205.691
where: short stacking energy: -122.180
Base-Backbone interact. energy: 1.813
local terms energy: -211.312462
where:
bonds (distance) C4'-P energy: -53.852
bonds (distance) P-C4' energy: -74.356
flat angles C4'-P-C4' energy: -55.989
flat angles P-C4'-P energy: -33.287
tors. eta vs tors. theta energy: 6.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 155
Temperature: 0.900000
Total energy: -1344.651861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1344.651861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1344.651861 (E_RNA)
where:
Base-Base interactions energy: -929.263
where: short stacking energy: -397.298
Base-Backbone interact. energy: 0.394
local terms energy: -415.783472
where:
bonds (distance) C4'-P energy: -74.662
bonds (distance) P-C4' energy: -74.080
flat angles C4'-P-C4' energy: -87.799
flat angles P-C4'-P energy: -63.645
tors. eta vs tors. theta energy: -115.597
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: 155
Temperature: 0.950000
Total energy: -1354.055697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1354.055697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1354.055697 (E_RNA)
where:
Base-Base interactions energy: -932.975
where: short stacking energy: -396.606
Base-Backbone interact. energy: 2.031
local terms energy: -423.112371
where:
bonds (distance) C4'-P energy: -78.794
bonds (distance) P-C4' energy: -77.782
flat angles C4'-P-C4' energy: -90.608
flat angles P-C4'-P energy: -61.244
tors. eta vs tors. theta energy: -114.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 155
Temperature: 1.000000
Total energy: -1249.911676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1249.911676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1249.911676 (E_RNA)
where:
Base-Base interactions energy: -860.826
where: short stacking energy: -365.663
Base-Backbone interact. energy: -1.977
local terms energy: -387.107919
where:
bonds (distance) C4'-P energy: -72.530
bonds (distance) P-C4' energy: -70.012
flat angles C4'-P-C4' energy: -87.106
flat angles P-C4'-P energy: -52.310
tors. eta vs tors. theta energy: -105.150
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: 4, replica: 2
=====================================
Write number: 155
Temperature: 1.050000
Total energy: -1156.275574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1156.275574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1156.275574 (E_RNA)
where:
Base-Base interactions energy: -788.883
where: short stacking energy: -334.900
Base-Backbone interact. energy: -3.318
local terms energy: -364.074611
where:
bonds (distance) C4'-P energy: -68.728
bonds (distance) P-C4' energy: -69.538
flat angles C4'-P-C4' energy: -69.578
flat angles P-C4'-P energy: -56.825
tors. eta vs tors. theta energy: -99.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 155
Temperature: 1.100000
Total energy: -1131.863119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1131.863119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1131.863119 (E_RNA)
where:
Base-Base interactions energy: -812.676
where: short stacking energy: -328.805
Base-Backbone interact. energy: -3.287
local terms energy: -315.900118
where:
bonds (distance) C4'-P energy: -58.882
bonds (distance) P-C4' energy: -65.783
flat angles C4'-P-C4' energy: -75.491
flat angles P-C4'-P energy: -35.206
tors. eta vs tors. theta energy: -80.538
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: 1
=====================================
Write number: 155
Temperature: 1.150000
Total energy: -915.312016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -915.312016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -915.312016 (E_RNA)
where:
Base-Base interactions energy: -612.102
where: short stacking energy: -270.335
Base-Backbone interact. energy: -0.777
local terms energy: -302.433200
where:
bonds (distance) C4'-P energy: -64.364
bonds (distance) P-C4' energy: -60.908
flat angles C4'-P-C4' energy: -76.921
flat angles P-C4'-P energy: -38.813
tors. eta vs tors. theta energy: -61.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 155
Temperature: 1.200000
Total energy: -889.544389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -889.544389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -889.544389 (E_RNA)
where:
Base-Base interactions energy: -596.579
where: short stacking energy: -256.259
Base-Backbone interact. energy: 0.967
local terms energy: -293.931842
where:
bonds (distance) C4'-P energy: -49.477
bonds (distance) P-C4' energy: -63.155
flat angles C4'-P-C4' energy: -74.971
flat angles P-C4'-P energy: -41.916
tors. eta vs tors. theta energy: -64.412
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: 10
=====================================
Write number: 155
Temperature: 1.250000
Total energy: -754.480017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -754.480017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -754.480017 (E_RNA)
where:
Base-Base interactions energy: -450.921
where: short stacking energy: -216.395
Base-Backbone interact. energy: -0.580
local terms energy: -302.978558
where:
bonds (distance) C4'-P energy: -67.027
bonds (distance) P-C4' energy: -76.777
flat angles C4'-P-C4' energy: -64.017
flat angles P-C4'-P energy: -42.164
tors. eta vs tors. theta energy: -52.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 155
Temperature: 1.300000
Total energy: -675.009652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -675.009652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -675.009652 (E_RNA)
where:
Base-Base interactions energy: -412.380
where: short stacking energy: -189.339
Base-Backbone interact. energy: -3.954
local terms energy: -258.675889
where:
bonds (distance) C4'-P energy: -61.364
bonds (distance) P-C4' energy: -68.179
flat angles C4'-P-C4' energy: -47.334
flat angles P-C4'-P energy: -42.185
tors. eta vs tors. theta energy: -39.615
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: 155
Temperature: 1.350000
Total energy: -431.798232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.798232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.798232 (E_RNA)
where:
Base-Base interactions energy: -192.929
where: short stacking energy: -117.297
Base-Backbone interact. energy: -1.381
local terms energy: -237.488365
where:
bonds (distance) C4'-P energy: -69.372
bonds (distance) P-C4' energy: -67.473
flat angles C4'-P-C4' energy: -57.286
flat angles P-C4'-P energy: -31.192
tors. eta vs tors. theta energy: -12.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 156
Temperature: 0.900000
Total energy: -1346.463406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1346.463406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1346.463406 (E_RNA)
where:
Base-Base interactions energy: -923.138
where: short stacking energy: -394.794
Base-Backbone interact. energy: -1.569
local terms energy: -421.755954
where:
bonds (distance) C4'-P energy: -90.518
bonds (distance) P-C4' energy: -70.362
flat angles C4'-P-C4' energy: -83.595
flat angles P-C4'-P energy: -57.476
tors. eta vs tors. theta energy: -119.806
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: 3
=====================================
Write number: 156
Temperature: 0.950000
Total energy: -1352.123399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1352.123399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1352.123399 (E_RNA)
where:
Base-Base interactions energy: -941.545
where: short stacking energy: -394.588
Base-Backbone interact. energy: -2.205
local terms energy: -408.373999
where:
bonds (distance) C4'-P energy: -73.194
bonds (distance) P-C4' energy: -71.312
flat angles C4'-P-C4' energy: -91.592
flat angles P-C4'-P energy: -54.533
tors. eta vs tors. theta energy: -117.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 156
Temperature: 1.000000
Total energy: -1235.013008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1235.013008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1235.013008 (E_RNA)
where:
Base-Base interactions energy: -842.518
where: short stacking energy: -371.037
Base-Backbone interact. energy: -3.420
local terms energy: -389.810637
where:
bonds (distance) C4'-P energy: -77.056
bonds (distance) P-C4' energy: -66.508
flat angles C4'-P-C4' energy: -80.910
flat angles P-C4'-P energy: -54.229
tors. eta vs tors. theta energy: -111.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.736 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 156
Temperature: 1.050000
Total energy: -1167.035365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1167.035365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1167.035365 (E_RNA)
where:
Base-Base interactions energy: -799.114
where: short stacking energy: -321.417
Base-Backbone interact. energy: -2.614
local terms energy: -365.306643
where:
bonds (distance) C4'-P energy: -69.198
bonds (distance) P-C4' energy: -79.944
flat angles C4'-P-C4' energy: -87.187
flat angles P-C4'-P energy: -43.181
tors. eta vs tors. theta energy: -85.796
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: 5, replica: 6
=====================================
Write number: 156
Temperature: 1.100000
Total energy: -1154.438491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1154.438491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1154.438491 (E_RNA)
where:
Base-Base interactions energy: -806.690
where: short stacking energy: -337.015
Base-Backbone interact. energy: -3.230
local terms energy: -344.518001
where:
bonds (distance) C4'-P energy: -69.975
bonds (distance) P-C4' energy: -75.159
flat angles C4'-P-C4' energy: -72.515
flat angles P-C4'-P energy: -47.269
tors. eta vs tors. theta energy: -79.600
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: 156
Temperature: 1.150000
Total energy: -912.389178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -912.389178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -912.389178 (E_RNA)
where:
Base-Base interactions energy: -588.170
where: short stacking energy: -265.024
Base-Backbone interact. energy: -0.022
local terms energy: -324.746836
where:
bonds (distance) C4'-P energy: -61.618
bonds (distance) P-C4' energy: -75.033
flat angles C4'-P-C4' energy: -74.723
flat angles P-C4'-P energy: -48.693
tors. eta vs tors. theta energy: -64.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.550 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 156
Temperature: 1.200000
Total energy: -877.744001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -877.744001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -877.744001 (E_RNA)
where:
Base-Base interactions energy: -584.090
where: short stacking energy: -268.094
Base-Backbone interact. energy: -0.939
local terms energy: -292.715049
where:
bonds (distance) C4'-P energy: -67.633
bonds (distance) P-C4' energy: -67.990
flat angles C4'-P-C4' energy: -68.464
flat angles P-C4'-P energy: -39.497
tors. eta vs tors. theta energy: -49.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 156
Temperature: 1.250000
Total energy: -709.115261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -709.115261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -709.115261 (E_RNA)
where:
Base-Base interactions energy: -410.769
where: short stacking energy: -205.541
Base-Backbone interact. energy: 0.380
local terms energy: -298.725879
where:
bonds (distance) C4'-P energy: -69.794
bonds (distance) P-C4' energy: -72.021
flat angles C4'-P-C4' energy: -73.813
flat angles P-C4'-P energy: -41.679
tors. eta vs tors. theta energy: -41.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 156
Temperature: 1.300000
Total energy: -676.362650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -676.362650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -676.362650 (E_RNA)
where:
Base-Base interactions energy: -398.367
where: short stacking energy: -203.289
Base-Backbone interact. energy: -1.311
local terms energy: -276.684772
where:
bonds (distance) C4'-P energy: -66.007
bonds (distance) P-C4' energy: -73.723
flat angles C4'-P-C4' energy: -58.285
flat angles P-C4'-P energy: -32.668
tors. eta vs tors. theta energy: -46.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 156
Temperature: 1.350000
Total energy: -428.191043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.191043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.191043 (E_RNA)
where:
Base-Base interactions energy: -208.162
where: short stacking energy: -116.887
Base-Backbone interact. energy: 2.106
local terms energy: -222.135397
where:
bonds (distance) C4'-P energy: -55.403
bonds (distance) P-C4' energy: -74.584
flat angles C4'-P-C4' energy: -61.265
flat angles P-C4'-P energy: -27.746
tors. eta vs tors. theta energy: -3.136
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: 5
=====================================
Write number: 157
Temperature: 0.900000
Total energy: -1360.023895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1360.023895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1360.023895 (E_RNA)
where:
Base-Base interactions energy: -940.528
where: short stacking energy: -406.192
Base-Backbone interact. energy: -0.982
local terms energy: -418.514332
where:
bonds (distance) C4'-P energy: -78.103
bonds (distance) P-C4' energy: -72.712
flat angles C4'-P-C4' energy: -90.022
flat angles P-C4'-P energy: -56.257
tors. eta vs tors. theta energy: -121.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 157
Temperature: 0.950000
Total energy: -1319.519067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1319.519067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1319.519067 (E_RNA)
where:
Base-Base interactions energy: -912.508
where: short stacking energy: -379.911
Base-Backbone interact. energy: -0.240
local terms energy: -406.771174
where:
bonds (distance) C4'-P energy: -71.143
bonds (distance) P-C4' energy: -80.264
flat angles C4'-P-C4' energy: -83.658
flat angles P-C4'-P energy: -60.247
tors. eta vs tors. theta energy: -111.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 157
Temperature: 1.000000
Total energy: -1247.654256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1247.654256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1247.654256 (E_RNA)
where:
Base-Base interactions energy: -861.380
where: short stacking energy: -369.095
Base-Backbone interact. energy: -1.882
local terms energy: -384.392223
where:
bonds (distance) C4'-P energy: -76.772
bonds (distance) P-C4' energy: -54.570
flat angles C4'-P-C4' energy: -84.366
flat angles P-C4'-P energy: -62.245
tors. eta vs tors. theta energy: -106.440
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: 2
=====================================
Write number: 157
Temperature: 1.050000
Total energy: -1147.002607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1147.002607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1147.002607 (E_RNA)
where:
Base-Base interactions energy: -791.678
where: short stacking energy: -334.095
Base-Backbone interact. energy: -4.314
local terms energy: -351.010482
where:
bonds (distance) C4'-P energy: -67.889
bonds (distance) P-C4' energy: -73.876
flat angles C4'-P-C4' energy: -75.763
flat angles P-C4'-P energy: -45.756
tors. eta vs tors. theta energy: -87.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 157
Temperature: 1.100000
Total energy: -1146.596293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1146.596293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1146.596293 (E_RNA)
where:
Base-Base interactions energy: -789.516
where: short stacking energy: -329.287
Base-Backbone interact. energy: -3.136
local terms energy: -353.943999
where:
bonds (distance) C4'-P energy: -67.810
bonds (distance) P-C4' energy: -72.753
flat angles C4'-P-C4' energy: -76.038
flat angles P-C4'-P energy: -55.201
tors. eta vs tors. theta energy: -82.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 157
Temperature: 1.150000
Total energy: -912.719642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -912.719642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -912.719642 (E_RNA)
where:
Base-Base interactions energy: -591.777
where: short stacking energy: -266.400
Base-Backbone interact. energy: 0.460
local terms energy: -321.403067
where:
bonds (distance) C4'-P energy: -59.112
bonds (distance) P-C4' energy: -80.814
flat angles C4'-P-C4' energy: -67.196
flat angles P-C4'-P energy: -51.748
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: 7
=====================================
Write number: 157
Temperature: 1.200000
Total energy: -851.203708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -851.203708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -851.203708 (E_RNA)
where:
Base-Base interactions energy: -568.859
where: short stacking energy: -245.478
Base-Backbone interact. energy: 3.394
local terms energy: -285.739219
where:
bonds (distance) C4'-P energy: -63.602
bonds (distance) P-C4' energy: -58.466
flat angles C4'-P-C4' energy: -66.268
flat angles P-C4'-P energy: -37.617
tors. eta vs tors. theta energy: -59.786
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: 157
Temperature: 1.250000
Total energy: -741.208928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -741.208928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -741.208928 (E_RNA)
where:
Base-Base interactions energy: -475.729
where: short stacking energy: -237.388
Base-Backbone interact. energy: -1.412
local terms energy: -264.067003
where:
bonds (distance) C4'-P energy: -55.354
bonds (distance) P-C4' energy: -66.785
flat angles C4'-P-C4' energy: -69.106
flat angles P-C4'-P energy: -25.457
tors. eta vs tors. theta energy: -47.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 157
Temperature: 1.300000
Total energy: -738.047934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -738.047934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -738.047934 (E_RNA)
where:
Base-Base interactions energy: -481.593
where: short stacking energy: -211.769
Base-Backbone interact. energy: 3.703
local terms energy: -260.158167
where:
bonds (distance) C4'-P energy: -57.753
bonds (distance) P-C4' energy: -64.489
flat angles C4'-P-C4' energy: -62.008
flat angles P-C4'-P energy: -45.426
tors. eta vs tors. theta energy: -30.482
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: 4
=====================================
Write number: 157
Temperature: 1.350000
Total energy: -485.899357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.899357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.899357 (E_RNA)
where:
Base-Base interactions energy: -253.830
where: short stacking energy: -156.577
Base-Backbone interact. energy: -1.251
local terms energy: -230.818829
where:
bonds (distance) C4'-P energy: -64.886
bonds (distance) P-C4' energy: -61.300
flat angles C4'-P-C4' energy: -66.083
flat angles P-C4'-P energy: -22.416
tors. eta vs tors. theta energy: -16.134
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: 1, replica: 5
=====================================
Write number: 158
Temperature: 0.900000
Total energy: -1351.231258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1351.231258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1351.231258 (E_RNA)
where:
Base-Base interactions energy: -948.765
where: short stacking energy: -402.185
Base-Backbone interact. energy: -1.144
local terms energy: -401.321981
where:
bonds (distance) C4'-P energy: -66.623
bonds (distance) P-C4' energy: -77.620
flat angles C4'-P-C4' energy: -82.801
flat angles P-C4'-P energy: -57.107
tors. eta vs tors. theta energy: -117.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 158
Temperature: 0.950000
Total energy: -1313.171485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1313.171485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1313.171485 (E_RNA)
where:
Base-Base interactions energy: -911.739
where: short stacking energy: -379.376
Base-Backbone interact. energy: -2.162
local terms energy: -400.056144
where:
bonds (distance) C4'-P energy: -72.503
bonds (distance) P-C4' energy: -72.345
flat angles C4'-P-C4' energy: -87.943
flat angles P-C4'-P energy: -52.282
tors. eta vs tors. theta energy: -114.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.785 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 158
Temperature: 1.000000
Total energy: -1254.101294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1254.101294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1254.101294 (E_RNA)
where:
Base-Base interactions energy: -860.865
where: short stacking energy: -350.309
Base-Backbone interact. energy: -2.952
local terms energy: -390.285003
where:
bonds (distance) C4'-P energy: -75.897
bonds (distance) P-C4' energy: -72.010
flat angles C4'-P-C4' energy: -84.982
flat angles P-C4'-P energy: -49.853
tors. eta vs tors. theta energy: -107.543
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: 2
=====================================
Write number: 158
Temperature: 1.050000
Total energy: -1156.636622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1156.636622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1156.636622 (E_RNA)
where:
Base-Base interactions energy: -796.779
where: short stacking energy: -356.248
Base-Backbone interact. energy: -4.012
local terms energy: -355.845807
where:
bonds (distance) C4'-P energy: -74.241
bonds (distance) P-C4' energy: -73.082
flat angles C4'-P-C4' energy: -75.240
flat angles P-C4'-P energy: -50.148
tors. eta vs tors. theta energy: -83.135
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: 6
=====================================
Write number: 158
Temperature: 1.100000
Total energy: -1118.161062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1118.161062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1118.161062 (E_RNA)
where:
Base-Base interactions energy: -795.814
where: short stacking energy: -306.788
Base-Backbone interact. energy: -2.261
local terms energy: -320.086353
where:
bonds (distance) C4'-P energy: -56.047
bonds (distance) P-C4' energy: -76.845
flat angles C4'-P-C4' energy: -71.039
flat angles P-C4'-P energy: -45.759
tors. eta vs tors. theta energy: -70.396
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: 6, replica: 1
=====================================
Write number: 158
Temperature: 1.150000
Total energy: -917.233374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -917.233374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -917.233374 (E_RNA)
where:
Base-Base interactions energy: -618.230
where: short stacking energy: -292.386
Base-Backbone interact. energy: -3.680
local terms energy: -295.428894
where:
bonds (distance) C4'-P energy: -62.341
bonds (distance) P-C4' energy: -65.237
flat angles C4'-P-C4' energy: -65.683
flat angles P-C4'-P energy: -38.530
tors. eta vs tors. theta energy: -63.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.105 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 158
Temperature: 1.200000
Total energy: -904.761572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -904.761572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -904.761572 (E_RNA)
where:
Base-Base interactions energy: -600.285
where: short stacking energy: -267.288
Base-Backbone interact. energy: -0.106
local terms energy: -304.370300
where:
bonds (distance) C4'-P energy: -53.709
bonds (distance) P-C4' energy: -64.203
flat angles C4'-P-C4' energy: -77.512
flat angles P-C4'-P energy: -45.385
tors. eta vs tors. theta energy: -63.560
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: 8, replica: 10
=====================================
Write number: 158
Temperature: 1.250000
Total energy: -764.406067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -764.406067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -764.406067 (E_RNA)
where:
Base-Base interactions energy: -488.439
where: short stacking energy: -228.078
Base-Backbone interact. energy: -1.689
local terms energy: -274.278297
where:
bonds (distance) C4'-P energy: -50.778
bonds (distance) P-C4' energy: -66.738
flat angles C4'-P-C4' energy: -62.945
flat angles P-C4'-P energy: -37.658
tors. eta vs tors. theta energy: -56.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 158
Temperature: 1.300000
Total energy: -757.494603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -757.494603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -757.494603 (E_RNA)
where:
Base-Base interactions energy: -480.673
where: short stacking energy: -199.348
Base-Backbone interact. energy: 1.360
local terms energy: -278.181481
where:
bonds (distance) C4'-P energy: -54.039
bonds (distance) P-C4' energy: -72.371
flat angles C4'-P-C4' energy: -67.837
flat angles P-C4'-P energy: -53.647
tors. eta vs tors. theta energy: -30.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 158
Temperature: 1.350000
Total energy: -421.989952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.989952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.989952 (E_RNA)
where:
Base-Base interactions energy: -231.209
where: short stacking energy: -151.600
Base-Backbone interact. energy: -0.797
local terms energy: -189.983466
where:
bonds (distance) C4'-P energy: -60.231
bonds (distance) P-C4' energy: -48.153
flat angles C4'-P-C4' energy: -40.641
flat angles P-C4'-P energy: -35.929
tors. eta vs tors. theta energy: -5.030
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: 1, replica: 5
=====================================
Write number: 159
Temperature: 0.900000
Total energy: -1358.539213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1358.539213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1358.539213 (E_RNA)
where:
Base-Base interactions energy: -941.617
where: short stacking energy: -396.341
Base-Backbone interact. energy: -2.548
local terms energy: -414.374307
where:
bonds (distance) C4'-P energy: -76.897
bonds (distance) P-C4' energy: -71.770
flat angles C4'-P-C4' energy: -89.842
flat angles P-C4'-P energy: -53.551
tors. eta vs tors. theta energy: -122.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 159
Temperature: 0.950000
Total energy: -1262.730957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1262.730957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1262.730957 (E_RNA)
where:
Base-Base interactions energy: -866.028
where: short stacking energy: -370.204
Base-Backbone interact. energy: -1.064
local terms energy: -395.639693
where:
bonds (distance) C4'-P energy: -81.458
bonds (distance) P-C4' energy: -76.145
flat angles C4'-P-C4' energy: -81.094
flat angles P-C4'-P energy: -55.231
tors. eta vs tors. theta energy: -101.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 159
Temperature: 1.000000
Total energy: -1291.375201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1291.375201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1291.375201 (E_RNA)
where:
Base-Base interactions energy: -903.017
where: short stacking energy: -378.985
Base-Backbone interact. energy: -3.422
local terms energy: -385.117144
where:
bonds (distance) C4'-P energy: -70.319
bonds (distance) P-C4' energy: -71.025
flat angles C4'-P-C4' energy: -80.604
flat angles P-C4'-P energy: -52.624
tors. eta vs tors. theta energy: -110.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.180 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 159
Temperature: 1.050000
Total energy: -1151.493008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1151.493008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1151.493008 (E_RNA)
where:
Base-Base interactions energy: -786.343
where: short stacking energy: -326.824
Base-Backbone interact. energy: -1.494
local terms energy: -363.655632
where:
bonds (distance) C4'-P energy: -70.503
bonds (distance) P-C4' energy: -75.091
flat angles C4'-P-C4' energy: -71.344
flat angles P-C4'-P energy: -61.183
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: 2
=====================================
Write number: 159
Temperature: 1.100000
Total energy: -1124.739315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1124.739315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1124.739315 (E_RNA)
where:
Base-Base interactions energy: -775.204
where: short stacking energy: -311.662
Base-Backbone interact. energy: 0.726
local terms energy: -350.261227
where:
bonds (distance) C4'-P energy: -64.278
bonds (distance) P-C4' energy: -70.295
flat angles C4'-P-C4' energy: -77.397
flat angles P-C4'-P energy: -49.888
tors. eta vs tors. theta energy: -88.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 159
Temperature: 1.150000
Total energy: -922.289412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -922.289412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -922.289412 (E_RNA)
where:
Base-Base interactions energy: -595.544
where: short stacking energy: -277.618
Base-Backbone interact. energy: -0.559
local terms energy: -326.185914
where:
bonds (distance) C4'-P energy: -72.986
bonds (distance) P-C4' energy: -68.009
flat angles C4'-P-C4' energy: -68.235
flat angles P-C4'-P energy: -44.900
tors. eta vs tors. theta energy: -72.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 159
Temperature: 1.200000
Total energy: -895.452782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -895.452782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -895.452782 (E_RNA)
where:
Base-Base interactions energy: -587.380
where: short stacking energy: -267.963
Base-Backbone interact. energy: -1.962
local terms energy: -306.110726
where:
bonds (distance) C4'-P energy: -70.000
bonds (distance) P-C4' energy: -57.521
flat angles C4'-P-C4' energy: -68.333
flat angles P-C4'-P energy: -44.051
tors. eta vs tors. theta energy: -66.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 159
Temperature: 1.250000
Total energy: -801.741031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -801.741031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -801.741031 (E_RNA)
where:
Base-Base interactions energy: -502.280
where: short stacking energy: -223.782
Base-Backbone interact. energy: -0.779
local terms energy: -298.681859
where:
bonds (distance) C4'-P energy: -54.749
bonds (distance) P-C4' energy: -77.997
flat angles C4'-P-C4' energy: -68.395
flat angles P-C4'-P energy: -46.057
tors. eta vs tors. theta energy: -51.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 159
Temperature: 1.300000
Total energy: -706.447939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -706.447939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -706.447939 (E_RNA)
where:
Base-Base interactions energy: -445.001
where: short stacking energy: -209.588
Base-Backbone interact. energy: -0.407
local terms energy: -261.040017
where:
bonds (distance) C4'-P energy: -61.022
bonds (distance) P-C4' energy: -64.173
flat angles C4'-P-C4' energy: -61.149
flat angles P-C4'-P energy: -36.943
tors. eta vs tors. theta energy: -37.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 159
Temperature: 1.350000
Total energy: -434.796759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.796759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.796759 (E_RNA)
where:
Base-Base interactions energy: -224.434
where: short stacking energy: -136.446
Base-Backbone interact. energy: 1.276
local terms energy: -211.638859
where:
bonds (distance) C4'-P energy: -55.923
bonds (distance) P-C4' energy: -55.989
flat angles C4'-P-C4' energy: -67.809
flat angles P-C4'-P energy: -33.879
tors. eta vs tors. theta energy: 1.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 160
Temperature: 0.900000
Total energy: -1357.490947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1357.490947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1357.490947 (E_RNA)
where:
Base-Base interactions energy: -946.976
where: short stacking energy: -397.460
Base-Backbone interact. energy: -1.943
local terms energy: -408.572532
where:
bonds (distance) C4'-P energy: -71.128
bonds (distance) P-C4' energy: -76.137
flat angles C4'-P-C4' energy: -83.625
flat angles P-C4'-P energy: -59.727
tors. eta vs tors. theta energy: -117.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 160
Temperature: 0.950000
Total energy: -1256.015036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1256.015036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1256.015036 (E_RNA)
where:
Base-Base interactions energy: -863.788
where: short stacking energy: -364.478
Base-Backbone interact. energy: -1.826
local terms energy: -390.400152
where:
bonds (distance) C4'-P energy: -75.080
bonds (distance) P-C4' energy: -77.467
flat angles C4'-P-C4' energy: -86.275
flat angles P-C4'-P energy: -47.925
tors. eta vs tors. theta energy: -103.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 160
Temperature: 1.000000
Total energy: -1295.061843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1295.061843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1295.061843 (E_RNA)
where:
Base-Base interactions energy: -895.910
where: short stacking energy: -383.259
Base-Backbone interact. energy: -2.719
local terms energy: -396.433658
where:
bonds (distance) C4'-P energy: -75.442
bonds (distance) P-C4' energy: -70.312
flat angles C4'-P-C4' energy: -79.487
flat angles P-C4'-P energy: -54.813
tors. eta vs tors. theta energy: -116.380
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: 6
=====================================
Write number: 160
Temperature: 1.050000
Total energy: -1170.775598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1170.775598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1170.775598 (E_RNA)
where:
Base-Base interactions energy: -809.981
where: short stacking energy: -336.590
Base-Backbone interact. energy: 0.047
local terms energy: -360.841539
where:
bonds (distance) C4'-P energy: -74.424
bonds (distance) P-C4' energy: -78.461
flat angles C4'-P-C4' energy: -74.939
flat angles P-C4'-P energy: -44.921
tors. eta vs tors. theta energy: -88.097
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: 5, replica: 2
=====================================
Write number: 160
Temperature: 1.100000
Total energy: -1114.703799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1114.703799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1114.703799 (E_RNA)
where:
Base-Base interactions energy: -756.932
where: short stacking energy: -300.972
Base-Backbone interact. energy: -0.760
local terms energy: -357.011754
where:
bonds (distance) C4'-P energy: -76.554
bonds (distance) P-C4' energy: -75.566
flat angles C4'-P-C4' energy: -74.337
flat angles P-C4'-P energy: -58.988
tors. eta vs tors. theta energy: -71.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 160
Temperature: 1.150000
Total energy: -962.382468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -962.382468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -962.382468 (E_RNA)
where:
Base-Base interactions energy: -640.867
where: short stacking energy: -305.237
Base-Backbone interact. energy: -0.625
local terms energy: -320.891027
where:
bonds (distance) C4'-P energy: -60.086
bonds (distance) P-C4' energy: -57.531
flat angles C4'-P-C4' energy: -66.433
flat angles P-C4'-P energy: -54.328
tors. eta vs tors. theta energy: -82.514
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: 1
=====================================
Write number: 160
Temperature: 1.200000
Total energy: -885.117579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -885.117579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -885.117579 (E_RNA)
where:
Base-Base interactions energy: -573.250
where: short stacking energy: -258.770
Base-Backbone interact. energy: -0.670
local terms energy: -311.198095
where:
bonds (distance) C4'-P energy: -50.736
bonds (distance) P-C4' energy: -63.427
flat angles C4'-P-C4' energy: -74.783
flat angles P-C4'-P energy: -55.347
tors. eta vs tors. theta energy: -66.906
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: 9
=====================================
Write number: 160
Temperature: 1.250000
Total energy: -808.253381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -808.253381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -808.253381 (E_RNA)
where:
Base-Base interactions energy: -510.676
where: short stacking energy: -221.825
Base-Backbone interact. energy: -3.547
local terms energy: -294.030130
where:
bonds (distance) C4'-P energy: -54.292
bonds (distance) P-C4' energy: -69.135
flat angles C4'-P-C4' energy: -62.637
flat angles P-C4'-P energy: -49.851
tors. eta vs tors. theta energy: -58.115
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: 10
=====================================
Write number: 160
Temperature: 1.300000
Total energy: -697.186197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -697.186197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -697.186197 (E_RNA)
where:
Base-Base interactions energy: -419.683
where: short stacking energy: -215.637
Base-Backbone interact. energy: 0.676
local terms energy: -278.178885
where:
bonds (distance) C4'-P energy: -44.202
bonds (distance) P-C4' energy: -76.952
flat angles C4'-P-C4' energy: -75.725
flat angles P-C4'-P energy: -39.173
tors. eta vs tors. theta energy: -42.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 160
Temperature: 1.350000
Total energy: -467.778628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.778628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.778628 (E_RNA)
where:
Base-Base interactions energy: -248.604
where: short stacking energy: -138.764
Base-Backbone interact. energy: 7.285
local terms energy: -226.460119
where:
bonds (distance) C4'-P energy: -46.194
bonds (distance) P-C4' energy: -68.064
flat angles C4'-P-C4' energy: -67.879
flat angles P-C4'-P energy: -28.904
tors. eta vs tors. theta energy: -15.419
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: 5
=====================================
Write number: 161
Temperature: 0.900000
Total energy: -1347.244362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1347.244362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1347.244362 (E_RNA)
where:
Base-Base interactions energy: -931.056
where: short stacking energy: -408.203
Base-Backbone interact. energy: -0.414
local terms energy: -415.774315
where:
bonds (distance) C4'-P energy: -69.125
bonds (distance) P-C4' energy: -77.702
flat angles C4'-P-C4' energy: -81.059
flat angles P-C4'-P energy: -63.467
tors. eta vs tors. theta energy: -124.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 161
Temperature: 0.950000
Total energy: -1357.717775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1357.717775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1357.717775 (E_RNA)
where:
Base-Base interactions energy: -945.297
where: short stacking energy: -392.199
Base-Backbone interact. energy: -2.637
local terms energy: -409.783986
where:
bonds (distance) C4'-P energy: -67.594
bonds (distance) P-C4' energy: -78.187
flat angles C4'-P-C4' energy: -84.656
flat angles P-C4'-P energy: -62.604
tors. eta vs tors. theta energy: -116.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 161
Temperature: 1.000000
Total energy: -1256.914825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1256.914825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1256.914825 (E_RNA)
where:
Base-Base interactions energy: -849.642
where: short stacking energy: -363.765
Base-Backbone interact. energy: -1.774
local terms energy: -405.498194
where:
bonds (distance) C4'-P energy: -69.433
bonds (distance) P-C4' energy: -83.350
flat angles C4'-P-C4' energy: -89.156
flat angles P-C4'-P energy: -56.630
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: 6
=====================================
Write number: 161
Temperature: 1.050000
Total energy: -1155.781476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1155.781476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1155.781476 (E_RNA)
where:
Base-Base interactions energy: -820.976
where: short stacking energy: -316.714
Base-Backbone interact. energy: -1.455
local terms energy: -333.350287
where:
bonds (distance) C4'-P energy: -61.451
bonds (distance) P-C4' energy: -72.361
flat angles C4'-P-C4' energy: -72.017
flat angles P-C4'-P energy: -47.351
tors. eta vs tors. theta energy: -80.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 161
Temperature: 1.100000
Total energy: -1087.143985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1087.143985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1087.143985 (E_RNA)
where:
Base-Base interactions energy: -749.462
where: short stacking energy: -303.381
Base-Backbone interact. energy: 0.637
local terms energy: -338.319072
where:
bonds (distance) C4'-P energy: -74.989
bonds (distance) P-C4' energy: -68.408
flat angles C4'-P-C4' energy: -73.609
flat angles P-C4'-P energy: -43.208
tors. eta vs tors. theta energy: -78.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 161
Temperature: 1.150000
Total energy: -901.545328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -901.545328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -901.545328 (E_RNA)
where:
Base-Base interactions energy: -568.270
where: short stacking energy: -252.515
Base-Backbone interact. energy: -2.738
local terms energy: -330.537373
where:
bonds (distance) C4'-P energy: -73.657
bonds (distance) P-C4' energy: -58.890
flat angles C4'-P-C4' energy: -79.396
flat angles P-C4'-P energy: -52.279
tors. eta vs tors. theta energy: -66.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 161
Temperature: 1.200000
Total energy: -849.042798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -849.042798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -849.042798 (E_RNA)
where:
Base-Base interactions energy: -552.761
where: short stacking energy: -240.613
Base-Backbone interact. energy: -1.258
local terms energy: -295.024232
where:
bonds (distance) C4'-P energy: -57.690
bonds (distance) P-C4' energy: -66.999
flat angles C4'-P-C4' energy: -68.064
flat angles P-C4'-P energy: -44.928
tors. eta vs tors. theta energy: -57.343
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: 10
=====================================
Write number: 161
Temperature: 1.250000
Total energy: -709.801831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -709.801831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -709.801831 (E_RNA)
where:
Base-Base interactions energy: -422.012
where: short stacking energy: -214.941
Base-Backbone interact. energy: 1.194
local terms energy: -288.983790
where:
bonds (distance) C4'-P energy: -68.239
bonds (distance) P-C4' energy: -65.626
flat angles C4'-P-C4' energy: -69.687
flat angles P-C4'-P energy: -41.435
tors. eta vs tors. theta energy: -43.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 161
Temperature: 1.300000
Total energy: -759.289559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -759.289559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -759.289559 (E_RNA)
where:
Base-Base interactions energy: -498.212
where: short stacking energy: -219.194
Base-Backbone interact. energy: -1.794
local terms energy: -259.283496
where:
bonds (distance) C4'-P energy: -48.397
bonds (distance) P-C4' energy: -69.345
flat angles C4'-P-C4' energy: -56.931
flat angles P-C4'-P energy: -47.354
tors. eta vs tors. theta energy: -37.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 161
Temperature: 1.350000
Total energy: -455.490813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.490813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.490813 (E_RNA)
where:
Base-Base interactions energy: -235.391
where: short stacking energy: -139.712
Base-Backbone interact. energy: 1.420
local terms energy: -221.519927
where:
bonds (distance) C4'-P energy: -56.534
bonds (distance) P-C4' energy: -63.025
flat angles C4'-P-C4' energy: -54.363
flat angles P-C4'-P energy: -35.345
tors. eta vs tors. theta energy: -12.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 162
Temperature: 0.900000
Total energy: -1378.524099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1378.524099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1378.524099 (E_RNA)
where:
Base-Base interactions energy: -976.136
where: short stacking energy: -408.011
Base-Backbone interact. energy: 0.964
local terms energy: -403.351256
where:
bonds (distance) C4'-P energy: -64.532
bonds (distance) P-C4' energy: -78.561
flat angles C4'-P-C4' energy: -84.469
flat angles P-C4'-P energy: -59.927
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: 162
Temperature: 0.950000
Total energy: -1338.204672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1338.204672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1338.204672 (E_RNA)
where:
Base-Base interactions energy: -941.922
where: short stacking energy: -406.446
Base-Backbone interact. energy: -1.441
local terms energy: -394.842148
where:
bonds (distance) C4'-P energy: -74.673
bonds (distance) P-C4' energy: -69.643
flat angles C4'-P-C4' energy: -81.842
flat angles P-C4'-P energy: -46.359
tors. eta vs tors. theta energy: -122.325
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: 8
=====================================
Write number: 162
Temperature: 1.000000
Total energy: -1226.900474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1226.900474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1226.900474 (E_RNA)
where:
Base-Base interactions energy: -856.917
where: short stacking energy: -375.040
Base-Backbone interact. energy: 1.093
local terms energy: -371.076306
where:
bonds (distance) C4'-P energy: -63.769
bonds (distance) P-C4' energy: -64.882
flat angles C4'-P-C4' energy: -81.330
flat angles P-C4'-P energy: -51.000
tors. eta vs tors. theta energy: -110.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 162
Temperature: 1.050000
Total energy: -1150.184132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1150.184132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1150.184132 (E_RNA)
where:
Base-Base interactions energy: -815.646
where: short stacking energy: -335.661
Base-Backbone interact. energy: -1.091
local terms energy: -333.447488
where:
bonds (distance) C4'-P energy: -64.099
bonds (distance) P-C4' energy: -69.029
flat angles C4'-P-C4' energy: -75.176
flat angles P-C4'-P energy: -45.692
tors. eta vs tors. theta energy: -79.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 162
Temperature: 1.100000
Total energy: -1055.136168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1055.136168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1055.136168 (E_RNA)
where:
Base-Base interactions energy: -708.105
where: short stacking energy: -304.964
Base-Backbone interact. energy: -1.450
local terms energy: -345.581596
where:
bonds (distance) C4'-P energy: -69.321
bonds (distance) P-C4' energy: -55.189
flat angles C4'-P-C4' energy: -80.645
flat angles P-C4'-P energy: -61.013
tors. eta vs tors. theta energy: -79.413
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: 162
Temperature: 1.150000
Total energy: -914.097854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -914.097854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -914.097854 (E_RNA)
where:
Base-Base interactions energy: -618.871
where: short stacking energy: -296.588
Base-Backbone interact. energy: -1.476
local terms energy: -293.751169
where:
bonds (distance) C4'-P energy: -66.783
bonds (distance) P-C4' energy: -56.130
flat angles C4'-P-C4' energy: -65.271
flat angles P-C4'-P energy: -45.363
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: 7, replica: 7
=====================================
Write number: 162
Temperature: 1.200000
Total energy: -834.192074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -834.192074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -834.192074 (E_RNA)
where:
Base-Base interactions energy: -524.891
where: short stacking energy: -243.927
Base-Backbone interact. energy: -1.598
local terms energy: -307.703544
where:
bonds (distance) C4'-P energy: -68.969
bonds (distance) P-C4' energy: -64.110
flat angles C4'-P-C4' energy: -72.855
flat angles P-C4'-P energy: -45.251
tors. eta vs tors. theta energy: -56.519
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: 162
Temperature: 1.250000
Total energy: -755.349546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -755.349546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -755.349546 (E_RNA)
where:
Base-Base interactions energy: -477.889
where: short stacking energy: -217.875
Base-Backbone interact. energy: -1.576
local terms energy: -275.884399
where:
bonds (distance) C4'-P energy: -57.015
bonds (distance) P-C4' energy: -59.203
flat angles C4'-P-C4' energy: -75.589
flat angles P-C4'-P energy: -41.873
tors. eta vs tors. theta energy: -42.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 162
Temperature: 1.300000
Total energy: -781.834805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -781.834805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -781.834805 (E_RNA)
where:
Base-Base interactions energy: -538.306
where: short stacking energy: -237.175
Base-Backbone interact. energy: -1.454
local terms energy: -242.074195
where:
bonds (distance) C4'-P energy: -54.423
bonds (distance) P-C4' energy: -57.710
flat angles C4'-P-C4' energy: -67.976
flat angles P-C4'-P energy: -17.873
tors. eta vs tors. theta energy: -44.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 162
Temperature: 1.350000
Total energy: -444.865718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.865718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.865718 (E_RNA)
where:
Base-Base interactions energy: -219.821
where: short stacking energy: -136.283
Base-Backbone interact. energy: -0.882
local terms energy: -224.162422
where:
bonds (distance) C4'-P energy: -63.049
bonds (distance) P-C4' energy: -60.417
flat angles C4'-P-C4' energy: -47.430
flat angles P-C4'-P energy: -43.865
tors. eta vs tors. theta energy: -9.402
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: 1, replica: 3
=====================================
Write number: 163
Temperature: 0.900000
Total energy: -1392.499463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1392.499463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1392.499463 (E_RNA)
where:
Base-Base interactions energy: -961.965
where: short stacking energy: -420.429
Base-Backbone interact. energy: -2.892
local terms energy: -428.158921
where:
bonds (distance) C4'-P energy: -76.539
bonds (distance) P-C4' energy: -80.047
flat angles C4'-P-C4' energy: -87.736
flat angles P-C4'-P energy: -60.631
tors. eta vs tors. theta energy: -123.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.516 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 163
Temperature: 0.950000
Total energy: -1331.796564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1331.796564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1331.796564 (E_RNA)
where:
Base-Base interactions energy: -916.874
where: short stacking energy: -404.142
Base-Backbone interact. energy: -0.718
local terms energy: -414.203740
where:
bonds (distance) C4'-P energy: -75.289
bonds (distance) P-C4' energy: -78.196
flat angles C4'-P-C4' energy: -89.262
flat angles P-C4'-P energy: -58.610
tors. eta vs tors. theta energy: -112.847
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: 3, replica: 8
=====================================
Write number: 163
Temperature: 1.000000
Total energy: -1202.727989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1202.727989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1202.727989 (E_RNA)
where:
Base-Base interactions energy: -833.624
where: short stacking energy: -357.844
Base-Backbone interact. energy: -0.799
local terms energy: -368.305603
where:
bonds (distance) C4'-P energy: -86.226
bonds (distance) P-C4' energy: -68.243
flat angles C4'-P-C4' energy: -78.344
flat angles P-C4'-P energy: -40.162
tors. eta vs tors. theta energy: -95.330
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: 6
=====================================
Write number: 163
Temperature: 1.050000
Total energy: -1162.805154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1162.805154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1162.805154 (E_RNA)
where:
Base-Base interactions energy: -814.395
where: short stacking energy: -318.196
Base-Backbone interact. energy: -0.188
local terms energy: -348.222203
where:
bonds (distance) C4'-P energy: -71.181
bonds (distance) P-C4' energy: -62.427
flat angles C4'-P-C4' energy: -79.488
flat angles P-C4'-P energy: -51.756
tors. eta vs tors. theta energy: -83.370
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: 2
=====================================
Write number: 163
Temperature: 1.100000
Total energy: -1049.277457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1049.277457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1049.277457 (E_RNA)
where:
Base-Base interactions energy: -717.824
where: short stacking energy: -306.809
Base-Backbone interact. energy: -3.371
local terms energy: -328.082610
where:
bonds (distance) C4'-P energy: -69.883
bonds (distance) P-C4' energy: -72.276
flat angles C4'-P-C4' energy: -65.796
flat angles P-C4'-P energy: -48.258
tors. eta vs tors. theta energy: -71.870
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: 7
=====================================
Write number: 163
Temperature: 1.150000
Total energy: -883.488926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -883.488926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -883.488926 (E_RNA)
where:
Base-Base interactions energy: -559.739
where: short stacking energy: -272.939
Base-Backbone interact. energy: -0.893
local terms energy: -322.856964
where:
bonds (distance) C4'-P energy: -71.544
bonds (distance) P-C4' energy: -77.089
flat angles C4'-P-C4' energy: -64.433
flat angles P-C4'-P energy: -43.649
tors. eta vs tors. theta energy: -66.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 163
Temperature: 1.200000
Total energy: -865.391257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -865.391257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -865.391257 (E_RNA)
where:
Base-Base interactions energy: -549.360
where: short stacking energy: -267.444
Base-Backbone interact. energy: -1.694
local terms energy: -314.337070
where:
bonds (distance) C4'-P energy: -54.905
bonds (distance) P-C4' energy: -74.859
flat angles C4'-P-C4' energy: -67.622
flat angles P-C4'-P energy: -49.144
tors. eta vs tors. theta energy: -67.806
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: 9
=====================================
Write number: 163
Temperature: 1.250000
Total energy: -819.210415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -819.210415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -819.210415 (E_RNA)
where:
Base-Base interactions energy: -540.748
where: short stacking energy: -254.200
Base-Backbone interact. energy: -1.434
local terms energy: -277.028601
where:
bonds (distance) C4'-P energy: -64.308
bonds (distance) P-C4' energy: -69.742
flat angles C4'-P-C4' energy: -56.435
flat angles P-C4'-P energy: -34.593
tors. eta vs tors. theta energy: -51.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 163
Temperature: 1.300000
Total energy: -777.215301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -777.215301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -777.215301 (E_RNA)
where:
Base-Base interactions energy: -509.112
where: short stacking energy: -242.822
Base-Backbone interact. energy: -1.737
local terms energy: -266.366584
where:
bonds (distance) C4'-P energy: -62.945
bonds (distance) P-C4' energy: -51.558
flat angles C4'-P-C4' energy: -55.464
flat angles P-C4'-P energy: -38.953
tors. eta vs tors. theta energy: -57.447
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: 4
=====================================
Write number: 163
Temperature: 1.350000
Total energy: -434.258599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.258599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.258599 (E_RNA)
where:
Base-Base interactions energy: -209.507
where: short stacking energy: -128.045
Base-Backbone interact. energy: -1.455
local terms energy: -223.296850
where:
bonds (distance) C4'-P energy: -72.494
bonds (distance) P-C4' energy: -69.371
flat angles C4'-P-C4' energy: -51.632
flat angles P-C4'-P energy: -33.374
tors. eta vs tors. theta energy: 3.575
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: 3
=====================================
Write number: 164
Temperature: 0.900000
Total energy: -1361.080778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1361.080778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1361.080778 (E_RNA)
where:
Base-Base interactions energy: -939.689
where: short stacking energy: -376.792
Base-Backbone interact. energy: -1.782
local terms energy: -420.855343
where:
bonds (distance) C4'-P energy: -77.719
bonds (distance) P-C4' energy: -82.197
flat angles C4'-P-C4' energy: -83.728
flat angles P-C4'-P energy: -56.415
tors. eta vs tors. theta energy: -120.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.246 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 164
Temperature: 0.950000
Total energy: -1308.650753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1308.650753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1308.650753 (E_RNA)
where:
Base-Base interactions energy: -903.030
where: short stacking energy: -394.113
Base-Backbone interact. energy: -1.033
local terms energy: -404.586780
where:
bonds (distance) C4'-P energy: -69.956
bonds (distance) P-C4' energy: -85.936
flat angles C4'-P-C4' energy: -88.458
flat angles P-C4'-P energy: -43.097
tors. eta vs tors. theta energy: -117.139
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: 8
=====================================
Write number: 164
Temperature: 1.000000
Total energy: -1231.677429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1231.677429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1231.677429 (E_RNA)
where:
Base-Base interactions energy: -847.798
where: short stacking energy: -358.239
Base-Backbone interact. energy: -1.682
local terms energy: -382.386166
where:
bonds (distance) C4'-P energy: -79.777
bonds (distance) P-C4' energy: -66.759
flat angles C4'-P-C4' energy: -84.102
flat angles P-C4'-P energy: -55.133
tors. eta vs tors. theta energy: -96.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.188 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 164
Temperature: 1.050000
Total energy: -1192.650854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1192.650854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1192.650854 (E_RNA)
where:
Base-Base interactions energy: -826.863
where: short stacking energy: -332.732
Base-Backbone interact. energy: -1.192
local terms energy: -364.595914
where:
bonds (distance) C4'-P energy: -76.946
bonds (distance) P-C4' energy: -74.945
flat angles C4'-P-C4' energy: -76.058
flat angles P-C4'-P energy: -47.914
tors. eta vs tors. theta energy: -88.732
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: 2
=====================================
Write number: 164
Temperature: 1.100000
Total energy: -1063.635514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1063.635514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1063.635514 (E_RNA)
where:
Base-Base interactions energy: -729.940
where: short stacking energy: -302.846
Base-Backbone interact. energy: -2.706
local terms energy: -330.989422
where:
bonds (distance) C4'-P energy: -61.121
bonds (distance) P-C4' energy: -68.988
flat angles C4'-P-C4' energy: -76.026
flat angles P-C4'-P energy: -51.299
tors. eta vs tors. theta energy: -73.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 164
Temperature: 1.150000
Total energy: -860.151425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -860.151425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -860.151425 (E_RNA)
where:
Base-Base interactions energy: -540.676
where: short stacking energy: -251.942
Base-Backbone interact. energy: 1.474
local terms energy: -320.949484
where:
bonds (distance) C4'-P energy: -56.771
bonds (distance) P-C4' energy: -75.624
flat angles C4'-P-C4' energy: -73.012
flat angles P-C4'-P energy: -52.531
tors. eta vs tors. theta energy: -63.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 164
Temperature: 1.200000
Total energy: -828.734409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -828.734409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -828.734409 (E_RNA)
where:
Base-Base interactions energy: -525.825
where: short stacking energy: -246.054
Base-Backbone interact. energy: 1.303
local terms energy: -304.212759
where:
bonds (distance) C4'-P energy: -71.950
bonds (distance) P-C4' energy: -68.337
flat angles C4'-P-C4' energy: -75.588
flat angles P-C4'-P energy: -34.643
tors. eta vs tors. theta energy: -53.695
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: 8, replica: 1
=====================================
Write number: 164
Temperature: 1.250000
Total energy: -849.862824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -849.862824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -849.862824 (E_RNA)
where:
Base-Base interactions energy: -550.875
where: short stacking energy: -244.052
Base-Backbone interact. energy: 0.289
local terms energy: -299.276833
where:
bonds (distance) C4'-P energy: -69.309
bonds (distance) P-C4' energy: -61.127
flat angles C4'-P-C4' energy: -63.292
flat angles P-C4'-P energy: -43.155
tors. eta vs tors. theta energy: -62.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 164
Temperature: 1.300000
Total energy: -748.497293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -748.497293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -748.497293 (E_RNA)
where:
Base-Base interactions energy: -465.899
where: short stacking energy: -207.729
Base-Backbone interact. energy: 0.233
local terms energy: -283.983065
where:
bonds (distance) C4'-P energy: -65.558
bonds (distance) P-C4' energy: -74.808
flat angles C4'-P-C4' energy: -59.384
flat angles P-C4'-P energy: -43.165
tors. eta vs tors. theta energy: -41.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.152 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 164
Temperature: 1.350000
Total energy: -453.335650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.335650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.335650 (E_RNA)
where:
Base-Base interactions energy: -212.938
where: short stacking energy: -119.287
Base-Backbone interact. energy: -0.786
local terms energy: -239.611546
where:
bonds (distance) C4'-P energy: -59.245
bonds (distance) P-C4' energy: -72.344
flat angles C4'-P-C4' energy: -69.394
flat angles P-C4'-P energy: -37.156
tors. eta vs tors. theta energy: -1.472
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: 3
=====================================
Write number: 165
Temperature: 0.900000
Total energy: -1343.017464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1343.017464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1343.017464 (E_RNA)
where:
Base-Base interactions energy: -930.495
where: short stacking energy: -379.618
Base-Backbone interact. energy: -2.115
local terms energy: -410.407926
where:
bonds (distance) C4'-P energy: -63.140
bonds (distance) P-C4' energy: -78.341
flat angles C4'-P-C4' energy: -89.399
flat angles P-C4'-P energy: -62.805
tors. eta vs tors. theta energy: -116.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 165
Temperature: 0.950000
Total energy: -1327.775290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1327.775290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1327.775290 (E_RNA)
where:
Base-Base interactions energy: -913.006
where: short stacking energy: -375.548
Base-Backbone interact. energy: -2.182
local terms energy: -412.588143
where:
bonds (distance) C4'-P energy: -74.831
bonds (distance) P-C4' energy: -77.467
flat angles C4'-P-C4' energy: -86.271
flat angles P-C4'-P energy: -63.753
tors. eta vs tors. theta energy: -110.266
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: 3, replica: 8
=====================================
Write number: 165
Temperature: 1.000000
Total energy: -1213.132904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1213.132904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1213.132904 (E_RNA)
where:
Base-Base interactions energy: -841.381
where: short stacking energy: -383.856
Base-Backbone interact. energy: -1.300
local terms energy: -370.451997
where:
bonds (distance) C4'-P energy: -72.547
bonds (distance) P-C4' energy: -65.163
flat angles C4'-P-C4' energy: -75.929
flat angles P-C4'-P energy: -54.854
tors. eta vs tors. theta energy: -101.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 165
Temperature: 1.050000
Total energy: -1213.464576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1213.464576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1213.464576 (E_RNA)
where:
Base-Base interactions energy: -831.520
where: short stacking energy: -342.313
Base-Backbone interact. energy: -1.543
local terms energy: -380.401965
where:
bonds (distance) C4'-P energy: -71.822
bonds (distance) P-C4' energy: -84.968
flat angles C4'-P-C4' energy: -78.112
flat angles P-C4'-P energy: -54.134
tors. eta vs tors. theta energy: -91.366
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: 2
=====================================
Write number: 165
Temperature: 1.100000
Total energy: -1069.114974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1069.114974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1069.114974 (E_RNA)
where:
Base-Base interactions energy: -732.087
where: short stacking energy: -304.003
Base-Backbone interact. energy: -2.634
local terms energy: -334.393616
where:
bonds (distance) C4'-P energy: -69.060
bonds (distance) P-C4' energy: -71.877
flat angles C4'-P-C4' energy: -67.426
flat angles P-C4'-P energy: -50.270
tors. eta vs tors. theta energy: -75.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 165
Temperature: 1.150000
Total energy: -912.135484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -912.135484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -912.135484 (E_RNA)
where:
Base-Base interactions energy: -602.074
where: short stacking energy: -250.062
Base-Backbone interact. energy: 2.663
local terms energy: -312.725114
where:
bonds (distance) C4'-P energy: -58.908
bonds (distance) P-C4' energy: -69.695
flat angles C4'-P-C4' energy: -67.274
flat angles P-C4'-P energy: -46.977
tors. eta vs tors. theta energy: -69.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 165
Temperature: 1.200000
Total energy: -862.382313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -862.382313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -862.382313 (E_RNA)
where:
Base-Base interactions energy: -554.873
where: short stacking energy: -276.553
Base-Backbone interact. energy: 0.554
local terms energy: -308.062900
where:
bonds (distance) C4'-P energy: -59.937
bonds (distance) P-C4' energy: -63.651
flat angles C4'-P-C4' energy: -71.995
flat angles P-C4'-P energy: -41.549
tors. eta vs tors. theta energy: -70.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 165
Temperature: 1.250000
Total energy: -829.266831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -829.266831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -829.266831 (E_RNA)
where:
Base-Base interactions energy: -537.214
where: short stacking energy: -243.782
Base-Backbone interact. energy: -1.499
local terms energy: -290.553240
where:
bonds (distance) C4'-P energy: -65.028
bonds (distance) P-C4' energy: -60.453
flat angles C4'-P-C4' energy: -72.838
flat angles P-C4'-P energy: -46.338
tors. eta vs tors. theta energy: -45.896
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: 10
=====================================
Write number: 165
Temperature: 1.300000
Total energy: -744.770786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -744.770786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -744.770786 (E_RNA)
where:
Base-Base interactions energy: -461.835
where: short stacking energy: -226.155
Base-Backbone interact. energy: -1.004
local terms energy: -281.931552
where:
bonds (distance) C4'-P energy: -59.345
bonds (distance) P-C4' energy: -72.777
flat angles C4'-P-C4' energy: -72.736
flat angles P-C4'-P energy: -29.099
tors. eta vs tors. theta energy: -47.974
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: 4
=====================================
Write number: 165
Temperature: 1.350000
Total energy: -449.429308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.429308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.429308 (E_RNA)
where:
Base-Base interactions energy: -207.570
where: short stacking energy: -127.364
Base-Backbone interact. energy: 1.262
local terms energy: -243.122003
where:
bonds (distance) C4'-P energy: -72.510
bonds (distance) P-C4' energy: -77.990
flat angles C4'-P-C4' energy: -58.845
flat angles P-C4'-P energy: -32.244
tors. eta vs tors. theta energy: -1.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 166
Temperature: 0.900000
Total energy: -1371.880517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1371.880517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1371.880517 (E_RNA)
where:
Base-Base interactions energy: -936.920
where: short stacking energy: -430.400
Base-Backbone interact. energy: -4.072
local terms energy: -430.888478
where:
bonds (distance) C4'-P energy: -87.396
bonds (distance) P-C4' energy: -72.827
flat angles C4'-P-C4' energy: -90.448
flat angles P-C4'-P energy: -57.452
tors. eta vs tors. theta energy: -122.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 166
Temperature: 0.950000
Total energy: -1308.214172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1308.214172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1308.214172 (E_RNA)
where:
Base-Base interactions energy: -911.018
where: short stacking energy: -369.482
Base-Backbone interact. energy: 0.307
local terms energy: -397.502748
where:
bonds (distance) C4'-P energy: -76.135
bonds (distance) P-C4' energy: -73.547
flat angles C4'-P-C4' energy: -88.217
flat angles P-C4'-P energy: -59.505
tors. eta vs tors. theta energy: -100.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 166
Temperature: 1.000000
Total energy: -1215.227641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1215.227641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1215.227641 (E_RNA)
where:
Base-Base interactions energy: -834.384
where: short stacking energy: -364.813
Base-Backbone interact. energy: -2.591
local terms energy: -378.252577
where:
bonds (distance) C4'-P energy: -77.131
bonds (distance) P-C4' energy: -70.107
flat angles C4'-P-C4' energy: -87.213
flat angles P-C4'-P energy: -43.162
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: 4, replica: 6
=====================================
Write number: 166
Temperature: 1.050000
Total energy: -1195.012604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1195.012604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1195.012604 (E_RNA)
where:
Base-Base interactions energy: -865.492
where: short stacking energy: -345.365
Base-Backbone interact. energy: -0.748
local terms energy: -328.772594
where:
bonds (distance) C4'-P energy: -52.716
bonds (distance) P-C4' energy: -59.547
flat angles C4'-P-C4' energy: -74.006
flat angles P-C4'-P energy: -50.622
tors. eta vs tors. theta energy: -91.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 166
Temperature: 1.100000
Total energy: -1087.941769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1087.941769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1087.941769 (E_RNA)
where:
Base-Base interactions energy: -742.153
where: short stacking energy: -315.795
Base-Backbone interact. energy: -2.369
local terms energy: -343.420379
where:
bonds (distance) C4'-P energy: -57.699
bonds (distance) P-C4' energy: -76.938
flat angles C4'-P-C4' energy: -77.630
flat angles P-C4'-P energy: -54.732
tors. eta vs tors. theta energy: -76.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 166
Temperature: 1.150000
Total energy: -940.969855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -940.969855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -940.969855 (E_RNA)
where:
Base-Base interactions energy: -613.800
where: short stacking energy: -259.680
Base-Backbone interact. energy: -1.217
local terms energy: -325.952779
where:
bonds (distance) C4'-P energy: -76.134
bonds (distance) P-C4' energy: -74.782
flat angles C4'-P-C4' energy: -77.696
flat angles P-C4'-P energy: -34.616
tors. eta vs tors. theta energy: -62.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 166
Temperature: 1.200000
Total energy: -885.330609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -885.330609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -885.330609 (E_RNA)
where:
Base-Base interactions energy: -545.297
where: short stacking energy: -239.170
Base-Backbone interact. energy: -0.542
local terms energy: -339.492048
where:
bonds (distance) C4'-P energy: -68.368
bonds (distance) P-C4' energy: -78.820
flat angles C4'-P-C4' energy: -76.240
flat angles P-C4'-P energy: -54.070
tors. eta vs tors. theta energy: -61.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 166
Temperature: 1.250000
Total energy: -852.084344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -852.084344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -852.084344 (E_RNA)
where:
Base-Base interactions energy: -551.607
where: short stacking energy: -246.197
Base-Backbone interact. energy: -0.927
local terms energy: -299.550331
where:
bonds (distance) C4'-P energy: -64.643
bonds (distance) P-C4' energy: -72.164
flat angles C4'-P-C4' energy: -73.333
flat angles P-C4'-P energy: -43.262
tors. eta vs tors. theta energy: -46.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 166
Temperature: 1.300000
Total energy: -719.142585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -719.142585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -719.142585 (E_RNA)
where:
Base-Base interactions energy: -462.948
where: short stacking energy: -223.453
Base-Backbone interact. energy: 0.121
local terms energy: -256.315002
where:
bonds (distance) C4'-P energy: -42.711
bonds (distance) P-C4' energy: -76.264
flat angles C4'-P-C4' energy: -70.158
flat angles P-C4'-P energy: -28.579
tors. eta vs tors. theta energy: -38.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 166
Temperature: 1.350000
Total energy: -395.223830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.223830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -395.223830 (E_RNA)
where:
Base-Base interactions energy: -200.870
where: short stacking energy: -106.642
Base-Backbone interact. energy: 2.915
local terms energy: -197.268620
where:
bonds (distance) C4'-P energy: -60.295
bonds (distance) P-C4' energy: -51.953
flat angles C4'-P-C4' energy: -56.429
flat angles P-C4'-P energy: -23.601
tors. eta vs tors. theta energy: -4.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 167
Temperature: 0.900000
Total energy: -1366.032435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1366.032435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1366.032435 (E_RNA)
where:
Base-Base interactions energy: -936.520
where: short stacking energy: -407.519
Base-Backbone interact. energy: -1.870
local terms energy: -427.643103
where:
bonds (distance) C4'-P energy: -83.379
bonds (distance) P-C4' energy: -75.414
flat angles C4'-P-C4' energy: -82.887
flat angles P-C4'-P energy: -60.217
tors. eta vs tors. theta energy: -125.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 167
Temperature: 0.950000
Total energy: -1326.620316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1326.620316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1326.620316 (E_RNA)
where:
Base-Base interactions energy: -924.519
where: short stacking energy: -377.169
Base-Backbone interact. energy: -1.049
local terms energy: -401.052300
where:
bonds (distance) C4'-P energy: -59.440
bonds (distance) P-C4' energy: -85.002
flat angles C4'-P-C4' energy: -87.933
flat angles P-C4'-P energy: -52.974
tors. eta vs tors. theta energy: -115.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 167
Temperature: 1.000000
Total energy: -1225.582631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1225.582631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1225.582631 (E_RNA)
where:
Base-Base interactions energy: -835.429
where: short stacking energy: -372.404
Base-Backbone interact. energy: -2.611
local terms energy: -387.542484
where:
bonds (distance) C4'-P energy: -71.961
bonds (distance) P-C4' energy: -66.973
flat angles C4'-P-C4' energy: -88.511
flat angles P-C4'-P energy: -51.748
tors. eta vs tors. theta energy: -108.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 167
Temperature: 1.050000
Total energy: -1165.873368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1165.873368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1165.873368 (E_RNA)
where:
Base-Base interactions energy: -801.084
where: short stacking energy: -327.869
Base-Backbone interact. energy: -4.058
local terms energy: -360.730746
where:
bonds (distance) C4'-P energy: -65.307
bonds (distance) P-C4' energy: -68.798
flat angles C4'-P-C4' energy: -83.322
flat angles P-C4'-P energy: -51.126
tors. eta vs tors. theta energy: -92.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 167
Temperature: 1.100000
Total energy: -1147.952908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1147.952908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1147.952908 (E_RNA)
where:
Base-Base interactions energy: -806.358
where: short stacking energy: -326.143
Base-Backbone interact. energy: -3.354
local terms energy: -338.240308
where:
bonds (distance) C4'-P energy: -72.824
bonds (distance) P-C4' energy: -63.153
flat angles C4'-P-C4' energy: -77.407
flat angles P-C4'-P energy: -35.276
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: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 167
Temperature: 1.150000
Total energy: -947.277005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -947.277005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -947.277005 (E_RNA)
where:
Base-Base interactions energy: -611.535
where: short stacking energy: -280.052
Base-Backbone interact. energy: -2.701
local terms energy: -333.041599
where:
bonds (distance) C4'-P energy: -68.973
bonds (distance) P-C4' energy: -76.886
flat angles C4'-P-C4' energy: -71.560
flat angles P-C4'-P energy: -37.798
tors. eta vs tors. theta energy: -77.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 167
Temperature: 1.200000
Total energy: -857.223139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -857.223139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -857.223139 (E_RNA)
where:
Base-Base interactions energy: -575.731
where: short stacking energy: -250.408
Base-Backbone interact. energy: -1.602
local terms energy: -279.890932
where:
bonds (distance) C4'-P energy: -66.096
bonds (distance) P-C4' energy: -60.591
flat angles C4'-P-C4' energy: -52.020
flat angles P-C4'-P energy: -45.960
tors. eta vs tors. theta energy: -55.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 167
Temperature: 1.250000
Total energy: -795.203423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -795.203423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -795.203423 (E_RNA)
where:
Base-Base interactions energy: -523.337
where: short stacking energy: -225.158
Base-Backbone interact. energy: -2.206
local terms energy: -269.660659
where:
bonds (distance) C4'-P energy: -60.319
bonds (distance) P-C4' energy: -65.547
flat angles C4'-P-C4' energy: -64.127
flat angles P-C4'-P energy: -38.437
tors. eta vs tors. theta energy: -41.230
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: 10
=====================================
Write number: 167
Temperature: 1.300000
Total energy: -715.486472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -715.486472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -715.486472 (E_RNA)
where:
Base-Base interactions energy: -450.480
where: short stacking energy: -223.473
Base-Backbone interact. energy: 0.507
local terms energy: -267.854415
where:
bonds (distance) C4'-P energy: -53.190
bonds (distance) P-C4' energy: -65.789
flat angles C4'-P-C4' energy: -62.438
flat angles P-C4'-P energy: -43.334
tors. eta vs tors. theta energy: -43.103
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: 10, replica: 4
=====================================
Write number: 167
Temperature: 1.350000
Total energy: -450.793098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.793098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.793098 (E_RNA)
where:
Base-Base interactions energy: -229.368
where: short stacking energy: -129.666
Base-Backbone interact. energy: -0.566
local terms energy: -220.858171
where:
bonds (distance) C4'-P energy: -55.326
bonds (distance) P-C4' energy: -66.824
flat angles C4'-P-C4' energy: -66.094
flat angles P-C4'-P energy: -36.305
tors. eta vs tors. theta energy: 3.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 168
Temperature: 0.900000
Total energy: -1336.645895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1336.645895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1336.645895 (E_RNA)
where:
Base-Base interactions energy: -954.442
where: short stacking energy: -400.350
Base-Backbone interact. energy: -0.996
local terms energy: -381.207818
where:
bonds (distance) C4'-P energy: -63.817
bonds (distance) P-C4' energy: -79.819
flat angles C4'-P-C4' energy: -73.469
flat angles P-C4'-P energy: -56.266
tors. eta vs tors. theta energy: -107.835
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: 2, replica: 3
=====================================
Write number: 168
Temperature: 0.950000
Total energy: -1348.673872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1348.673872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1348.673872 (E_RNA)
where:
Base-Base interactions energy: -921.038
where: short stacking energy: -404.949
Base-Backbone interact. energy: 0.760
local terms energy: -428.396367
where:
bonds (distance) C4'-P energy: -78.224
bonds (distance) P-C4' energy: -75.069
flat angles C4'-P-C4' energy: -85.011
flat angles P-C4'-P energy: -63.331
tors. eta vs tors. theta energy: -126.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 168
Temperature: 1.000000
Total energy: -1186.521398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1186.521398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1186.521398 (E_RNA)
where:
Base-Base interactions energy: -809.482
where: short stacking energy: -356.720
Base-Backbone interact. energy: -0.425
local terms energy: -376.614406
where:
bonds (distance) C4'-P energy: -81.548
bonds (distance) P-C4' energy: -67.542
flat angles C4'-P-C4' energy: -76.171
flat angles P-C4'-P energy: -55.611
tors. eta vs tors. theta energy: -95.742
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: 8
=====================================
Write number: 168
Temperature: 1.050000
Total energy: -1193.571031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1193.571031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1193.571031 (E_RNA)
where:
Base-Base interactions energy: -822.034
where: short stacking energy: -341.686
Base-Backbone interact. energy: -0.655
local terms energy: -370.882401
where:
bonds (distance) C4'-P energy: -64.876
bonds (distance) P-C4' energy: -73.893
flat angles C4'-P-C4' energy: -79.576
flat angles P-C4'-P energy: -52.745
tors. eta vs tors. theta energy: -99.793
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: 6
=====================================
Write number: 168
Temperature: 1.100000
Total energy: -1128.611083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1128.611083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1128.611083 (E_RNA)
where:
Base-Base interactions energy: -801.098
where: short stacking energy: -324.270
Base-Backbone interact. energy: -1.925
local terms energy: -325.587362
where:
bonds (distance) C4'-P energy: -72.716
bonds (distance) P-C4' energy: -70.173
flat angles C4'-P-C4' energy: -64.775
flat angles P-C4'-P energy: -42.848
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: 6, replica: 7
=====================================
Write number: 168
Temperature: 1.150000
Total energy: -965.099102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -965.099102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -965.099102 (E_RNA)
where:
Base-Base interactions energy: -637.425
where: short stacking energy: -287.736
Base-Backbone interact. energy: 0.129
local terms energy: -328.927619
where:
bonds (distance) C4'-P energy: -54.495
bonds (distance) P-C4' energy: -68.748
flat angles C4'-P-C4' energy: -78.367
flat angles P-C4'-P energy: -45.230
tors. eta vs tors. theta energy: -82.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.124 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 168
Temperature: 1.200000
Total energy: -862.467050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -862.467050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -862.467050 (E_RNA)
where:
Base-Base interactions energy: -566.583
where: short stacking energy: -256.559
Base-Backbone interact. energy: -0.551
local terms energy: -295.332467
where:
bonds (distance) C4'-P energy: -58.897
bonds (distance) P-C4' energy: -74.918
flat angles C4'-P-C4' energy: -65.115
flat angles P-C4'-P energy: -39.003
tors. eta vs tors. theta energy: -57.399
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: 9
=====================================
Write number: 168
Temperature: 1.250000
Total energy: -807.187082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -807.187082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -807.187082 (E_RNA)
where:
Base-Base interactions energy: -520.631
where: short stacking energy: -220.518
Base-Backbone interact. energy: 0.045
local terms energy: -286.601758
where:
bonds (distance) C4'-P energy: -55.931
bonds (distance) P-C4' energy: -72.759
flat angles C4'-P-C4' energy: -65.600
flat angles P-C4'-P energy: -44.192
tors. eta vs tors. theta energy: -48.121
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: 10
=====================================
Write number: 168
Temperature: 1.300000
Total energy: -656.825251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -656.825251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -656.825251 (E_RNA)
where:
Base-Base interactions energy: -398.765
where: short stacking energy: -169.947
Base-Backbone interact. energy: -0.874
local terms energy: -257.185696
where:
bonds (distance) C4'-P energy: -71.940
bonds (distance) P-C4' energy: -73.365
flat angles C4'-P-C4' energy: -57.775
flat angles P-C4'-P energy: -33.409
tors. eta vs tors. theta energy: -20.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 168
Temperature: 1.350000
Total energy: -431.639656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.639656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.639656 (E_RNA)
where:
Base-Base interactions energy: -202.839
where: short stacking energy: -117.756
Base-Backbone interact. energy: 0.497
local terms energy: -229.298531
where:
bonds (distance) C4'-P energy: -62.042
bonds (distance) P-C4' energy: -71.030
flat angles C4'-P-C4' energy: -66.184
flat angles P-C4'-P energy: -34.566
tors. eta vs tors. theta energy: 4.524
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: 5
=====================================
Write number: 169
Temperature: 0.900000
Total energy: -1344.658835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1344.658835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1344.658835 (E_RNA)
where:
Base-Base interactions energy: -946.184
where: short stacking energy: -384.379
Base-Backbone interact. energy: -1.830
local terms energy: -396.645143
where:
bonds (distance) C4'-P energy: -63.344
bonds (distance) P-C4' energy: -75.503
flat angles C4'-P-C4' energy: -83.797
flat angles P-C4'-P energy: -60.410
tors. eta vs tors. theta energy: -113.591
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: 2, replica: 3
=====================================
Write number: 169
Temperature: 0.950000
Total energy: -1350.884808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1350.884808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1350.884808 (E_RNA)
where:
Base-Base interactions energy: -915.687
where: short stacking energy: -393.360
Base-Backbone interact. energy: -0.901
local terms energy: -434.297326
where:
bonds (distance) C4'-P energy: -77.926
bonds (distance) P-C4' energy: -79.455
flat angles C4'-P-C4' energy: -96.311
flat angles P-C4'-P energy: -64.827
tors. eta vs tors. theta energy: -115.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 169
Temperature: 1.000000
Total energy: -1191.749384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1191.749384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1191.749384 (E_RNA)
where:
Base-Base interactions energy: -841.725
where: short stacking energy: -355.692
Base-Backbone interact. energy: 0.609
local terms energy: -350.633618
where:
bonds (distance) C4'-P energy: -67.706
bonds (distance) P-C4' energy: -63.401
flat angles C4'-P-C4' energy: -78.573
flat angles P-C4'-P energy: -51.254
tors. eta vs tors. theta energy: -89.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 169
Temperature: 1.050000
Total energy: -1162.597002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1162.597002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1162.597002 (E_RNA)
where:
Base-Base interactions energy: -802.512
where: short stacking energy: -339.028
Base-Backbone interact. energy: -3.532
local terms energy: -356.552798
where:
bonds (distance) C4'-P energy: -66.443
bonds (distance) P-C4' energy: -71.179
flat angles C4'-P-C4' energy: -61.788
flat angles P-C4'-P energy: -56.936
tors. eta vs tors. theta energy: -100.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 169
Temperature: 1.100000
Total energy: -1132.627653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1132.627653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1132.627653 (E_RNA)
where:
Base-Base interactions energy: -813.886
where: short stacking energy: -322.076
Base-Backbone interact. energy: -0.328
local terms energy: -318.413690
where:
bonds (distance) C4'-P energy: -67.114
bonds (distance) P-C4' energy: -61.943
flat angles C4'-P-C4' energy: -64.905
flat angles P-C4'-P energy: -48.583
tors. eta vs tors. theta energy: -75.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 169
Temperature: 1.150000
Total energy: -947.866247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -947.866247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -947.866247 (E_RNA)
where:
Base-Base interactions energy: -613.235
where: short stacking energy: -266.129
Base-Backbone interact. energy: -0.689
local terms energy: -333.941867
where:
bonds (distance) C4'-P energy: -63.586
bonds (distance) P-C4' energy: -83.473
flat angles C4'-P-C4' energy: -69.723
flat angles P-C4'-P energy: -38.398
tors. eta vs tors. theta energy: -78.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 169
Temperature: 1.200000
Total energy: -888.239044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -888.239044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -888.239044 (E_RNA)
where:
Base-Base interactions energy: -598.735
where: short stacking energy: -250.464
Base-Backbone interact. energy: -0.164
local terms energy: -289.340559
where:
bonds (distance) C4'-P energy: -57.596
bonds (distance) P-C4' energy: -75.170
flat angles C4'-P-C4' energy: -67.062
flat angles P-C4'-P energy: -36.429
tors. eta vs tors. theta energy: -53.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 169
Temperature: 1.250000
Total energy: -835.601805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -835.601805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -835.601805 (E_RNA)
where:
Base-Base interactions energy: -560.296
where: short stacking energy: -243.510
Base-Backbone interact. energy: 4.943
local terms energy: -280.248671
where:
bonds (distance) C4'-P energy: -60.138
bonds (distance) P-C4' energy: -69.017
flat angles C4'-P-C4' energy: -67.020
flat angles P-C4'-P energy: -27.511
tors. eta vs tors. theta energy: -56.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 169
Temperature: 1.300000
Total energy: -640.379414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -640.379414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -640.379414 (E_RNA)
where:
Base-Base interactions energy: -388.908
where: short stacking energy: -181.627
Base-Backbone interact. energy: 0.726
local terms energy: -252.197722
where:
bonds (distance) C4'-P energy: -58.958
bonds (distance) P-C4' energy: -60.420
flat angles C4'-P-C4' energy: -65.491
flat angles P-C4'-P energy: -36.218
tors. eta vs tors. theta energy: -31.110
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: 4
=====================================
Write number: 169
Temperature: 1.350000
Total energy: -457.300963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.300963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.300963 (E_RNA)
where:
Base-Base interactions energy: -223.166
where: short stacking energy: -140.256
Base-Backbone interact. energy: 0.581
local terms energy: -234.715937
where:
bonds (distance) C4'-P energy: -60.349
bonds (distance) P-C4' energy: -81.753
flat angles C4'-P-C4' energy: -51.774
flat angles P-C4'-P energy: -25.921
tors. eta vs tors. theta energy: -14.918
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: 1, replica: 3
=====================================
Write number: 170
Temperature: 0.900000
Total energy: -1349.753673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1349.753673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1349.753673 (E_RNA)
where:
Base-Base interactions energy: -928.491
where: short stacking energy: -400.007
Base-Backbone interact. energy: 0.045
local terms energy: -421.307794
where:
bonds (distance) C4'-P energy: -69.115
bonds (distance) P-C4' energy: -85.803
flat angles C4'-P-C4' energy: -86.529
flat angles P-C4'-P energy: -57.018
tors. eta vs tors. theta energy: -122.843
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: 5
=====================================
Write number: 170
Temperature: 0.950000
Total energy: -1330.645311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1330.645311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1330.645311 (E_RNA)
where:
Base-Base interactions energy: -934.315
where: short stacking energy: -367.799
Base-Backbone interact. energy: -3.089
local terms energy: -393.241457
where:
bonds (distance) C4'-P energy: -64.854
bonds (distance) P-C4' energy: -78.235
flat angles C4'-P-C4' energy: -85.609
flat angles P-C4'-P energy: -58.558
tors. eta vs tors. theta energy: -105.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 170
Temperature: 1.000000
Total energy: -1198.829728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1198.829728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1198.829728 (E_RNA)
where:
Base-Base interactions energy: -835.124
where: short stacking energy: -347.216
Base-Backbone interact. energy: 0.849
local terms energy: -365.004573
where:
bonds (distance) C4'-P energy: -75.202
bonds (distance) P-C4' energy: -67.397
flat angles C4'-P-C4' energy: -78.498
flat angles P-C4'-P energy: -47.078
tors. eta vs tors. theta energy: -96.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.450 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 170
Temperature: 1.050000
Total energy: -1176.093271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1176.093271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1176.093271 (E_RNA)
where:
Base-Base interactions energy: -816.469
where: short stacking energy: -339.223
Base-Backbone interact. energy: -2.250
local terms energy: -357.373989
where:
bonds (distance) C4'-P energy: -74.750
bonds (distance) P-C4' energy: -67.086
flat angles C4'-P-C4' energy: -82.918
flat angles P-C4'-P energy: -46.997
tors. eta vs tors. theta energy: -85.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 170
Temperature: 1.100000
Total energy: -1148.263668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1148.263668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1148.263668 (E_RNA)
where:
Base-Base interactions energy: -808.093
where: short stacking energy: -317.835
Base-Backbone interact. energy: -0.669
local terms energy: -339.502614
where:
bonds (distance) C4'-P energy: -55.272
bonds (distance) P-C4' energy: -69.834
flat angles C4'-P-C4' energy: -83.730
flat angles P-C4'-P energy: -50.641
tors. eta vs tors. theta energy: -80.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 170
Temperature: 1.150000
Total energy: -983.015809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -983.015809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -983.015809 (E_RNA)
where:
Base-Base interactions energy: -643.794
where: short stacking energy: -280.245
Base-Backbone interact. energy: -0.535
local terms energy: -338.686786
where:
bonds (distance) C4'-P energy: -61.675
bonds (distance) P-C4' energy: -75.577
flat angles C4'-P-C4' energy: -78.930
flat angles P-C4'-P energy: -52.565
tors. eta vs tors. theta energy: -69.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 170
Temperature: 1.200000
Total energy: -923.589398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -923.589398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -923.589398 (E_RNA)
where:
Base-Base interactions energy: -621.743
where: short stacking energy: -267.022
Base-Backbone interact. energy: -1.991
local terms energy: -299.855514
where:
bonds (distance) C4'-P energy: -55.831
bonds (distance) P-C4' energy: -52.850
flat angles C4'-P-C4' energy: -68.652
flat angles P-C4'-P energy: -54.555
tors. eta vs tors. theta energy: -67.966
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: 8, replica: 1
=====================================
Write number: 170
Temperature: 1.250000
Total energy: -826.560235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -826.560235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -826.560235 (E_RNA)
where:
Base-Base interactions energy: -561.032
where: short stacking energy: -247.920
Base-Backbone interact. energy: -1.095
local terms energy: -264.433136
where:
bonds (distance) C4'-P energy: -53.159
bonds (distance) P-C4' energy: -45.849
flat angles C4'-P-C4' energy: -74.481
flat angles P-C4'-P energy: -38.113
tors. eta vs tors. theta energy: -52.831
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: 10
=====================================
Write number: 170
Temperature: 1.300000
Total energy: -575.759601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -575.759601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -575.759601 (E_RNA)
where:
Base-Base interactions energy: -334.522
where: short stacking energy: -168.365
Base-Backbone interact. energy: 0.664
local terms energy: -241.901874
where:
bonds (distance) C4'-P energy: -63.361
bonds (distance) P-C4' energy: -69.728
flat angles C4'-P-C4' energy: -61.122
flat angles P-C4'-P energy: -32.389
tors. eta vs tors. theta energy: -15.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 170
Temperature: 1.350000
Total energy: -403.689088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.689088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.689088 (E_RNA)
where:
Base-Base interactions energy: -195.816
where: short stacking energy: -111.588
Base-Backbone interact. energy: -1.743
local terms energy: -206.129709
where:
bonds (distance) C4'-P energy: -67.021
bonds (distance) P-C4' energy: -77.764
flat angles C4'-P-C4' energy: -42.113
flat angles P-C4'-P energy: -35.954
tors. eta vs tors. theta energy: 16.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 171
Temperature: 0.900000
Total energy: -1354.572746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1354.572746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1354.572746 (E_RNA)
where:
Base-Base interactions energy: -940.353
where: short stacking energy: -412.309
Base-Backbone interact. energy: 1.002
local terms energy: -415.222059
where:
bonds (distance) C4'-P energy: -63.831
bonds (distance) P-C4' energy: -88.236
flat angles C4'-P-C4' energy: -85.892
flat angles P-C4'-P energy: -55.295
tors. eta vs tors. theta energy: -121.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 171
Temperature: 0.950000
Total energy: -1345.527692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1345.527692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1345.527692 (E_RNA)
where:
Base-Base interactions energy: -949.821
where: short stacking energy: -387.869
Base-Backbone interact. energy: -1.440
local terms energy: -394.266880
where:
bonds (distance) C4'-P energy: -71.992
bonds (distance) P-C4' energy: -65.808
flat angles C4'-P-C4' energy: -87.815
flat angles P-C4'-P energy: -52.678
tors. eta vs tors. theta energy: -115.973
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: 8
=====================================
Write number: 171
Temperature: 1.000000
Total energy: -1198.262901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1198.262901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1198.262901 (E_RNA)
where:
Base-Base interactions energy: -812.905
where: short stacking energy: -359.546
Base-Backbone interact. energy: -2.006
local terms energy: -383.350938
where:
bonds (distance) C4'-P energy: -60.610
bonds (distance) P-C4' energy: -74.091
flat angles C4'-P-C4' energy: -87.639
flat angles P-C4'-P energy: -64.173
tors. eta vs tors. theta energy: -96.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 171
Temperature: 1.050000
Total energy: -1143.355191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1143.355191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1143.355191 (E_RNA)
where:
Base-Base interactions energy: -790.404
where: short stacking energy: -329.390
Base-Backbone interact. energy: -2.458
local terms energy: -350.493204
where:
bonds (distance) C4'-P energy: -67.720
bonds (distance) P-C4' energy: -72.815
flat angles C4'-P-C4' energy: -75.257
flat angles P-C4'-P energy: -47.899
tors. eta vs tors. theta energy: -86.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 171
Temperature: 1.100000
Total energy: -1175.965177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1175.965177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1175.965177 (E_RNA)
where:
Base-Base interactions energy: -822.960
where: short stacking energy: -325.202
Base-Backbone interact. energy: -2.028
local terms energy: -350.977073
where:
bonds (distance) C4'-P energy: -68.579
bonds (distance) P-C4' energy: -80.607
flat angles C4'-P-C4' energy: -73.048
flat angles P-C4'-P energy: -49.256
tors. eta vs tors. theta energy: -79.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 171
Temperature: 1.150000
Total energy: -958.347982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -958.347982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -958.347982 (E_RNA)
where:
Base-Base interactions energy: -637.973
where: short stacking energy: -286.842
Base-Backbone interact. energy: -0.918
local terms energy: -319.456423
where:
bonds (distance) C4'-P energy: -70.219
bonds (distance) P-C4' energy: -70.278
flat angles C4'-P-C4' energy: -67.486
flat angles P-C4'-P energy: -40.230
tors. eta vs tors. theta energy: -71.242
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: 9
=====================================
Write number: 171
Temperature: 1.200000
Total energy: -855.623193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -855.623193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -855.623193 (E_RNA)
where:
Base-Base interactions energy: -552.761
where: short stacking energy: -238.684
Base-Backbone interact. energy: -0.304
local terms energy: -302.558655
where:
bonds (distance) C4'-P energy: -73.737
bonds (distance) P-C4' energy: -75.602
flat angles C4'-P-C4' energy: -68.427
flat angles P-C4'-P energy: -33.328
tors. eta vs tors. theta energy: -51.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 171
Temperature: 1.250000
Total energy: -796.331878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -796.331878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -796.331878 (E_RNA)
where:
Base-Base interactions energy: -516.987
where: short stacking energy: -235.197
Base-Backbone interact. energy: -0.875
local terms energy: -278.469669
where:
bonds (distance) C4'-P energy: -60.383
bonds (distance) P-C4' energy: -69.876
flat angles C4'-P-C4' energy: -57.142
flat angles P-C4'-P energy: -46.505
tors. eta vs tors. theta energy: -44.564
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: 10
=====================================
Write number: 171
Temperature: 1.300000
Total energy: -602.107418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -602.107418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -602.107418 (E_RNA)
where:
Base-Base interactions energy: -365.910
where: short stacking energy: -202.832
Base-Backbone interact. energy: -1.910
local terms energy: -239.116383
where:
bonds (distance) C4'-P energy: -61.447
bonds (distance) P-C4' energy: -55.919
flat angles C4'-P-C4' energy: -51.972
flat angles P-C4'-P energy: -46.948
tors. eta vs tors. theta energy: -22.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 4.829 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 171
Temperature: 1.350000
Total energy: -392.171818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.171818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.171818 (E_RNA)
where:
Base-Base interactions energy: -221.883
where: short stacking energy: -124.068
Base-Backbone interact. energy: -0.089
local terms energy: -170.199807
where:
bonds (distance) C4'-P energy: -48.186
bonds (distance) P-C4' energy: -47.334
flat angles C4'-P-C4' energy: -51.434
flat angles P-C4'-P energy: -28.228
tors. eta vs tors. theta energy: 4.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 172
Temperature: 0.900000
Total energy: -1346.755321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1346.755321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1346.755321 (E_RNA)
where:
Base-Base interactions energy: -940.098
where: short stacking energy: -411.006
Base-Backbone interact. energy: -1.975
local terms energy: -404.681798
where:
bonds (distance) C4'-P energy: -72.565
bonds (distance) P-C4' energy: -73.495
flat angles C4'-P-C4' energy: -82.012
flat angles P-C4'-P energy: -60.037
tors. eta vs tors. theta energy: -116.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 172
Temperature: 0.950000
Total energy: -1319.884843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1319.884843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1319.884843 (E_RNA)
where:
Base-Base interactions energy: -924.512
where: short stacking energy: -375.073
Base-Backbone interact. energy: -2.917
local terms energy: -392.455600
where:
bonds (distance) C4'-P energy: -74.190
bonds (distance) P-C4' energy: -76.861
flat angles C4'-P-C4' energy: -83.821
flat angles P-C4'-P energy: -50.604
tors. eta vs tors. theta energy: -106.979
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: 8
=====================================
Write number: 172
Temperature: 1.000000
Total energy: -1210.273695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1210.273695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1210.273695 (E_RNA)
where:
Base-Base interactions energy: -850.682
where: short stacking energy: -356.265
Base-Backbone interact. energy: -0.044
local terms energy: -359.547562
where:
bonds (distance) C4'-P energy: -65.486
bonds (distance) P-C4' energy: -55.004
flat angles C4'-P-C4' energy: -88.288
flat angles P-C4'-P energy: -44.092
tors. eta vs tors. theta energy: -106.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 172
Temperature: 1.050000
Total energy: -1163.974841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1163.974841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1163.974841 (E_RNA)
where:
Base-Base interactions energy: -824.953
where: short stacking energy: -319.150
Base-Backbone interact. energy: 0.997
local terms energy: -340.019674
where:
bonds (distance) C4'-P energy: -65.171
bonds (distance) P-C4' energy: -71.639
flat angles C4'-P-C4' energy: -67.215
flat angles P-C4'-P energy: -56.565
tors. eta vs tors. theta energy: -79.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 172
Temperature: 1.100000
Total energy: -1195.557117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1195.557117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1195.557117 (E_RNA)
where:
Base-Base interactions energy: -864.539
where: short stacking energy: -338.536
Base-Backbone interact. energy: -1.316
local terms energy: -329.701280
where:
bonds (distance) C4'-P energy: -72.932
bonds (distance) P-C4' energy: -75.644
flat angles C4'-P-C4' energy: -74.314
flat angles P-C4'-P energy: -37.027
tors. eta vs tors. theta energy: -69.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 172
Temperature: 1.150000
Total energy: -881.817833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -881.817833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -881.817833 (E_RNA)
where:
Base-Base interactions energy: -584.279
where: short stacking energy: -264.156
Base-Backbone interact. energy: 2.504
local terms energy: -300.043440
where:
bonds (distance) C4'-P energy: -63.308
bonds (distance) P-C4' energy: -54.921
flat angles C4'-P-C4' energy: -74.895
flat angles P-C4'-P energy: -50.884
tors. eta vs tors. theta energy: -56.036
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: 7, replica: 1
=====================================
Write number: 172
Temperature: 1.200000
Total energy: -895.745610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -895.745610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -895.745610 (E_RNA)
where:
Base-Base interactions energy: -590.155
where: short stacking energy: -263.883
Base-Backbone interact. energy: 0.398
local terms energy: -305.988760
where:
bonds (distance) C4'-P energy: -54.417
bonds (distance) P-C4' energy: -67.618
flat angles C4'-P-C4' energy: -62.878
flat angles P-C4'-P energy: -55.675
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: 8, replica: 9
=====================================
Write number: 172
Temperature: 1.250000
Total energy: -825.149686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -825.149686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -825.149686 (E_RNA)
where:
Base-Base interactions energy: -552.666
where: short stacking energy: -252.415
Base-Backbone interact. energy: -0.854
local terms energy: -271.629657
where:
bonds (distance) C4'-P energy: -42.427
bonds (distance) P-C4' energy: -74.435
flat angles C4'-P-C4' energy: -63.454
flat angles P-C4'-P energy: -36.387
tors. eta vs tors. theta energy: -54.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 172
Temperature: 1.300000
Total energy: -549.149331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.149331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.149331 (E_RNA)
where:
Base-Base interactions energy: -308.397
where: short stacking energy: -167.524
Base-Backbone interact. energy: 1.218
local terms energy: -246.700761
where:
bonds (distance) C4'-P energy: -67.372
bonds (distance) P-C4' energy: -81.915
flat angles C4'-P-C4' energy: -58.190
flat angles P-C4'-P energy: -23.212
tors. eta vs tors. theta energy: -16.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 4.731 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 172
Temperature: 1.350000
Total energy: -375.260215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.260215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.260215 (E_RNA)
where:
Base-Base interactions energy: -161.969
where: short stacking energy: -99.620
Base-Backbone interact. energy: -0.143
local terms energy: -213.148647
where:
bonds (distance) C4'-P energy: -62.194
bonds (distance) P-C4' energy: -81.766
flat angles C4'-P-C4' energy: -45.170
flat angles P-C4'-P energy: -26.010
tors. eta vs tors. theta energy: 1.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 173
Temperature: 0.900000
Total energy: -1337.591300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1337.591300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1337.591300 (E_RNA)
where:
Base-Base interactions energy: -916.468
where: short stacking energy: -382.590
Base-Backbone interact. energy: -3.701
local terms energy: -417.422902
where:
bonds (distance) C4'-P energy: -76.311
bonds (distance) P-C4' energy: -79.898
flat angles C4'-P-C4' energy: -88.991
flat angles P-C4'-P energy: -60.402
tors. eta vs tors. theta energy: -111.821
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: 5
=====================================
Write number: 173
Temperature: 0.950000
Total energy: -1323.758138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1323.758138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1323.758138 (E_RNA)
where:
Base-Base interactions energy: -926.019
where: short stacking energy: -373.014
Base-Backbone interact. energy: -3.548
local terms energy: -394.191492
where:
bonds (distance) C4'-P energy: -72.231
bonds (distance) P-C4' energy: -67.712
flat angles C4'-P-C4' energy: -85.675
flat angles P-C4'-P energy: -57.629
tors. eta vs tors. theta energy: -110.944
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: 8
=====================================
Write number: 173
Temperature: 1.000000
Total energy: -1206.241796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1206.241796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1206.241796 (E_RNA)
where:
Base-Base interactions energy: -824.269
where: short stacking energy: -360.651
Base-Backbone interact. energy: -3.181
local terms energy: -378.791950
where:
bonds (distance) C4'-P energy: -72.551
bonds (distance) P-C4' energy: -77.916
flat angles C4'-P-C4' energy: -77.470
flat angles P-C4'-P energy: -55.657
tors. eta vs tors. theta energy: -95.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 173
Temperature: 1.050000
Total energy: -1138.869328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1138.869328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1138.869328 (E_RNA)
where:
Base-Base interactions energy: -780.715
where: short stacking energy: -312.013
Base-Backbone interact. energy: -3.655
local terms energy: -354.500016
where:
bonds (distance) C4'-P energy: -71.557
bonds (distance) P-C4' energy: -67.358
flat angles C4'-P-C4' energy: -72.702
flat angles P-C4'-P energy: -55.501
tors. eta vs tors. theta energy: -87.382
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: 6
=====================================
Write number: 173
Temperature: 1.100000
Total energy: -1147.918205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1147.918205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1147.918205 (E_RNA)
where:
Base-Base interactions energy: -810.417
where: short stacking energy: -314.118
Base-Backbone interact. energy: -2.113
local terms energy: -335.388163
where:
bonds (distance) C4'-P energy: -64.728
bonds (distance) P-C4' energy: -59.672
flat angles C4'-P-C4' energy: -79.287
flat angles P-C4'-P energy: -50.192
tors. eta vs tors. theta energy: -81.509
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: 7
=====================================
Write number: 173
Temperature: 1.150000
Total energy: -918.394946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -918.394946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -918.394946 (E_RNA)
where:
Base-Base interactions energy: -601.168
where: short stacking energy: -254.171
Base-Backbone interact. energy: -1.715
local terms energy: -315.675232
where:
bonds (distance) C4'-P energy: -69.729
bonds (distance) P-C4' energy: -69.551
flat angles C4'-P-C4' energy: -74.813
flat angles P-C4'-P energy: -39.745
tors. eta vs tors. theta energy: -61.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.164 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 173
Temperature: 1.200000
Total energy: -845.041572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -845.041572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -845.041572 (E_RNA)
where:
Base-Base interactions energy: -543.151
where: short stacking energy: -227.898
Base-Backbone interact. energy: 0.562
local terms energy: -302.452663
where:
bonds (distance) C4'-P energy: -68.722
bonds (distance) P-C4' energy: -72.338
flat angles C4'-P-C4' energy: -70.838
flat angles P-C4'-P energy: -34.709
tors. eta vs tors. theta energy: -55.847
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: 8, replica: 9
=====================================
Write number: 173
Temperature: 1.250000
Total energy: -820.056460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -820.056460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -820.056460 (E_RNA)
where:
Base-Base interactions energy: -537.266
where: short stacking energy: -226.206
Base-Backbone interact. energy: -2.402
local terms energy: -280.388740
where:
bonds (distance) C4'-P energy: -69.453
bonds (distance) P-C4' energy: -61.538
flat angles C4'-P-C4' energy: -69.414
flat angles P-C4'-P energy: -44.752
tors. eta vs tors. theta energy: -35.231
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: 9, replica: 10
=====================================
Write number: 173
Temperature: 1.300000
Total energy: -518.737184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.737184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.737184 (E_RNA)
where:
Base-Base interactions energy: -294.614
where: short stacking energy: -162.657
Base-Backbone interact. energy: -0.915
local terms energy: -223.322920
where:
bonds (distance) C4'-P energy: -52.313
bonds (distance) P-C4' energy: -72.314
flat angles C4'-P-C4' energy: -57.791
flat angles P-C4'-P energy: -22.370
tors. eta vs tors. theta energy: -18.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.114 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 173
Temperature: 1.350000
Total energy: -404.012824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.012824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.012824 (E_RNA)
where:
Base-Base interactions energy: -190.270
where: short stacking energy: -107.438
Base-Backbone interact. energy: 0.210
local terms energy: -213.953721
where:
bonds (distance) C4'-P energy: -58.630
bonds (distance) P-C4' energy: -62.919
flat angles C4'-P-C4' energy: -64.052
flat angles P-C4'-P energy: -33.978
tors. eta vs tors. theta energy: 5.626
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: 174
Temperature: 0.900000
Total energy: -1354.825569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1354.825569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1354.825569 (E_RNA)
where:
Base-Base interactions energy: -923.769
where: short stacking energy: -392.585
Base-Backbone interact. energy: -2.621
local terms energy: -428.436128
where:
bonds (distance) C4'-P energy: -79.088
bonds (distance) P-C4' energy: -79.357
flat angles C4'-P-C4' energy: -84.734
flat angles P-C4'-P energy: -62.418
tors. eta vs tors. theta energy: -122.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 174
Temperature: 0.950000
Total energy: -1308.565936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1308.565936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1308.565936 (E_RNA)
where:
Base-Base interactions energy: -920.939
where: short stacking energy: -379.566
Base-Backbone interact. energy: -1.792
local terms energy: -385.834885
where:
bonds (distance) C4'-P energy: -68.392
bonds (distance) P-C4' energy: -77.676
flat angles C4'-P-C4' energy: -81.312
flat angles P-C4'-P energy: -54.314
tors. eta vs tors. theta energy: -104.141
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: 8
=====================================
Write number: 174
Temperature: 1.000000
Total energy: -1191.367857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1191.367857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1191.367857 (E_RNA)
where:
Base-Base interactions energy: -803.536
where: short stacking energy: -335.679
Base-Backbone interact. energy: -2.808
local terms energy: -385.023872
where:
bonds (distance) C4'-P energy: -68.996
bonds (distance) P-C4' energy: -91.137
flat angles C4'-P-C4' energy: -82.189
flat angles P-C4'-P energy: -49.383
tors. eta vs tors. theta energy: -93.319
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: 4, replica: 2
=====================================
Write number: 174
Temperature: 1.050000
Total energy: -1160.252798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1160.252798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1160.252798 (E_RNA)
where:
Base-Base interactions energy: -778.789
where: short stacking energy: -318.740
Base-Backbone interact. energy: -3.470
local terms energy: -377.993195
where:
bonds (distance) C4'-P energy: -75.825
bonds (distance) P-C4' energy: -78.658
flat angles C4'-P-C4' energy: -84.864
flat angles P-C4'-P energy: -55.594
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: 5, replica: 6
=====================================
Write number: 174
Temperature: 1.100000
Total energy: -1165.054458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1165.054458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1165.054458 (E_RNA)
where:
Base-Base interactions energy: -827.121
where: short stacking energy: -329.561
Base-Backbone interact. energy: -2.630
local terms energy: -335.303628
where:
bonds (distance) C4'-P energy: -67.849
bonds (distance) P-C4' energy: -63.310
flat angles C4'-P-C4' energy: -66.296
flat angles P-C4'-P energy: -56.499
tors. eta vs tors. theta energy: -81.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 174
Temperature: 1.150000
Total energy: -968.566636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -968.566636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -968.566636 (E_RNA)
where:
Base-Base interactions energy: -637.806
where: short stacking energy: -276.906
Base-Backbone interact. energy: -1.840
local terms energy: -328.920681
where:
bonds (distance) C4'-P energy: -58.548
bonds (distance) P-C4' energy: -67.468
flat angles C4'-P-C4' energy: -77.795
flat angles P-C4'-P energy: -55.143
tors. eta vs tors. theta energy: -69.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 174
Temperature: 1.200000
Total energy: -898.775957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -898.775957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -898.775957 (E_RNA)
where:
Base-Base interactions energy: -577.897
where: short stacking energy: -263.762
Base-Backbone interact. energy: -1.895
local terms energy: -318.984131
where:
bonds (distance) C4'-P energy: -72.871
bonds (distance) P-C4' energy: -68.970
flat angles C4'-P-C4' energy: -62.600
flat angles P-C4'-P energy: -44.428
tors. eta vs tors. theta energy: -70.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 174
Temperature: 1.250000
Total energy: -810.248325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -810.248325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -810.248325 (E_RNA)
where:
Base-Base interactions energy: -512.831
where: short stacking energy: -211.936
Base-Backbone interact. energy: -2.255
local terms energy: -295.162836
where:
bonds (distance) C4'-P energy: -49.112
bonds (distance) P-C4' energy: -66.031
flat angles C4'-P-C4' energy: -77.604
flat angles P-C4'-P energy: -42.911
tors. eta vs tors. theta energy: -59.504
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: 10
=====================================
Write number: 174
Temperature: 1.300000
Total energy: -496.667140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.667140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.667140 (E_RNA)
where:
Base-Base interactions energy: -274.001
where: short stacking energy: -143.000
Base-Backbone interact. energy: -0.762
local terms energy: -222.585956
where:
bonds (distance) C4'-P energy: -55.854
bonds (distance) P-C4' energy: -66.488
flat angles C4'-P-C4' energy: -64.836
flat angles P-C4'-P energy: -29.022
tors. eta vs tors. theta energy: -6.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.682 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 174
Temperature: 1.350000
Total energy: -404.541576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.541576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.541576 (E_RNA)
where:
Base-Base interactions energy: -185.012
where: short stacking energy: -109.951
Base-Backbone interact. energy: 2.570
local terms energy: -222.099167
where:
bonds (distance) C4'-P energy: -49.430
bonds (distance) P-C4' energy: -69.123
flat angles C4'-P-C4' energy: -53.409
flat angles P-C4'-P energy: -43.523
tors. eta vs tors. theta energy: -6.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 175
Temperature: 0.900000
Total energy: -1349.336838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1349.336838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1349.336838 (E_RNA)
where:
Base-Base interactions energy: -927.952
where: short stacking energy: -397.691
Base-Backbone interact. energy: -2.897
local terms energy: -418.487099
where:
bonds (distance) C4'-P energy: -80.817
bonds (distance) P-C4' energy: -71.566
flat angles C4'-P-C4' energy: -84.650
flat angles P-C4'-P energy: -62.359
tors. eta vs tors. theta energy: -119.096
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: 5
=====================================
Write number: 175
Temperature: 0.950000
Total energy: -1332.559327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1332.559327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1332.559327 (E_RNA)
where:
Base-Base interactions energy: -935.665
where: short stacking energy: -399.941
Base-Backbone interact. energy: -1.973
local terms energy: -394.921314
where:
bonds (distance) C4'-P energy: -65.773
bonds (distance) P-C4' energy: -70.390
flat angles C4'-P-C4' energy: -88.737
flat angles P-C4'-P energy: -53.434
tors. eta vs tors. theta energy: -116.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 175
Temperature: 1.000000
Total energy: -1211.788179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1211.788179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1211.788179 (E_RNA)
where:
Base-Base interactions energy: -841.646
where: short stacking energy: -346.794
Base-Backbone interact. energy: -2.154
local terms energy: -367.988234
where:
bonds (distance) C4'-P energy: -69.697
bonds (distance) P-C4' energy: -70.096
flat angles C4'-P-C4' energy: -74.936
flat angles P-C4'-P energy: -53.530
tors. eta vs tors. theta energy: -99.729
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: 4, replica: 6
=====================================
Write number: 175
Temperature: 1.050000
Total energy: -1211.108256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1211.108256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1211.108256 (E_RNA)
where:
Base-Base interactions energy: -864.007
where: short stacking energy: -334.824
Base-Backbone interact. energy: 0.508
local terms energy: -347.608799
where:
bonds (distance) C4'-P energy: -78.207
bonds (distance) P-C4' energy: -77.574
flat angles C4'-P-C4' energy: -70.066
flat angles P-C4'-P energy: -37.013
tors. eta vs tors. theta energy: -84.749
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: 2
=====================================
Write number: 175
Temperature: 1.100000
Total energy: -1112.018638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1112.018638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1112.018638 (E_RNA)
where:
Base-Base interactions energy: -776.150
where: short stacking energy: -294.591
Base-Backbone interact. energy: 2.028
local terms energy: -337.896141
where:
bonds (distance) C4'-P energy: -68.917
bonds (distance) P-C4' energy: -71.147
flat angles C4'-P-C4' energy: -75.328
flat angles P-C4'-P energy: -43.724
tors. eta vs tors. theta energy: -78.779
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: 7
=====================================
Write number: 175
Temperature: 1.150000
Total energy: -1006.882194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1006.882194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1006.882194 (E_RNA)
where:
Base-Base interactions energy: -680.174
where: short stacking energy: -285.218
Base-Backbone interact. energy: -0.618
local terms energy: -326.090518
where:
bonds (distance) C4'-P energy: -62.143
bonds (distance) P-C4' energy: -72.471
flat angles C4'-P-C4' energy: -67.732
flat angles P-C4'-P energy: -47.925
tors. eta vs tors. theta energy: -75.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 175
Temperature: 1.200000
Total energy: -890.553395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -890.553395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -890.553395 (E_RNA)
where:
Base-Base interactions energy: -578.921
where: short stacking energy: -272.706
Base-Backbone interact. energy: -1.343
local terms energy: -310.289416
where:
bonds (distance) C4'-P energy: -56.146
bonds (distance) P-C4' energy: -65.068
flat angles C4'-P-C4' energy: -66.276
flat angles P-C4'-P energy: -52.503
tors. eta vs tors. theta energy: -70.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 175
Temperature: 1.250000
Total energy: -834.729480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -834.729480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -834.729480 (E_RNA)
where:
Base-Base interactions energy: -556.205
where: short stacking energy: -238.220
Base-Backbone interact. energy: 4.816
local terms energy: -283.341198
where:
bonds (distance) C4'-P energy: -60.316
bonds (distance) P-C4' energy: -65.960
flat angles C4'-P-C4' energy: -62.442
flat angles P-C4'-P energy: -45.179
tors. eta vs tors. theta energy: -49.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 175
Temperature: 1.300000
Total energy: -517.782926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.782926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.782926 (E_RNA)
where:
Base-Base interactions energy: -287.467
where: short stacking energy: -159.744
Base-Backbone interact. energy: -2.596
local terms energy: -227.719935
where:
bonds (distance) C4'-P energy: -69.098
bonds (distance) P-C4' energy: -66.755
flat angles C4'-P-C4' energy: -47.346
flat angles P-C4'-P energy: -37.162
tors. eta vs tors. theta energy: -7.359
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: 10, replica: 4
=====================================
Write number: 175
Temperature: 1.350000
Total energy: -454.245796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.245796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.245796 (E_RNA)
where:
Base-Base interactions energy: -229.406
where: short stacking energy: -130.693
Base-Backbone interact. energy: -0.349
local terms energy: -224.490809
where:
bonds (distance) C4'-P energy: -59.197
bonds (distance) P-C4' energy: -76.421
flat angles C4'-P-C4' energy: -54.111
flat angles P-C4'-P energy: -39.077
tors. eta vs tors. theta energy: 4.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 176
Temperature: 0.900000
Total energy: -1341.955952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1341.955952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1341.955952 (E_RNA)
where:
Base-Base interactions energy: -914.645
where: short stacking energy: -391.173
Base-Backbone interact. energy: -0.101
local terms energy: -427.209321
where:
bonds (distance) C4'-P energy: -76.504
bonds (distance) P-C4' energy: -80.693
flat angles C4'-P-C4' energy: -82.545
flat angles P-C4'-P energy: -70.485
tors. eta vs tors. theta energy: -116.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 176
Temperature: 0.950000
Total energy: -1326.745155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1326.745155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1326.745155 (E_RNA)
where:
Base-Base interactions energy: -913.880
where: short stacking energy: -386.684
Base-Backbone interact. energy: -2.268
local terms energy: -410.597545
where:
bonds (distance) C4'-P energy: -77.848
bonds (distance) P-C4' energy: -78.749
flat angles C4'-P-C4' energy: -87.609
flat angles P-C4'-P energy: -54.308
tors. eta vs tors. theta energy: -112.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 176
Temperature: 1.000000
Total energy: -1221.418852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1221.418852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1221.418852 (E_RNA)
where:
Base-Base interactions energy: -858.713
where: short stacking energy: -325.537
Base-Backbone interact. energy: 1.504
local terms energy: -364.209613
where:
bonds (distance) C4'-P energy: -63.758
bonds (distance) P-C4' energy: -79.301
flat angles C4'-P-C4' energy: -83.595
flat angles P-C4'-P energy: -52.473
tors. eta vs tors. theta energy: -85.082
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: 4, replica: 8
=====================================
Write number: 176
Temperature: 1.050000
Total energy: -1169.813059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1169.813059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1169.813059 (E_RNA)
where:
Base-Base interactions energy: -794.053
where: short stacking energy: -328.073
Base-Backbone interact. energy: -2.579
local terms energy: -373.180561
where:
bonds (distance) C4'-P energy: -70.279
bonds (distance) P-C4' energy: -72.747
flat angles C4'-P-C4' energy: -85.734
flat angles P-C4'-P energy: -51.265
tors. eta vs tors. theta energy: -93.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 176
Temperature: 1.100000
Total energy: -1150.790513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1150.790513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1150.790513 (E_RNA)
where:
Base-Base interactions energy: -812.062
where: short stacking energy: -353.509
Base-Backbone interact. energy: -1.745
local terms energy: -336.984116
where:
bonds (distance) C4'-P energy: -60.236
bonds (distance) P-C4' energy: -62.820
flat angles C4'-P-C4' energy: -68.285
flat angles P-C4'-P energy: -51.880
tors. eta vs tors. theta energy: -93.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 176
Temperature: 1.150000
Total energy: -1012.559627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1012.559627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1012.559627 (E_RNA)
where:
Base-Base interactions energy: -666.129
where: short stacking energy: -294.312
Base-Backbone interact. energy: -0.962
local terms energy: -346.738357
where:
bonds (distance) C4'-P energy: -75.473
bonds (distance) P-C4' energy: -77.624
flat angles C4'-P-C4' energy: -76.249
flat angles P-C4'-P energy: -35.212
tors. eta vs tors. theta energy: -82.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.270 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 176
Temperature: 1.200000
Total energy: -897.278066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -897.278066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -897.278066 (E_RNA)
where:
Base-Base interactions energy: -588.520
where: short stacking energy: -248.112
Base-Backbone interact. energy: -0.308
local terms energy: -308.450287
where:
bonds (distance) C4'-P energy: -59.754
bonds (distance) P-C4' energy: -68.442
flat angles C4'-P-C4' energy: -73.485
flat angles P-C4'-P energy: -43.239
tors. eta vs tors. theta energy: -63.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 176
Temperature: 1.250000
Total energy: -864.999993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -864.999993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -864.999993 (E_RNA)
where:
Base-Base interactions energy: -565.968
where: short stacking energy: -250.924
Base-Backbone interact. energy: 1.436
local terms energy: -300.468032
where:
bonds (distance) C4'-P energy: -64.995
bonds (distance) P-C4' energy: -68.324
flat angles C4'-P-C4' energy: -71.057
flat angles P-C4'-P energy: -42.526
tors. eta vs tors. theta energy: -53.565
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: 9, replica: 10
=====================================
Write number: 176
Temperature: 1.300000
Total energy: -524.652445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.652445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.652445 (E_RNA)
where:
Base-Base interactions energy: -304.707
where: short stacking energy: -165.240
Base-Backbone interact. energy: -0.007
local terms energy: -219.939199
where:
bonds (distance) C4'-P energy: -46.617
bonds (distance) P-C4' energy: -60.600
flat angles C4'-P-C4' energy: -54.211
flat angles P-C4'-P energy: -32.528
tors. eta vs tors. theta energy: -25.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 176
Temperature: 1.350000
Total energy: -448.466111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.466111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.466111 (E_RNA)
where:
Base-Base interactions energy: -226.648
where: short stacking energy: -138.920
Base-Backbone interact. energy: -2.247
local terms energy: -219.570485
where:
bonds (distance) C4'-P energy: -56.408
bonds (distance) P-C4' energy: -64.731
flat angles C4'-P-C4' energy: -58.634
flat angles P-C4'-P energy: -30.955
tors. eta vs tors. theta energy: -8.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 177
Temperature: 0.900000
Total energy: -1363.215061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1363.215061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1363.215061 (E_RNA)
where:
Base-Base interactions energy: -944.969
where: short stacking energy: -403.865
Base-Backbone interact. energy: -2.581
local terms energy: -415.665589
where:
bonds (distance) C4'-P energy: -78.145
bonds (distance) P-C4' energy: -74.583
flat angles C4'-P-C4' energy: -88.352
flat angles P-C4'-P energy: -52.469
tors. eta vs tors. theta energy: -122.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 177
Temperature: 0.950000
Total energy: -1321.466403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1321.466403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1321.466403 (E_RNA)
where:
Base-Base interactions energy: -923.105
where: short stacking energy: -371.424
Base-Backbone interact. energy: -0.657
local terms energy: -397.703744
where:
bonds (distance) C4'-P energy: -71.640
bonds (distance) P-C4' energy: -74.747
flat angles C4'-P-C4' energy: -85.874
flat angles P-C4'-P energy: -56.980
tors. eta vs tors. theta energy: -108.463
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: 6
=====================================
Write number: 177
Temperature: 1.000000
Total energy: -1196.691343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1196.691343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1196.691343 (E_RNA)
where:
Base-Base interactions energy: -834.425
where: short stacking energy: -324.759
Base-Backbone interact. energy: 0.360
local terms energy: -362.626626
where:
bonds (distance) C4'-P energy: -70.975
bonds (distance) P-C4' energy: -82.230
flat angles C4'-P-C4' energy: -73.377
flat angles P-C4'-P energy: -48.769
tors. eta vs tors. theta energy: -87.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 177
Temperature: 1.050000
Total energy: -1170.526724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1170.526724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1170.526724 (E_RNA)
where:
Base-Base interactions energy: -815.523
where: short stacking energy: -331.552
Base-Backbone interact. energy: -1.638
local terms energy: -353.365113
where:
bonds (distance) C4'-P energy: -76.124
bonds (distance) P-C4' energy: -67.317
flat angles C4'-P-C4' energy: -75.442
flat angles P-C4'-P energy: -50.061
tors. eta vs tors. theta energy: -84.421
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: 5, replica: 8
=====================================
Write number: 177
Temperature: 1.100000
Total energy: -1077.126842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1077.126842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1077.126842 (E_RNA)
where:
Base-Base interactions energy: -740.237
where: short stacking energy: -313.736
Base-Backbone interact. energy: -2.873
local terms energy: -334.326494
where:
bonds (distance) C4'-P energy: -67.752
bonds (distance) P-C4' energy: -73.689
flat angles C4'-P-C4' energy: -76.593
flat angles P-C4'-P energy: -39.850
tors. eta vs tors. theta energy: -76.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.310 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 177
Temperature: 1.150000
Total energy: -1018.620788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1018.620788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1018.620788 (E_RNA)
where:
Base-Base interactions energy: -674.222
where: short stacking energy: -312.215
Base-Backbone interact. energy: -2.765
local terms energy: -341.633648
where:
bonds (distance) C4'-P energy: -68.133
bonds (distance) P-C4' energy: -72.002
flat angles C4'-P-C4' energy: -76.105
flat angles P-C4'-P energy: -48.712
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: 7, replica: 1
=====================================
Write number: 177
Temperature: 1.200000
Total energy: -886.137191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -886.137191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -886.137191 (E_RNA)
where:
Base-Base interactions energy: -571.760
where: short stacking energy: -244.007
Base-Backbone interact. energy: -2.067
local terms energy: -312.310099
where:
bonds (distance) C4'-P energy: -71.316
bonds (distance) P-C4' energy: -73.032
flat angles C4'-P-C4' energy: -62.214
flat angles P-C4'-P energy: -47.036
tors. eta vs tors. theta energy: -58.712
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: 8, replica: 9
=====================================
Write number: 177
Temperature: 1.250000
Total energy: -857.879199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -857.879199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -857.879199 (E_RNA)
where:
Base-Base interactions energy: -560.886
where: short stacking energy: -257.673
Base-Backbone interact. energy: -3.056
local terms energy: -293.937126
where:
bonds (distance) C4'-P energy: -67.285
bonds (distance) P-C4' energy: -67.177
flat angles C4'-P-C4' energy: -61.048
flat angles P-C4'-P energy: -53.645
tors. eta vs tors. theta energy: -44.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 177
Temperature: 1.300000
Total energy: -509.943096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.943096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.943096 (E_RNA)
where:
Base-Base interactions energy: -293.825
where: short stacking energy: -162.070
Base-Backbone interact. energy: -1.557
local terms energy: -214.561323
where:
bonds (distance) C4'-P energy: -67.555
bonds (distance) P-C4' energy: -45.802
flat angles C4'-P-C4' energy: -59.542
flat angles P-C4'-P energy: -28.453
tors. eta vs tors. theta energy: -13.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 177
Temperature: 1.350000
Total energy: -416.585345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.585345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.585345 (E_RNA)
where:
Base-Base interactions energy: -195.303
where: short stacking energy: -122.300
Base-Backbone interact. energy: -0.633
local terms energy: -220.649767
where:
bonds (distance) C4'-P energy: -64.873
bonds (distance) P-C4' energy: -67.344
flat angles C4'-P-C4' energy: -47.789
flat angles P-C4'-P energy: -32.644
tors. eta vs tors. theta energy: -8.000
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: 3
=====================================
Write number: 178
Temperature: 0.900000
Total energy: -1366.558011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1366.558011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1366.558011 (E_RNA)
where:
Base-Base interactions energy: -949.167
where: short stacking energy: -404.290
Base-Backbone interact. energy: -3.133
local terms energy: -414.258323
where:
bonds (distance) C4'-P energy: -75.378
bonds (distance) P-C4' energy: -78.285
flat angles C4'-P-C4' energy: -85.263
flat angles P-C4'-P energy: -56.413
tors. eta vs tors. theta energy: -118.919
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: 2, replica: 5
=====================================
Write number: 178
Temperature: 0.950000
Total energy: -1333.745298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1333.745298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1333.745298 (E_RNA)
where:
Base-Base interactions energy: -951.598
where: short stacking energy: -394.061
Base-Backbone interact. energy: 0.155
local terms energy: -382.301934
where:
bonds (distance) C4'-P energy: -71.528
bonds (distance) P-C4' energy: -63.673
flat angles C4'-P-C4' energy: -86.449
flat angles P-C4'-P energy: -50.698
tors. eta vs tors. theta energy: -109.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 178
Temperature: 1.000000
Total energy: -1202.473227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1202.473227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1202.473227 (E_RNA)
where:
Base-Base interactions energy: -843.597
where: short stacking energy: -344.891
Base-Backbone interact. energy: -3.075
local terms energy: -355.801279
where:
bonds (distance) C4'-P energy: -57.748
bonds (distance) P-C4' energy: -80.563
flat angles C4'-P-C4' energy: -76.213
flat angles P-C4'-P energy: -56.072
tors. eta vs tors. theta energy: -85.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 178
Temperature: 1.050000
Total energy: -1156.686210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1156.686210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1156.686210 (E_RNA)
where:
Base-Base interactions energy: -823.879
where: short stacking energy: -340.737
Base-Backbone interact. energy: -0.796
local terms energy: -332.010940
where:
bonds (distance) C4'-P energy: -63.493
bonds (distance) P-C4' energy: -69.481
flat angles C4'-P-C4' energy: -78.292
flat angles P-C4'-P energy: -39.172
tors. eta vs tors. theta energy: -81.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 178
Temperature: 1.100000
Total energy: -1024.775328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1024.775328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1024.775328 (E_RNA)
where:
Base-Base interactions energy: -691.033
where: short stacking energy: -294.971
Base-Backbone interact. energy: -1.425
local terms energy: -332.558311
where:
bonds (distance) C4'-P energy: -61.163
bonds (distance) P-C4' energy: -70.206
flat angles C4'-P-C4' energy: -72.046
flat angles P-C4'-P energy: -50.737
tors. eta vs tors. theta energy: -78.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.241 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 178
Temperature: 1.150000
Total energy: -1032.697497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1032.697497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1032.697497 (E_RNA)
where:
Base-Base interactions energy: -686.177
where: short stacking energy: -315.368
Base-Backbone interact. energy: -0.495
local terms energy: -346.025215
where:
bonds (distance) C4'-P energy: -48.338
bonds (distance) P-C4' energy: -77.411
flat angles C4'-P-C4' energy: -81.295
flat angles P-C4'-P energy: -49.319
tors. eta vs tors. theta energy: -89.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 178
Temperature: 1.200000
Total energy: -905.128896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -905.128896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -905.128896 (E_RNA)
where:
Base-Base interactions energy: -587.111
where: short stacking energy: -250.482
Base-Backbone interact. energy: -2.582
local terms energy: -315.435799
where:
bonds (distance) C4'-P energy: -62.031
bonds (distance) P-C4' energy: -66.685
flat angles C4'-P-C4' energy: -72.214
flat angles P-C4'-P energy: -49.671
tors. eta vs tors. theta energy: -64.835
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: 8, replica: 1
=====================================
Write number: 178
Temperature: 1.250000
Total energy: -869.393866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -869.393866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -869.393866 (E_RNA)
where:
Base-Base interactions energy: -570.653
where: short stacking energy: -252.908
Base-Backbone interact. energy: -1.154
local terms energy: -297.587039
where:
bonds (distance) C4'-P energy: -62.889
bonds (distance) P-C4' energy: -56.677
flat angles C4'-P-C4' energy: -64.004
flat angles P-C4'-P energy: -44.252
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: 9, replica: 4
=====================================
Write number: 178
Temperature: 1.300000
Total energy: -459.619170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.619170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.619170 (E_RNA)
where:
Base-Base interactions energy: -224.560
where: short stacking energy: -148.285
Base-Backbone interact. energy: 0.060
local terms energy: -235.119235
where:
bonds (distance) C4'-P energy: -54.031
bonds (distance) P-C4' energy: -71.529
flat angles C4'-P-C4' energy: -60.925
flat angles P-C4'-P energy: -31.684
tors. eta vs tors. theta energy: -16.950
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: 10
=====================================
Write number: 178
Temperature: 1.350000
Total energy: -459.286691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.286691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.286691 (E_RNA)
where:
Base-Base interactions energy: -254.426
where: short stacking energy: -131.705
Base-Backbone interact. energy: -0.920
local terms energy: -203.940705
where:
bonds (distance) C4'-P energy: -43.365
bonds (distance) P-C4' energy: -60.906
flat angles C4'-P-C4' energy: -58.276
flat angles P-C4'-P energy: -43.809
tors. eta vs tors. theta energy: 2.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 179
Temperature: 0.900000
Total energy: -1355.749671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1355.749671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1355.749671 (E_RNA)
where:
Base-Base interactions energy: -926.227
where: short stacking energy: -402.454
Base-Backbone interact. energy: -1.237
local terms energy: -428.285080
where:
bonds (distance) C4'-P energy: -81.903
bonds (distance) P-C4' energy: -72.557
flat angles C4'-P-C4' energy: -90.998
flat angles P-C4'-P energy: -66.435
tors. eta vs tors. theta energy: -116.392
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: 5
=====================================
Write number: 179
Temperature: 0.950000
Total energy: -1338.485616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1338.485616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1338.485616 (E_RNA)
where:
Base-Base interactions energy: -930.714
where: short stacking energy: -384.680
Base-Backbone interact. energy: -0.384
local terms energy: -407.386957
where:
bonds (distance) C4'-P energy: -71.391
bonds (distance) P-C4' energy: -77.266
flat angles C4'-P-C4' energy: -84.964
flat angles P-C4'-P energy: -65.462
tors. eta vs tors. theta energy: -108.304
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: 6
=====================================
Write number: 179
Temperature: 1.000000
Total energy: -1226.936936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1226.936936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1226.936936 (E_RNA)
where:
Base-Base interactions energy: -879.384
where: short stacking energy: -352.430
Base-Backbone interact. energy: -0.583
local terms energy: -346.969557
where:
bonds (distance) C4'-P energy: -72.706
bonds (distance) P-C4' energy: -68.518
flat angles C4'-P-C4' energy: -80.485
flat angles P-C4'-P energy: -42.747
tors. eta vs tors. theta energy: -82.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 179
Temperature: 1.050000
Total energy: -1152.937602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1152.937602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1152.937602 (E_RNA)
where:
Base-Base interactions energy: -800.058
where: short stacking energy: -316.277
Base-Backbone interact. energy: -2.155
local terms energy: -350.724686
where:
bonds (distance) C4'-P energy: -74.127
bonds (distance) P-C4' energy: -67.371
flat angles C4'-P-C4' energy: -78.320
flat angles P-C4'-P energy: -51.200
tors. eta vs tors. theta energy: -79.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 179
Temperature: 1.100000
Total energy: -1077.329863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1077.329863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1077.329863 (E_RNA)
where:
Base-Base interactions energy: -750.400
where: short stacking energy: -300.114
Base-Backbone interact. energy: -0.543
local terms energy: -326.386823
where:
bonds (distance) C4'-P energy: -62.116
bonds (distance) P-C4' energy: -76.871
flat angles C4'-P-C4' energy: -72.464
flat angles P-C4'-P energy: -34.750
tors. eta vs tors. theta energy: -80.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 179
Temperature: 1.150000
Total energy: -972.660576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -972.660576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -972.660576 (E_RNA)
where:
Base-Base interactions energy: -655.335
where: short stacking energy: -280.248
Base-Backbone interact. energy: 1.772
local terms energy: -319.097154
where:
bonds (distance) C4'-P energy: -67.811
bonds (distance) P-C4' energy: -66.257
flat angles C4'-P-C4' energy: -72.974
flat angles P-C4'-P energy: -42.191
tors. eta vs tors. theta energy: -69.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 179
Temperature: 1.200000
Total energy: -899.125809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -899.125809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -899.125809 (E_RNA)
where:
Base-Base interactions energy: -586.379
where: short stacking energy: -235.945
Base-Backbone interact. energy: -0.879
local terms energy: -311.868231
where:
bonds (distance) C4'-P energy: -71.147
bonds (distance) P-C4' energy: -66.137
flat angles C4'-P-C4' energy: -70.043
flat angles P-C4'-P energy: -48.498
tors. eta vs tors. theta energy: -56.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 179
Temperature: 1.250000
Total energy: -862.630257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -862.630257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -862.630257 (E_RNA)
where:
Base-Base interactions energy: -566.038
where: short stacking energy: -270.784
Base-Backbone interact. energy: 0.486
local terms energy: -297.077668
where:
bonds (distance) C4'-P energy: -64.494
bonds (distance) P-C4' energy: -65.670
flat angles C4'-P-C4' energy: -58.287
flat angles P-C4'-P energy: -41.374
tors. eta vs tors. theta energy: -67.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 179
Temperature: 1.300000
Total energy: -482.875252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.875252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.875252 (E_RNA)
where:
Base-Base interactions energy: -249.949
where: short stacking energy: -139.604
Base-Backbone interact. energy: 2.517
local terms energy: -235.443718
where:
bonds (distance) C4'-P energy: -60.777
bonds (distance) P-C4' energy: -65.489
flat angles C4'-P-C4' energy: -37.746
flat angles P-C4'-P energy: -39.691
tors. eta vs tors. theta energy: -31.741
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: 10, replica: 10
=====================================
Write number: 179
Temperature: 1.350000
Total energy: -454.083588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.083588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.083588 (E_RNA)
where:
Base-Base interactions energy: -241.455
where: short stacking energy: -129.294
Base-Backbone interact. energy: 0.908
local terms energy: -214.628132
where:
bonds (distance) C4'-P energy: -74.830
bonds (distance) P-C4' energy: -58.875
flat angles C4'-P-C4' energy: -43.906
flat angles P-C4'-P energy: -30.751
tors. eta vs tors. theta energy: -6.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.092 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 180
Temperature: 0.900000
Total energy: -1336.391016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1336.391016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1336.391016 (E_RNA)
where:
Base-Base interactions energy: -933.269
where: short stacking energy: -405.363
Base-Backbone interact. energy: -2.288
local terms energy: -400.833637
where:
bonds (distance) C4'-P energy: -77.013
bonds (distance) P-C4' energy: -71.777
flat angles C4'-P-C4' energy: -81.705
flat angles P-C4'-P energy: -56.140
tors. eta vs tors. theta energy: -114.198
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: 180
Temperature: 0.950000
Total energy: -1341.218993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1341.218993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1341.218993 (E_RNA)
where:
Base-Base interactions energy: -925.653
where: short stacking energy: -370.430
Base-Backbone interact. energy: -0.952
local terms energy: -414.613860
where:
bonds (distance) C4'-P energy: -83.740
bonds (distance) P-C4' energy: -85.861
flat angles C4'-P-C4' energy: -87.238
flat angles P-C4'-P energy: -56.655
tors. eta vs tors. theta energy: -101.119
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: 6
=====================================
Write number: 180
Temperature: 1.000000
Total energy: -1235.106727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1235.106727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1235.106727 (E_RNA)
where:
Base-Base interactions energy: -875.498
where: short stacking energy: -349.765
Base-Backbone interact. energy: -0.024
local terms energy: -359.584037
where:
bonds (distance) C4'-P energy: -61.436
bonds (distance) P-C4' energy: -67.724
flat angles C4'-P-C4' energy: -80.882
flat angles P-C4'-P energy: -57.265
tors. eta vs tors. theta energy: -92.277
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: 2
=====================================
Write number: 180
Temperature: 1.050000
Total energy: -1168.195634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1168.195634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1168.195634 (E_RNA)
where:
Base-Base interactions energy: -819.050
where: short stacking energy: -343.269
Base-Backbone interact. energy: 0.000
local terms energy: -349.145617
where:
bonds (distance) C4'-P energy: -69.152
bonds (distance) P-C4' energy: -64.609
flat angles C4'-P-C4' energy: -76.362
flat angles P-C4'-P energy: -50.938
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: 5, replica: 8
=====================================
Write number: 180
Temperature: 1.100000
Total energy: -1063.443667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1063.443667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1063.443667 (E_RNA)
where:
Base-Base interactions energy: -714.430
where: short stacking energy: -313.591
Base-Backbone interact. energy: 2.807
local terms energy: -351.820979
where:
bonds (distance) C4'-P energy: -71.615
bonds (distance) P-C4' energy: -65.134
flat angles C4'-P-C4' energy: -80.109
flat angles P-C4'-P energy: -53.489
tors. eta vs tors. theta energy: -81.474
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: 6, replica: 7
=====================================
Write number: 180
Temperature: 1.150000
Total energy: -997.076543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -997.076543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -997.076543 (E_RNA)
where:
Base-Base interactions energy: -685.425
where: short stacking energy: -293.305
Base-Backbone interact. energy: -1.231
local terms energy: -310.420466
where:
bonds (distance) C4'-P energy: -59.285
bonds (distance) P-C4' energy: -72.857
flat angles C4'-P-C4' energy: -75.511
flat angles P-C4'-P energy: -38.339
tors. eta vs tors. theta energy: -64.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 180
Temperature: 1.200000
Total energy: -873.189310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -873.189310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -873.189310 (E_RNA)
where:
Base-Base interactions energy: -570.064
where: short stacking energy: -243.945
Base-Backbone interact. energy: 0.452
local terms energy: -303.578105
where:
bonds (distance) C4'-P energy: -61.483
bonds (distance) P-C4' energy: -67.335
flat angles C4'-P-C4' energy: -75.885
flat angles P-C4'-P energy: -26.316
tors. eta vs tors. theta energy: -72.560
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: 8, replica: 9
=====================================
Write number: 180
Temperature: 1.250000
Total energy: -868.530548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -868.530548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -868.530548 (E_RNA)
where:
Base-Base interactions energy: -574.607
where: short stacking energy: -252.202
Base-Backbone interact. energy: -1.717
local terms energy: -292.205614
where:
bonds (distance) C4'-P energy: -57.988
bonds (distance) P-C4' energy: -60.325
flat angles C4'-P-C4' energy: -66.991
flat angles P-C4'-P energy: -46.114
tors. eta vs tors. theta energy: -60.787
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: 10
=====================================
Write number: 180
Temperature: 1.300000
Total energy: -526.337075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.337075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.337075 (E_RNA)
where:
Base-Base interactions energy: -257.343
where: short stacking energy: -141.827
Base-Backbone interact. energy: 2.364
local terms energy: -271.357556
where:
bonds (distance) C4'-P energy: -76.495
bonds (distance) P-C4' energy: -65.171
flat angles C4'-P-C4' energy: -71.020
flat angles P-C4'-P energy: -37.267
tors. eta vs tors. theta energy: -21.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 180
Temperature: 1.350000
Total energy: -439.279151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.279151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.279151 (E_RNA)
where:
Base-Base interactions energy: -236.296
where: short stacking energy: -125.288
Base-Backbone interact. energy: 2.284
local terms energy: -205.267165
where:
bonds (distance) C4'-P energy: -50.542
bonds (distance) P-C4' energy: -58.261
flat angles C4'-P-C4' energy: -50.269
flat angles P-C4'-P energy: -41.774
tors. eta vs tors. theta energy: -4.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 181
Temperature: 0.900000
Total energy: -1367.155167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1367.155167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1367.155167 (E_RNA)
where:
Base-Base interactions energy: -953.512
where: short stacking energy: -392.454
Base-Backbone interact. energy: -1.899
local terms energy: -411.744674
where:
bonds (distance) C4'-P energy: -79.687
bonds (distance) P-C4' energy: -74.390
flat angles C4'-P-C4' energy: -82.651
flat angles P-C4'-P energy: -58.235
tors. eta vs tors. theta energy: -116.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 181
Temperature: 0.950000
Total energy: -1338.385853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1338.385853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1338.385853 (E_RNA)
where:
Base-Base interactions energy: -941.102
where: short stacking energy: -383.713
Base-Backbone interact. energy: 0.327
local terms energy: -397.611031
where:
bonds (distance) C4'-P energy: -76.019
bonds (distance) P-C4' energy: -78.222
flat angles C4'-P-C4' energy: -84.234
flat angles P-C4'-P energy: -48.761
tors. eta vs tors. theta energy: -110.376
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: 3, replica: 6
=====================================
Write number: 181
Temperature: 1.000000
Total energy: -1262.115098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1262.115098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1262.115098 (E_RNA)
where:
Base-Base interactions energy: -891.844
where: short stacking energy: -352.811
Base-Backbone interact. energy: -0.215
local terms energy: -370.056099
where:
bonds (distance) C4'-P energy: -69.393
bonds (distance) P-C4' energy: -77.505
flat angles C4'-P-C4' energy: -78.868
flat angles P-C4'-P energy: -44.248
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: 2
=====================================
Write number: 181
Temperature: 1.050000
Total energy: -1153.862605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1153.862605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1153.862605 (E_RNA)
where:
Base-Base interactions energy: -815.570
where: short stacking energy: -324.908
Base-Backbone interact. energy: -2.539
local terms energy: -335.754360
where:
bonds (distance) C4'-P energy: -69.071
bonds (distance) P-C4' energy: -65.533
flat angles C4'-P-C4' energy: -71.687
flat angles P-C4'-P energy: -45.343
tors. eta vs tors. theta energy: -84.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 181
Temperature: 1.100000
Total energy: -1056.376312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1056.376312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1056.376312 (E_RNA)
where:
Base-Base interactions energy: -704.839
where: short stacking energy: -323.466
Base-Backbone interact. energy: -2.026
local terms energy: -349.511841
where:
bonds (distance) C4'-P energy: -65.264
bonds (distance) P-C4' energy: -56.074
flat angles C4'-P-C4' energy: -74.842
flat angles P-C4'-P energy: -58.390
tors. eta vs tors. theta energy: -94.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 181
Temperature: 1.150000
Total energy: -1027.782564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1027.782564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1027.782564 (E_RNA)
where:
Base-Base interactions energy: -698.734
where: short stacking energy: -295.300
Base-Backbone interact. energy: -3.918
local terms energy: -326.533456
where:
bonds (distance) C4'-P energy: -56.083
bonds (distance) P-C4' energy: -74.985
flat angles C4'-P-C4' energy: -73.740
flat angles P-C4'-P energy: -44.595
tors. eta vs tors. theta energy: -77.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.403 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 181
Temperature: 1.200000
Total energy: -885.801819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -885.801819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -885.801819 (E_RNA)
where:
Base-Base interactions energy: -582.945
where: short stacking energy: -254.214
Base-Backbone interact. energy: -1.690
local terms energy: -301.166460
where:
bonds (distance) C4'-P energy: -66.958
bonds (distance) P-C4' energy: -56.079
flat angles C4'-P-C4' energy: -72.753
flat angles P-C4'-P energy: -35.674
tors. eta vs tors. theta energy: -69.703
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: 8, replica: 9
=====================================
Write number: 181
Temperature: 1.250000
Total energy: -836.621518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -836.621518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -836.621518 (E_RNA)
where:
Base-Base interactions energy: -567.262
where: short stacking energy: -254.388
Base-Backbone interact. energy: -2.131
local terms energy: -267.228077
where:
bonds (distance) C4'-P energy: -65.862
bonds (distance) P-C4' energy: -65.855
flat angles C4'-P-C4' energy: -55.073
flat angles P-C4'-P energy: -30.084
tors. eta vs tors. theta energy: -50.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 181
Temperature: 1.300000
Total energy: -578.171520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -578.171520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -578.171520 (E_RNA)
where:
Base-Base interactions energy: -337.193
where: short stacking energy: -182.744
Base-Backbone interact. energy: -2.369
local terms energy: -238.609807
where:
bonds (distance) C4'-P energy: -50.607
bonds (distance) P-C4' energy: -65.332
flat angles C4'-P-C4' energy: -50.053
flat angles P-C4'-P energy: -34.271
tors. eta vs tors. theta energy: -38.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 181
Temperature: 1.350000
Total energy: -425.009615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.009615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.009615 (E_RNA)
where:
Base-Base interactions energy: -209.400
where: short stacking energy: -126.263
Base-Backbone interact. energy: 1.842
local terms energy: -217.451871
where:
bonds (distance) C4'-P energy: -61.090
bonds (distance) P-C4' energy: -70.795
flat angles C4'-P-C4' energy: -51.308
flat angles P-C4'-P energy: -36.185
tors. eta vs tors. theta energy: 1.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 182
Temperature: 0.900000
Total energy: -1380.604678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1380.604678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1380.604678 (E_RNA)
where:
Base-Base interactions energy: -958.519
where: short stacking energy: -400.055
Base-Backbone interact. energy: -1.590
local terms energy: -420.494963
where:
bonds (distance) C4'-P energy: -76.222
bonds (distance) P-C4' energy: -75.266
flat angles C4'-P-C4' energy: -91.010
flat angles P-C4'-P energy: -59.878
tors. eta vs tors. theta energy: -118.119
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: 2, replica: 5
=====================================
Write number: 182
Temperature: 0.950000
Total energy: -1312.587717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1312.587717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1312.587717 (E_RNA)
where:
Base-Base interactions energy: -922.015
where: short stacking energy: -363.654
Base-Backbone interact. energy: -4.156
local terms energy: -386.416271
where:
bonds (distance) C4'-P energy: -75.021
bonds (distance) P-C4' energy: -75.814
flat angles C4'-P-C4' energy: -81.086
flat angles P-C4'-P energy: -55.576
tors. eta vs tors. theta energy: -98.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 182
Temperature: 1.000000
Total energy: -1273.868562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1273.868562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1273.868562 (E_RNA)
where:
Base-Base interactions energy: -916.213
where: short stacking energy: -355.187
Base-Backbone interact. energy: -1.647
local terms energy: -356.008519
where:
bonds (distance) C4'-P energy: -69.914
bonds (distance) P-C4' energy: -74.021
flat angles C4'-P-C4' energy: -73.036
flat angles P-C4'-P energy: -49.059
tors. eta vs tors. theta energy: -89.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 182
Temperature: 1.050000
Total energy: -1142.312246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1142.312246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1142.312246 (E_RNA)
where:
Base-Base interactions energy: -781.507
where: short stacking energy: -317.375
Base-Backbone interact. energy: -3.084
local terms energy: -357.721310
where:
bonds (distance) C4'-P energy: -76.676
bonds (distance) P-C4' energy: -66.891
flat angles C4'-P-C4' energy: -67.834
flat angles P-C4'-P energy: -62.096
tors. eta vs tors. theta energy: -84.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 182
Temperature: 1.100000
Total energy: -1057.481347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1057.481347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1057.481347 (E_RNA)
where:
Base-Base interactions energy: -712.561
where: short stacking energy: -304.689
Base-Backbone interact. energy: -2.535
local terms energy: -344.496790
where:
bonds (distance) C4'-P energy: -68.113
bonds (distance) P-C4' energy: -61.758
flat angles C4'-P-C4' energy: -75.113
flat angles P-C4'-P energy: -54.425
tors. eta vs tors. theta energy: -85.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 2.112 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 182
Temperature: 1.150000
Total energy: -1035.223244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1035.223244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1035.223244 (E_RNA)
where:
Base-Base interactions energy: -707.909
where: short stacking energy: -313.456
Base-Backbone interact. energy: -1.829
local terms energy: -325.485610
where:
bonds (distance) C4'-P energy: -54.901
bonds (distance) P-C4' energy: -59.163
flat angles C4'-P-C4' energy: -71.396
flat angles P-C4'-P energy: -53.126
tors. eta vs tors. theta energy: -86.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 182
Temperature: 1.200000
Total energy: -874.802628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -874.802628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -874.802628 (E_RNA)
where:
Base-Base interactions energy: -595.205
where: short stacking energy: -250.166
Base-Backbone interact. energy: 1.267
local terms energy: -280.864190
where:
bonds (distance) C4'-P energy: -56.815
bonds (distance) P-C4' energy: -72.606
flat angles C4'-P-C4' energy: -58.215
flat angles P-C4'-P energy: -40.490
tors. eta vs tors. theta energy: -52.737
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: 8, replica: 9
=====================================
Write number: 182
Temperature: 1.250000
Total energy: -796.947241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -796.947241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -796.947241 (E_RNA)
where:
Base-Base interactions energy: -522.848
where: short stacking energy: -241.933
Base-Backbone interact. energy: -2.416
local terms energy: -271.682894
where:
bonds (distance) C4'-P energy: -48.197
bonds (distance) P-C4' energy: -57.164
flat angles C4'-P-C4' energy: -72.768
flat angles P-C4'-P energy: -46.092
tors. eta vs tors. theta energy: -47.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 182
Temperature: 1.300000
Total energy: -638.410782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -638.410782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -638.410782 (E_RNA)
where:
Base-Base interactions energy: -388.526
where: short stacking energy: -184.336
Base-Backbone interact. energy: 1.053
local terms energy: -250.937400
where:
bonds (distance) C4'-P energy: -60.698
bonds (distance) P-C4' energy: -63.280
flat angles C4'-P-C4' energy: -52.956
flat angles P-C4'-P energy: -44.400
tors. eta vs tors. theta energy: -29.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 182
Temperature: 1.350000
Total energy: -427.617442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.617442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.617442 (E_RNA)
where:
Base-Base interactions energy: -199.805
where: short stacking energy: -107.082
Base-Backbone interact. energy: -2.094
local terms energy: -225.717731
where:
bonds (distance) C4'-P energy: -69.030
bonds (distance) P-C4' energy: -74.084
flat angles C4'-P-C4' energy: -65.896
flat angles P-C4'-P energy: -31.575
tors. eta vs tors. theta energy: 14.868
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: 3
=====================================
Write number: 183
Temperature: 0.900000
Total energy: -1395.000932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1395.000932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1395.000932 (E_RNA)
where:
Base-Base interactions energy: -970.553
where: short stacking energy: -411.942
Base-Backbone interact. energy: -3.739
local terms energy: -420.709089
where:
bonds (distance) C4'-P energy: -74.995
bonds (distance) P-C4' energy: -78.811
flat angles C4'-P-C4' energy: -82.125
flat angles P-C4'-P energy: -64.475
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: 6
=====================================
Write number: 183
Temperature: 0.950000
Total energy: -1300.084820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1300.084820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1300.084820 (E_RNA)
where:
Base-Base interactions energy: -911.104
where: short stacking energy: -366.932
Base-Backbone interact. energy: -3.631
local terms energy: -385.349838
where:
bonds (distance) C4'-P energy: -77.844
bonds (distance) P-C4' energy: -71.472
flat angles C4'-P-C4' energy: -85.395
flat angles P-C4'-P energy: -55.746
tors. eta vs tors. theta energy: -94.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 183
Temperature: 1.000000
Total energy: -1314.842801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1314.842801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1314.842801 (E_RNA)
where:
Base-Base interactions energy: -918.005
where: short stacking energy: -388.510
Base-Backbone interact. energy: -0.708
local terms energy: -396.129719
where:
bonds (distance) C4'-P energy: -70.433
bonds (distance) P-C4' energy: -70.071
flat angles C4'-P-C4' energy: -89.965
flat angles P-C4'-P energy: -57.523
tors. eta vs tors. theta energy: -108.138
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: 2
=====================================
Write number: 183
Temperature: 1.050000
Total energy: -1118.914325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1118.914325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1118.914325 (E_RNA)
where:
Base-Base interactions energy: -758.491
where: short stacking energy: -332.474
Base-Backbone interact. energy: -2.194
local terms energy: -358.229252
where:
bonds (distance) C4'-P energy: -66.801
bonds (distance) P-C4' energy: -72.885
flat angles C4'-P-C4' energy: -72.334
flat angles P-C4'-P energy: -50.513
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: 5, replica: 7
=====================================
Write number: 183
Temperature: 1.100000
Total energy: -1064.819600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1064.819600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1064.819600 (E_RNA)
where:
Base-Base interactions energy: -728.412
where: short stacking energy: -313.326
Base-Backbone interact. energy: -2.329
local terms energy: -334.078311
where:
bonds (distance) C4'-P energy: -66.401
bonds (distance) P-C4' energy: -67.748
flat angles C4'-P-C4' energy: -72.045
flat angles P-C4'-P energy: -52.091
tors. eta vs tors. theta energy: -75.794
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: 8
=====================================
Write number: 183
Temperature: 1.150000
Total energy: -1036.911929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1036.911929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1036.911929 (E_RNA)
where:
Base-Base interactions energy: -710.142
where: short stacking energy: -289.622
Base-Backbone interact. energy: -1.184
local terms energy: -325.833758
where:
bonds (distance) C4'-P energy: -66.040
bonds (distance) P-C4' energy: -69.332
flat angles C4'-P-C4' energy: -72.635
flat angles P-C4'-P energy: -35.269
tors. eta vs tors. theta energy: -82.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.248 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 183
Temperature: 1.200000
Total energy: -935.483850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -935.483850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -935.483850 (E_RNA)
where:
Base-Base interactions energy: -628.337
where: short stacking energy: -277.977
Base-Backbone interact. energy: -2.452
local terms energy: -304.695064
where:
bonds (distance) C4'-P energy: -64.583
bonds (distance) P-C4' energy: -69.040
flat angles C4'-P-C4' energy: -71.606
flat angles P-C4'-P energy: -38.925
tors. eta vs tors. theta energy: -60.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 183
Temperature: 1.250000
Total energy: -875.508702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -875.508702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -875.508702 (E_RNA)
where:
Base-Base interactions energy: -583.236
where: short stacking energy: -245.092
Base-Backbone interact. energy: -1.789
local terms energy: -290.484447
where:
bonds (distance) C4'-P energy: -67.884
bonds (distance) P-C4' energy: -78.326
flat angles C4'-P-C4' energy: -57.219
flat angles P-C4'-P energy: -39.012
tors. eta vs tors. theta energy: -48.044
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: 9, replica: 10
=====================================
Write number: 183
Temperature: 1.300000
Total energy: -627.997269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -627.997269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -627.997269 (E_RNA)
where:
Base-Base interactions energy: -382.041
where: short stacking energy: -181.198
Base-Backbone interact. energy: -1.221
local terms energy: -244.734282
where:
bonds (distance) C4'-P energy: -58.155
bonds (distance) P-C4' energy: -56.751
flat angles C4'-P-C4' energy: -59.337
flat angles P-C4'-P energy: -40.403
tors. eta vs tors. theta energy: -30.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 183
Temperature: 1.350000
Total energy: -481.321664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.321664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.321664 (E_RNA)
where:
Base-Base interactions energy: -269.841
where: short stacking energy: -144.828
Base-Backbone interact. energy: -0.572
local terms energy: -210.909070
where:
bonds (distance) C4'-P energy: -67.819
bonds (distance) P-C4' energy: -60.489
flat angles C4'-P-C4' energy: -45.265
flat angles P-C4'-P energy: -25.840
tors. eta vs tors. theta energy: -11.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 184
Temperature: 0.900000
Total energy: -1353.476200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1353.476200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1353.476200 (E_RNA)
where:
Base-Base interactions energy: -951.249
where: short stacking energy: -398.558
Base-Backbone interact. energy: 3.109
local terms energy: -405.335590
where:
bonds (distance) C4'-P energy: -73.671
bonds (distance) P-C4' energy: -85.490
flat angles C4'-P-C4' energy: -79.995
flat angles P-C4'-P energy: -59.700
tors. eta vs tors. theta energy: -106.480
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: 6
=====================================
Write number: 184
Temperature: 0.950000
Total energy: -1292.354831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1292.354831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1292.354831 (E_RNA)
where:
Base-Base interactions energy: -902.827
where: short stacking energy: -359.762
Base-Backbone interact. energy: -0.238
local terms energy: -389.290011
where:
bonds (distance) C4'-P energy: -76.348
bonds (distance) P-C4' energy: -83.174
flat angles C4'-P-C4' energy: -83.840
flat angles P-C4'-P energy: -55.482
tors. eta vs tors. theta energy: -90.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 184
Temperature: 1.000000
Total energy: -1328.481274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1328.481274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1328.481274 (E_RNA)
where:
Base-Base interactions energy: -925.839
where: short stacking energy: -374.876
Base-Backbone interact. energy: 1.585
local terms energy: -404.226796
where:
bonds (distance) C4'-P energy: -82.138
bonds (distance) P-C4' energy: -77.245
flat angles C4'-P-C4' energy: -78.699
flat angles P-C4'-P energy: -58.226
tors. eta vs tors. theta energy: -107.918
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: 2
=====================================
Write number: 184
Temperature: 1.050000
Total energy: -1137.602304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1137.602304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1137.602304 (E_RNA)
where:
Base-Base interactions energy: -793.966
where: short stacking energy: -339.215
Base-Backbone interact. energy: -0.522
local terms energy: -343.114158
where:
bonds (distance) C4'-P energy: -70.595
bonds (distance) P-C4' energy: -68.391
flat angles C4'-P-C4' energy: -76.029
flat angles P-C4'-P energy: -42.402
tors. eta vs tors. theta energy: -85.697
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: 7
=====================================
Write number: 184
Temperature: 1.100000
Total energy: -1119.291977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1119.291977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1119.291977 (E_RNA)
where:
Base-Base interactions energy: -737.879
where: short stacking energy: -321.818
Base-Backbone interact. energy: -0.870
local terms energy: -380.542286
where:
bonds (distance) C4'-P energy: -64.102
bonds (distance) P-C4' energy: -83.334
flat angles C4'-P-C4' energy: -83.118
flat angles P-C4'-P energy: -51.503
tors. eta vs tors. theta energy: -98.486
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: 8
=====================================
Write number: 184
Temperature: 1.150000
Total energy: -1034.290167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1034.290167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1034.290167 (E_RNA)
where:
Base-Base interactions energy: -697.409
where: short stacking energy: -331.427
Base-Backbone interact. energy: -1.840
local terms energy: -335.041404
where:
bonds (distance) C4'-P energy: -55.133
bonds (distance) P-C4' energy: -67.942
flat angles C4'-P-C4' energy: -74.746
flat angles P-C4'-P energy: -45.606
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: 7, replica: 9
=====================================
Write number: 184
Temperature: 1.200000
Total energy: -933.982658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -933.982658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -933.982658 (E_RNA)
where:
Base-Base interactions energy: -601.860
where: short stacking energy: -261.833
Base-Backbone interact. energy: 0.070
local terms energy: -332.192315
where:
bonds (distance) C4'-P energy: -64.995
bonds (distance) P-C4' energy: -60.880
flat angles C4'-P-C4' energy: -72.454
flat angles P-C4'-P energy: -59.560
tors. eta vs tors. theta energy: -74.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 184
Temperature: 1.250000
Total energy: -858.797242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -858.797242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -858.797242 (E_RNA)
where:
Base-Base interactions energy: -573.822
where: short stacking energy: -265.343
Base-Backbone interact. energy: -2.404
local terms energy: -282.571656
where:
bonds (distance) C4'-P energy: -49.687
bonds (distance) P-C4' energy: -81.613
flat angles C4'-P-C4' energy: -63.632
flat angles P-C4'-P energy: -30.195
tors. eta vs tors. theta energy: -57.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 184
Temperature: 1.300000
Total energy: -661.408931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -661.408931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -661.408931 (E_RNA)
where:
Base-Base interactions energy: -396.365
where: short stacking energy: -193.478
Base-Backbone interact. energy: -0.632
local terms energy: -264.412005
where:
bonds (distance) C4'-P energy: -63.570
bonds (distance) P-C4' energy: -74.245
flat angles C4'-P-C4' energy: -57.063
flat angles P-C4'-P energy: -37.471
tors. eta vs tors. theta energy: -32.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 184
Temperature: 1.350000
Total energy: -457.569198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.569198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.569198 (E_RNA)
where:
Base-Base interactions energy: -235.633
where: short stacking energy: -142.059
Base-Backbone interact. energy: -0.192
local terms energy: -221.744216
where:
bonds (distance) C4'-P energy: -37.161
bonds (distance) P-C4' energy: -74.886
flat angles C4'-P-C4' energy: -47.892
flat angles P-C4'-P energy: -40.306
tors. eta vs tors. theta energy: -21.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 185
Temperature: 0.900000
Total energy: -1370.189307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1370.189307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1370.189307 (E_RNA)
where:
Base-Base interactions energy: -958.424
where: short stacking energy: -413.218
Base-Backbone interact. energy: 4.319
local terms energy: -416.083637
where:
bonds (distance) C4'-P energy: -80.173
bonds (distance) P-C4' energy: -70.898
flat angles C4'-P-C4' energy: -88.860
flat angles P-C4'-P energy: -57.242
tors. eta vs tors. theta energy: -118.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 185
Temperature: 0.950000
Total energy: -1378.446594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1378.446594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1378.446594 (E_RNA)
where:
Base-Base interactions energy: -964.190
where: short stacking energy: -391.387
Base-Backbone interact. energy: -1.415
local terms energy: -412.841167
where:
bonds (distance) C4'-P energy: -72.357
bonds (distance) P-C4' energy: -76.963
flat angles C4'-P-C4' energy: -81.296
flat angles P-C4'-P energy: -60.349
tors. eta vs tors. theta energy: -121.876
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: 6
=====================================
Write number: 185
Temperature: 1.000000
Total energy: -1235.886647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1235.886647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1235.886647 (E_RNA)
where:
Base-Base interactions energy: -869.236
where: short stacking energy: -326.691
Base-Backbone interact. energy: -1.285
local terms energy: -365.365501
where:
bonds (distance) C4'-P energy: -68.035
bonds (distance) P-C4' energy: -69.387
flat angles C4'-P-C4' energy: -84.457
flat angles P-C4'-P energy: -57.511
tors. eta vs tors. theta energy: -85.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 185
Temperature: 1.050000
Total energy: -1124.569405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1124.569405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1124.569405 (E_RNA)
where:
Base-Base interactions energy: -787.186
where: short stacking energy: -356.689
Base-Backbone interact. energy: -1.291
local terms energy: -336.092691
where:
bonds (distance) C4'-P energy: -60.039
bonds (distance) P-C4' energy: -62.443
flat angles C4'-P-C4' energy: -80.870
flat angles P-C4'-P energy: -44.625
tors. eta vs tors. theta energy: -88.116
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: 2
=====================================
Write number: 185
Temperature: 1.100000
Total energy: -1067.964847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1067.964847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1067.964847 (E_RNA)
where:
Base-Base interactions energy: -732.059
where: short stacking energy: -302.699
Base-Backbone interact. energy: -1.867
local terms energy: -334.039097
where:
bonds (distance) C4'-P energy: -52.474
bonds (distance) P-C4' energy: -72.145
flat angles C4'-P-C4' energy: -79.084
flat angles P-C4'-P energy: -46.132
tors. eta vs tors. theta energy: -84.204
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: 6, replica: 8
=====================================
Write number: 185
Temperature: 1.150000
Total energy: -1002.378917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1002.378917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1002.378917 (E_RNA)
where:
Base-Base interactions energy: -677.516
where: short stacking energy: -303.174
Base-Backbone interact. energy: -1.143
local terms energy: -323.720003
where:
bonds (distance) C4'-P energy: -73.839
bonds (distance) P-C4' energy: -60.096
flat angles C4'-P-C4' energy: -69.840
flat angles P-C4'-P energy: -42.846
tors. eta vs tors. theta energy: -77.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 185
Temperature: 1.200000
Total energy: -900.532833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -900.532833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -900.532833 (E_RNA)
where:
Base-Base interactions energy: -591.735
where: short stacking energy: -248.883
Base-Backbone interact. energy: -0.529
local terms energy: -308.269036
where:
bonds (distance) C4'-P energy: -80.183
bonds (distance) P-C4' energy: -64.243
flat angles C4'-P-C4' energy: -69.331
flat angles P-C4'-P energy: -35.131
tors. eta vs tors. theta energy: -59.381
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: 8, replica: 1
=====================================
Write number: 185
Temperature: 1.250000
Total energy: -815.117517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -815.117517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -815.117517 (E_RNA)
where:
Base-Base interactions energy: -539.707
where: short stacking energy: -209.907
Base-Backbone interact. energy: 4.759
local terms energy: -280.168764
where:
bonds (distance) C4'-P energy: -64.766
bonds (distance) P-C4' energy: -71.741
flat angles C4'-P-C4' energy: -60.528
flat angles P-C4'-P energy: -39.260
tors. eta vs tors. theta energy: -43.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 185
Temperature: 1.300000
Total energy: -624.815427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -624.815427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -624.815427 (E_RNA)
where:
Base-Base interactions energy: -367.808
where: short stacking energy: -199.237
Base-Backbone interact. energy: -2.284
local terms energy: -254.723802
where:
bonds (distance) C4'-P energy: -66.833
bonds (distance) P-C4' energy: -52.492
flat angles C4'-P-C4' energy: -59.417
flat angles P-C4'-P energy: -45.721
tors. eta vs tors. theta energy: -30.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 185
Temperature: 1.350000
Total energy: -422.902201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.902201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.902201 (E_RNA)
where:
Base-Base interactions energy: -191.810
where: short stacking energy: -100.326
Base-Backbone interact. energy: 7.799
local terms energy: -238.891731
where:
bonds (distance) C4'-P energy: -63.073
bonds (distance) P-C4' energy: -69.344
flat angles C4'-P-C4' energy: -68.676
flat angles P-C4'-P energy: -37.138
tors. eta vs tors. theta energy: -0.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 186
Temperature: 0.900000
Total energy: -1359.141808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1359.141808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1359.141808 (E_RNA)
where:
Base-Base interactions energy: -921.216
where: short stacking energy: -394.498
Base-Backbone interact. energy: -0.357
local terms energy: -437.569593
where:
bonds (distance) C4'-P energy: -77.483
bonds (distance) P-C4' energy: -87.645
flat angles C4'-P-C4' energy: -85.940
flat angles P-C4'-P energy: -66.444
tors. eta vs tors. theta energy: -120.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 186
Temperature: 0.950000
Total energy: -1382.132913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1382.132913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1382.132913 (E_RNA)
where:
Base-Base interactions energy: -974.048
where: short stacking energy: -404.785
Base-Backbone interact. energy: 0.606
local terms energy: -408.690315
where:
bonds (distance) C4'-P energy: -67.040
bonds (distance) P-C4' energy: -75.321
flat angles C4'-P-C4' energy: -84.497
flat angles P-C4'-P energy: -58.061
tors. eta vs tors. theta energy: -123.772
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: 6
=====================================
Write number: 186
Temperature: 1.000000
Total energy: -1239.883661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1239.883661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1239.883661 (E_RNA)
where:
Base-Base interactions energy: -861.193
where: short stacking energy: -357.733
Base-Backbone interact. energy: -5.386
local terms energy: -373.304283
where:
bonds (distance) C4'-P energy: -74.458
bonds (distance) P-C4' energy: -78.825
flat angles C4'-P-C4' energy: -75.893
flat angles P-C4'-P energy: -48.954
tors. eta vs tors. theta energy: -95.174
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: 7
=====================================
Write number: 186
Temperature: 1.050000
Total energy: -1158.368865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1158.368865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1158.368865 (E_RNA)
where:
Base-Base interactions energy: -789.700
where: short stacking energy: -350.194
Base-Backbone interact. energy: -0.277
local terms energy: -368.392290
where:
bonds (distance) C4'-P energy: -73.600
bonds (distance) P-C4' energy: -70.142
flat angles C4'-P-C4' energy: -77.191
flat angles P-C4'-P energy: -43.736
tors. eta vs tors. theta energy: -103.724
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: 2
=====================================
Write number: 186
Temperature: 1.100000
Total energy: -1093.127787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1093.127787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1093.127787 (E_RNA)
where:
Base-Base interactions energy: -745.197
where: short stacking energy: -320.902
Base-Backbone interact. energy: 1.979
local terms energy: -349.909944
where:
bonds (distance) C4'-P energy: -75.890
bonds (distance) P-C4' energy: -63.208
flat angles C4'-P-C4' energy: -82.279
flat angles P-C4'-P energy: -55.964
tors. eta vs tors. theta energy: -72.570
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: 8
=====================================
Write number: 186
Temperature: 1.150000
Total energy: -956.329471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -956.329471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -956.329471 (E_RNA)
where:
Base-Base interactions energy: -630.014
where: short stacking energy: -286.428
Base-Backbone interact. energy: -2.849
local terms energy: -323.466276
where:
bonds (distance) C4'-P energy: -61.564
bonds (distance) P-C4' energy: -65.919
flat angles C4'-P-C4' energy: -74.987
flat angles P-C4'-P energy: -46.650
tors. eta vs tors. theta energy: -74.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 186
Temperature: 1.200000
Total energy: -893.508857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -893.508857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -893.508857 (E_RNA)
where:
Base-Base interactions energy: -588.516
where: short stacking energy: -270.372
Base-Backbone interact. energy: 0.846
local terms energy: -305.838340
where:
bonds (distance) C4'-P energy: -64.848
bonds (distance) P-C4' energy: -64.381
flat angles C4'-P-C4' energy: -73.780
flat angles P-C4'-P energy: -43.692
tors. eta vs tors. theta energy: -59.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 186
Temperature: 1.250000
Total energy: -815.465003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -815.465003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -815.465003 (E_RNA)
where:
Base-Base interactions energy: -528.591
where: short stacking energy: -237.537
Base-Backbone interact. energy: 2.590
local terms energy: -289.463157
where:
bonds (distance) C4'-P energy: -48.881
bonds (distance) P-C4' energy: -78.404
flat angles C4'-P-C4' energy: -67.948
flat angles P-C4'-P energy: -45.775
tors. eta vs tors. theta energy: -48.456
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: 10
=====================================
Write number: 186
Temperature: 1.300000
Total energy: -599.481379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -599.481379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -599.481379 (E_RNA)
where:
Base-Base interactions energy: -364.305
where: short stacking energy: -180.173
Base-Backbone interact. energy: 1.591
local terms energy: -236.767988
where:
bonds (distance) C4'-P energy: -54.932
bonds (distance) P-C4' energy: -75.664
flat angles C4'-P-C4' energy: -59.567
flat angles P-C4'-P energy: -18.532
tors. eta vs tors. theta energy: -28.074
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: 4
=====================================
Write number: 186
Temperature: 1.350000
Total energy: -457.512103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.512103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.512103 (E_RNA)
where:
Base-Base interactions energy: -239.664
where: short stacking energy: -128.886
Base-Backbone interact. energy: -0.292
local terms energy: -217.556441
where:
bonds (distance) C4'-P energy: -57.433
bonds (distance) P-C4' energy: -68.260
flat angles C4'-P-C4' energy: -56.983
flat angles P-C4'-P energy: -27.712
tors. eta vs tors. theta energy: -7.167
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: 3
=====================================
Write number: 187
Temperature: 0.900000
Total energy: -1380.433772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1380.433772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1380.433772 (E_RNA)
where:
Base-Base interactions energy: -964.335
where: short stacking energy: -401.658
Base-Backbone interact. energy: -1.607
local terms energy: -414.492112
where:
bonds (distance) C4'-P energy: -69.239
bonds (distance) P-C4' energy: -82.022
flat angles C4'-P-C4' energy: -91.597
flat angles P-C4'-P energy: -62.074
tors. eta vs tors. theta energy: -109.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 187
Temperature: 0.950000
Total energy: -1374.966022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1374.966022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1374.966022 (E_RNA)
where:
Base-Base interactions energy: -981.769
where: short stacking energy: -392.321
Base-Backbone interact. energy: -0.503
local terms energy: -392.694815
where:
bonds (distance) C4'-P energy: -78.848
bonds (distance) P-C4' energy: -75.770
flat angles C4'-P-C4' energy: -82.264
flat angles P-C4'-P energy: -42.092
tors. eta vs tors. theta energy: -113.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 187
Temperature: 1.000000
Total energy: -1258.603545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1258.603545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1258.603545 (E_RNA)
where:
Base-Base interactions energy: -895.302
where: short stacking energy: -340.736
Base-Backbone interact. energy: 0.186
local terms energy: -363.487041
where:
bonds (distance) C4'-P energy: -68.341
bonds (distance) P-C4' energy: -71.310
flat angles C4'-P-C4' energy: -79.628
flat angles P-C4'-P energy: -54.964
tors. eta vs tors. theta energy: -89.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 187
Temperature: 1.050000
Total energy: -1142.740780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1142.740780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1142.740780 (E_RNA)
where:
Base-Base interactions energy: -770.987
where: short stacking energy: -344.785
Base-Backbone interact. energy: 2.462
local terms energy: -374.216461
where:
bonds (distance) C4'-P energy: -75.036
bonds (distance) P-C4' energy: -73.386
flat angles C4'-P-C4' energy: -79.029
flat angles P-C4'-P energy: -52.013
tors. eta vs tors. theta energy: -94.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 187
Temperature: 1.100000
Total energy: -1098.587524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1098.587524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1098.587524 (E_RNA)
where:
Base-Base interactions energy: -747.219
where: short stacking energy: -322.353
Base-Backbone interact. energy: 3.376
local terms energy: -354.744240
where:
bonds (distance) C4'-P energy: -63.203
bonds (distance) P-C4' energy: -65.420
flat angles C4'-P-C4' energy: -77.246
flat angles P-C4'-P energy: -54.000
tors. eta vs tors. theta energy: -94.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 187
Temperature: 1.150000
Total energy: -940.389963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -940.389963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -940.389963 (E_RNA)
where:
Base-Base interactions energy: -619.162
where: short stacking energy: -268.901
Base-Backbone interact. energy: -0.258
local terms energy: -320.970175
where:
bonds (distance) C4'-P energy: -68.765
bonds (distance) P-C4' energy: -69.471
flat angles C4'-P-C4' energy: -65.547
flat angles P-C4'-P energy: -47.596
tors. eta vs tors. theta energy: -69.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 187
Temperature: 1.200000
Total energy: -946.863677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -946.863677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -946.863677 (E_RNA)
where:
Base-Base interactions energy: -620.479
where: short stacking energy: -265.234
Base-Backbone interact. energy: 0.784
local terms energy: -327.168752
where:
bonds (distance) C4'-P energy: -69.324
bonds (distance) P-C4' energy: -77.070
flat angles C4'-P-C4' energy: -71.676
flat angles P-C4'-P energy: -40.023
tors. eta vs tors. theta energy: -69.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 187
Temperature: 1.250000
Total energy: -824.370134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -824.370134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -824.370134 (E_RNA)
where:
Base-Base interactions energy: -543.956
where: short stacking energy: -233.425
Base-Backbone interact. energy: 0.972
local terms energy: -281.386214
where:
bonds (distance) C4'-P energy: -58.197
bonds (distance) P-C4' energy: -47.679
flat angles C4'-P-C4' energy: -65.672
flat angles P-C4'-P energy: -51.647
tors. eta vs tors. theta energy: -58.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 187
Temperature: 1.300000
Total energy: -620.626479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -620.626479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -620.626479 (E_RNA)
where:
Base-Base interactions energy: -364.684
where: short stacking energy: -172.865
Base-Backbone interact. energy: 0.160
local terms energy: -256.101940
where:
bonds (distance) C4'-P energy: -61.529
bonds (distance) P-C4' energy: -66.234
flat angles C4'-P-C4' energy: -61.095
flat angles P-C4'-P energy: -38.844
tors. eta vs tors. theta energy: -28.401
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: 10, replica: 4
=====================================
Write number: 187
Temperature: 1.350000
Total energy: -453.940019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.940019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.940019 (E_RNA)
where:
Base-Base interactions energy: -259.519
where: short stacking energy: -153.165
Base-Backbone interact. energy: -2.454
local terms energy: -191.967813
where:
bonds (distance) C4'-P energy: -54.086
bonds (distance) P-C4' energy: -69.710
flat angles C4'-P-C4' energy: -34.372
flat angles P-C4'-P energy: -32.726
tors. eta vs tors. theta energy: -1.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 188
Temperature: 0.900000
Total energy: -1414.568586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1414.568586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1414.568586 (E_RNA)
where:
Base-Base interactions energy: -1014.009
where: short stacking energy: -400.393
Base-Backbone interact. energy: -0.995
local terms energy: -399.565546
where:
bonds (distance) C4'-P energy: -66.568
bonds (distance) P-C4' energy: -82.482
flat angles C4'-P-C4' energy: -82.763
flat angles P-C4'-P energy: -50.591
tors. eta vs tors. theta energy: -117.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 188
Temperature: 0.950000
Total energy: -1326.385886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1326.385886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1326.385886 (E_RNA)
where:
Base-Base interactions energy: -925.404
where: short stacking energy: -373.972
Base-Backbone interact. energy: -2.905
local terms energy: -398.077520
where:
bonds (distance) C4'-P energy: -71.459
bonds (distance) P-C4' energy: -82.431
flat angles C4'-P-C4' energy: -79.052
flat angles P-C4'-P energy: -55.230
tors. eta vs tors. theta energy: -109.906
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: 3, replica: 6
=====================================
Write number: 188
Temperature: 1.000000
Total energy: -1255.257337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1255.257337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1255.257337 (E_RNA)
where:
Base-Base interactions energy: -881.635
where: short stacking energy: -353.591
Base-Backbone interact. energy: 1.038
local terms energy: -374.660289
where:
bonds (distance) C4'-P energy: -80.240
bonds (distance) P-C4' energy: -71.386
flat angles C4'-P-C4' energy: -89.180
flat angles P-C4'-P energy: -50.296
tors. eta vs tors. theta energy: -83.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 188
Temperature: 1.050000
Total energy: -1155.974752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1155.974752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1155.974752 (E_RNA)
where:
Base-Base interactions energy: -789.822
where: short stacking energy: -354.102
Base-Backbone interact. energy: -0.158
local terms energy: -365.994924
where:
bonds (distance) C4'-P energy: -70.495
bonds (distance) P-C4' energy: -66.453
flat angles C4'-P-C4' energy: -82.130
flat angles P-C4'-P energy: -49.940
tors. eta vs tors. theta energy: -96.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 188
Temperature: 1.100000
Total energy: -1018.350337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1018.350337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1018.350337 (E_RNA)
where:
Base-Base interactions energy: -674.527
where: short stacking energy: -282.571
Base-Backbone interact. energy: 0.597
local terms energy: -344.420893
where:
bonds (distance) C4'-P energy: -75.898
bonds (distance) P-C4' energy: -81.893
flat angles C4'-P-C4' energy: -77.681
flat angles P-C4'-P energy: -42.011
tors. eta vs tors. theta energy: -66.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 188
Temperature: 1.150000
Total energy: -936.750511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -936.750511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -936.750511 (E_RNA)
where:
Base-Base interactions energy: -612.230
where: short stacking energy: -282.220
Base-Backbone interact. energy: -1.146
local terms energy: -323.374400
where:
bonds (distance) C4'-P energy: -62.326
bonds (distance) P-C4' energy: -78.729
flat angles C4'-P-C4' energy: -70.959
flat angles P-C4'-P energy: -41.517
tors. eta vs tors. theta energy: -69.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 188
Temperature: 1.200000
Total energy: -919.232394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -919.232394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -919.232394 (E_RNA)
where:
Base-Base interactions energy: -604.336
where: short stacking energy: -278.411
Base-Backbone interact. energy: 0.572
local terms energy: -315.468878
where:
bonds (distance) C4'-P energy: -60.935
bonds (distance) P-C4' energy: -66.781
flat angles C4'-P-C4' energy: -76.810
flat angles P-C4'-P energy: -45.415
tors. eta vs tors. theta energy: -65.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 188
Temperature: 1.250000
Total energy: -858.427929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -858.427929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -858.427929 (E_RNA)
where:
Base-Base interactions energy: -567.289
where: short stacking energy: -256.836
Base-Backbone interact. energy: -1.329
local terms energy: -289.809937
where:
bonds (distance) C4'-P energy: -58.218
bonds (distance) P-C4' energy: -56.593
flat angles C4'-P-C4' energy: -69.139
flat angles P-C4'-P energy: -56.509
tors. eta vs tors. theta energy: -49.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 188
Temperature: 1.300000
Total energy: -633.686747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -633.686747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -633.686747 (E_RNA)
where:
Base-Base interactions energy: -369.857
where: short stacking energy: -187.851
Base-Backbone interact. energy: -1.747
local terms energy: -262.082992
where:
bonds (distance) C4'-P energy: -60.757
bonds (distance) P-C4' energy: -71.501
flat angles C4'-P-C4' energy: -49.582
flat angles P-C4'-P energy: -48.639
tors. eta vs tors. theta energy: -31.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 188
Temperature: 1.350000
Total energy: -430.260647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.260647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.260647 (E_RNA)
where:
Base-Base interactions energy: -207.412
where: short stacking energy: -106.770
Base-Backbone interact. energy: 0.131
local terms energy: -222.979453
where:
bonds (distance) C4'-P energy: -64.986
bonds (distance) P-C4' energy: -60.304
flat angles C4'-P-C4' energy: -64.619
flat angles P-C4'-P energy: -37.837
tors. eta vs tors. theta energy: 4.766
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: 5
=====================================
Write number: 189
Temperature: 0.900000
Total energy: -1406.801965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1406.801965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1406.801965 (E_RNA)
where:
Base-Base interactions energy: -1002.140
where: short stacking energy: -410.303
Base-Backbone interact. energy: 0.299
local terms energy: -404.960999
where:
bonds (distance) C4'-P energy: -65.609
bonds (distance) P-C4' energy: -68.731
flat angles C4'-P-C4' energy: -91.572
flat angles P-C4'-P energy: -56.297
tors. eta vs tors. theta energy: -122.751
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: 189
Temperature: 0.950000
Total energy: -1322.460830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1322.460830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1322.460830 (E_RNA)
where:
Base-Base interactions energy: -913.225
where: short stacking energy: -376.292
Base-Backbone interact. energy: -2.667
local terms energy: -406.569459
where:
bonds (distance) C4'-P energy: -80.013
bonds (distance) P-C4' energy: -75.557
flat angles C4'-P-C4' energy: -82.148
flat angles P-C4'-P energy: -57.083
tors. eta vs tors. theta energy: -111.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 189
Temperature: 1.000000
Total energy: -1260.747021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1260.747021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1260.747021 (E_RNA)
where:
Base-Base interactions energy: -892.084
where: short stacking energy: -350.926
Base-Backbone interact. energy: 1.596
local terms energy: -370.259087
where:
bonds (distance) C4'-P energy: -63.689
bonds (distance) P-C4' energy: -71.702
flat angles C4'-P-C4' energy: -83.013
flat angles P-C4'-P energy: -57.543
tors. eta vs tors. theta energy: -94.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 189
Temperature: 1.050000
Total energy: -1187.694062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1187.694062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1187.694062 (E_RNA)
where:
Base-Base interactions energy: -812.409
where: short stacking energy: -360.571
Base-Backbone interact. energy: 1.281
local terms energy: -376.566233
where:
bonds (distance) C4'-P energy: -71.934
bonds (distance) P-C4' energy: -72.729
flat angles C4'-P-C4' energy: -74.270
flat angles P-C4'-P energy: -51.224
tors. eta vs tors. theta energy: -106.410
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: 2
=====================================
Write number: 189
Temperature: 1.100000
Total energy: -1014.267347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1014.267347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1014.267347 (E_RNA)
where:
Base-Base interactions energy: -664.472
where: short stacking energy: -280.660
Base-Backbone interact. energy: -0.531
local terms energy: -349.264942
where:
bonds (distance) C4'-P energy: -82.889
bonds (distance) P-C4' energy: -74.909
flat angles C4'-P-C4' energy: -77.410
flat angles P-C4'-P energy: -42.020
tors. eta vs tors. theta energy: -72.036
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: 189
Temperature: 1.150000
Total energy: -985.369389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -985.369389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -985.369389 (E_RNA)
where:
Base-Base interactions energy: -654.881
where: short stacking energy: -310.520
Base-Backbone interact. energy: -2.001
local terms energy: -328.487419
where:
bonds (distance) C4'-P energy: -68.806
bonds (distance) P-C4' energy: -55.982
flat angles C4'-P-C4' energy: -80.613
flat angles P-C4'-P energy: -45.361
tors. eta vs tors. theta energy: -77.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 189
Temperature: 1.200000
Total energy: -882.102413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -882.102413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -882.102413 (E_RNA)
where:
Base-Base interactions energy: -580.978
where: short stacking energy: -263.447
Base-Backbone interact. energy: -1.309
local terms energy: -299.815345
where:
bonds (distance) C4'-P energy: -61.275
bonds (distance) P-C4' energy: -78.903
flat angles C4'-P-C4' energy: -60.667
flat angles P-C4'-P energy: -39.285
tors. eta vs tors. theta energy: -59.685
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: 8, replica: 1
=====================================
Write number: 189
Temperature: 1.250000
Total energy: -843.946245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -843.946245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -843.946245 (E_RNA)
where:
Base-Base interactions energy: -554.195
where: short stacking energy: -259.091
Base-Backbone interact. energy: -2.400
local terms energy: -287.351191
where:
bonds (distance) C4'-P energy: -50.497
bonds (distance) P-C4' energy: -65.290
flat angles C4'-P-C4' energy: -69.094
flat angles P-C4'-P energy: -34.827
tors. eta vs tors. theta energy: -67.643
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: 9, replica: 10
=====================================
Write number: 189
Temperature: 1.300000
Total energy: -610.397794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -610.397794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -610.397794 (E_RNA)
where:
Base-Base interactions energy: -364.491
where: short stacking energy: -164.539
Base-Backbone interact. energy: 0.830
local terms energy: -246.736353
where:
bonds (distance) C4'-P energy: -67.135
bonds (distance) P-C4' energy: -67.281
flat angles C4'-P-C4' energy: -58.834
flat angles P-C4'-P energy: -29.322
tors. eta vs tors. theta energy: -24.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 189
Temperature: 1.350000
Total energy: -459.590213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.590213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.590213 (E_RNA)
where:
Base-Base interactions energy: -229.425
where: short stacking energy: -128.673
Base-Backbone interact. energy: 5.313
local terms energy: -235.478147
where:
bonds (distance) C4'-P energy: -57.813
bonds (distance) P-C4' energy: -68.630
flat angles C4'-P-C4' energy: -63.627
flat angles P-C4'-P energy: -35.590
tors. eta vs tors. theta energy: -9.818
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: 190
Temperature: 0.900000
Total energy: -1412.790972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1412.790972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1412.790972 (E_RNA)
where:
Base-Base interactions energy: -1003.115
where: short stacking energy: -419.205
Base-Backbone interact. energy: -1.782
local terms energy: -407.893919
where:
bonds (distance) C4'-P energy: -69.103
bonds (distance) P-C4' energy: -78.236
flat angles C4'-P-C4' energy: -84.000
flat angles P-C4'-P energy: -52.762
tors. eta vs tors. theta energy: -123.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 190
Temperature: 0.950000
Total energy: -1326.552557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1326.552557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1326.552557 (E_RNA)
where:
Base-Base interactions energy: -917.171
where: short stacking energy: -373.346
Base-Backbone interact. energy: -3.893
local terms energy: -405.488927
where:
bonds (distance) C4'-P energy: -74.918
bonds (distance) P-C4' energy: -68.315
flat angles C4'-P-C4' energy: -90.249
flat angles P-C4'-P energy: -58.962
tors. eta vs tors. theta energy: -113.045
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: 6
=====================================
Write number: 190
Temperature: 1.000000
Total energy: -1260.108189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1260.108189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1260.108189 (E_RNA)
where:
Base-Base interactions energy: -887.370
where: short stacking energy: -349.660
Base-Backbone interact. energy: -2.649
local terms energy: -370.088804
where:
bonds (distance) C4'-P energy: -69.873
bonds (distance) P-C4' energy: -67.253
flat angles C4'-P-C4' energy: -84.687
flat angles P-C4'-P energy: -59.234
tors. eta vs tors. theta energy: -89.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 190
Temperature: 1.050000
Total energy: -1166.421253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1166.421253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1166.421253 (E_RNA)
where:
Base-Base interactions energy: -796.053
where: short stacking energy: -352.712
Base-Backbone interact. energy: -2.760
local terms energy: -367.607815
where:
bonds (distance) C4'-P energy: -74.249
bonds (distance) P-C4' energy: -63.350
flat angles C4'-P-C4' energy: -71.597
flat angles P-C4'-P energy: -56.125
tors. eta vs tors. theta energy: -102.286
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: 5, replica: 2
=====================================
Write number: 190
Temperature: 1.100000
Total energy: -1025.595744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1025.595744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1025.595744 (E_RNA)
where:
Base-Base interactions energy: -712.086
where: short stacking energy: -318.212
Base-Backbone interact. energy: -1.338
local terms energy: -312.171707
where:
bonds (distance) C4'-P energy: -46.474
bonds (distance) P-C4' energy: -71.651
flat angles C4'-P-C4' energy: -65.889
flat angles P-C4'-P energy: -49.189
tors. eta vs tors. theta energy: -78.970
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: 6, replica: 8
=====================================
Write number: 190
Temperature: 1.150000
Total energy: -1038.354339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1038.354339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1038.354339 (E_RNA)
where:
Base-Base interactions energy: -706.961
where: short stacking energy: -301.582
Base-Backbone interact. energy: 1.620
local terms energy: -335.050769
where:
bonds (distance) C4'-P energy: -62.771
bonds (distance) P-C4' energy: -69.226
flat angles C4'-P-C4' energy: -71.043
flat angles P-C4'-P energy: -45.452
tors. eta vs tors. theta energy: -86.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 2.038 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 190
Temperature: 1.200000
Total energy: -880.390508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -880.390508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -880.390508 (E_RNA)
where:
Base-Base interactions energy: -578.778
where: short stacking energy: -250.262
Base-Backbone interact. energy: 6.642
local terms energy: -308.254499
where:
bonds (distance) C4'-P energy: -63.855
bonds (distance) P-C4' energy: -59.721
flat angles C4'-P-C4' energy: -69.683
flat angles P-C4'-P energy: -48.528
tors. eta vs tors. theta energy: -66.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 190
Temperature: 1.250000
Total energy: -795.616427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -795.616427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -795.616427 (E_RNA)
where:
Base-Base interactions energy: -534.417
where: short stacking energy: -231.337
Base-Backbone interact. energy: -1.490
local terms energy: -259.709379
where:
bonds (distance) C4'-P energy: -44.782
bonds (distance) P-C4' energy: -66.073
flat angles C4'-P-C4' energy: -55.011
flat angles P-C4'-P energy: -42.658
tors. eta vs tors. theta energy: -51.184
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: 10
=====================================
Write number: 190
Temperature: 1.300000
Total energy: -631.338525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -631.338525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -631.338525 (E_RNA)
where:
Base-Base interactions energy: -377.697
where: short stacking energy: -180.499
Base-Backbone interact. energy: 0.319
local terms energy: -253.960148
where:
bonds (distance) C4'-P energy: -54.285
bonds (distance) P-C4' energy: -67.675
flat angles C4'-P-C4' energy: -64.211
flat angles P-C4'-P energy: -36.279
tors. eta vs tors. theta energy: -31.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 190
Temperature: 1.350000
Total energy: -424.527991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.527991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.527991 (E_RNA)
where:
Base-Base interactions energy: -209.379
where: short stacking energy: -121.002
Base-Backbone interact. energy: -2.520
local terms energy: -212.629292
where:
bonds (distance) C4'-P energy: -54.035
bonds (distance) P-C4' energy: -60.445
flat angles C4'-P-C4' energy: -57.534
flat angles P-C4'-P energy: -32.880
tors. eta vs tors. theta energy: -7.736
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: 5
=====================================
Write number: 191
Temperature: 0.900000
Total energy: -1407.971456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1407.971456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1407.971456 (E_RNA)
where:
Base-Base interactions energy: -965.726
where: short stacking energy: -405.556
Base-Backbone interact. energy: -0.046
local terms energy: -442.199484
where:
bonds (distance) C4'-P energy: -79.922
bonds (distance) P-C4' energy: -85.118
flat angles C4'-P-C4' energy: -89.253
flat angles P-C4'-P energy: -63.589
tors. eta vs tors. theta energy: -124.318
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: 191
Temperature: 0.950000
Total energy: -1318.252307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1318.252307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1318.252307 (E_RNA)
where:
Base-Base interactions energy: -923.110
where: short stacking energy: -397.167
Base-Backbone interact. energy: 2.730
local terms energy: -397.872662
where:
bonds (distance) C4'-P energy: -77.827
bonds (distance) P-C4' energy: -77.284
flat angles C4'-P-C4' energy: -86.663
flat angles P-C4'-P energy: -47.067
tors. eta vs tors. theta energy: -109.032
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: 3, replica: 6
=====================================
Write number: 191
Temperature: 1.000000
Total energy: -1277.066122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1277.066122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1277.066122 (E_RNA)
where:
Base-Base interactions energy: -904.123
where: short stacking energy: -360.012
Base-Backbone interact. energy: -2.152
local terms energy: -370.892998
where:
bonds (distance) C4'-P energy: -73.825
bonds (distance) P-C4' energy: -71.073
flat angles C4'-P-C4' energy: -83.631
flat angles P-C4'-P energy: -47.906
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: 0.103 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 191
Temperature: 1.050000
Total energy: -1155.951613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1155.951613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1155.951613 (E_RNA)
where:
Base-Base interactions energy: -785.482
where: short stacking energy: -352.146
Base-Backbone interact. energy: -1.648
local terms energy: -368.822234
where:
bonds (distance) C4'-P energy: -65.557
bonds (distance) P-C4' energy: -72.190
flat angles C4'-P-C4' energy: -76.608
flat angles P-C4'-P energy: -52.158
tors. eta vs tors. theta energy: -102.309
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: 2
=====================================
Write number: 191
Temperature: 1.100000
Total energy: -1050.709487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1050.709487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1050.709487 (E_RNA)
where:
Base-Base interactions energy: -713.970
where: short stacking energy: -306.325
Base-Backbone interact. energy: -2.391
local terms energy: -334.348244
where:
bonds (distance) C4'-P energy: -59.586
bonds (distance) P-C4' energy: -73.966
flat angles C4'-P-C4' energy: -70.948
flat angles P-C4'-P energy: -51.888
tors. eta vs tors. theta energy: -77.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 191
Temperature: 1.150000
Total energy: -1132.480597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1132.480597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1132.480597 (E_RNA)
where:
Base-Base interactions energy: -750.739
where: short stacking energy: -305.693
Base-Backbone interact. energy: 1.197
local terms energy: -382.938519
where:
bonds (distance) C4'-P energy: -62.046
bonds (distance) P-C4' energy: -78.670
flat angles C4'-P-C4' energy: -82.789
flat angles P-C4'-P energy: -56.722
tors. eta vs tors. theta energy: -102.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 191
Temperature: 1.200000
Total energy: -903.440555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -903.440555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -903.440555 (E_RNA)
where:
Base-Base interactions energy: -616.428
where: short stacking energy: -263.371
Base-Backbone interact. energy: -0.912
local terms energy: -286.100698
where:
bonds (distance) C4'-P energy: -46.628
bonds (distance) P-C4' energy: -68.269
flat angles C4'-P-C4' energy: -73.880
flat angles P-C4'-P energy: -40.596
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: 1
=====================================
Write number: 191
Temperature: 1.250000
Total energy: -802.804340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -802.804340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -802.804340 (E_RNA)
where:
Base-Base interactions energy: -526.274
where: short stacking energy: -242.011
Base-Backbone interact. energy: -1.188
local terms energy: -275.342523
where:
bonds (distance) C4'-P energy: -53.499
bonds (distance) P-C4' energy: -67.310
flat angles C4'-P-C4' energy: -70.781
flat angles P-C4'-P energy: -40.190
tors. eta vs tors. theta energy: -43.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 191
Temperature: 1.300000
Total energy: -650.236871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -650.236871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -650.236871 (E_RNA)
where:
Base-Base interactions energy: -397.670
where: short stacking energy: -197.110
Base-Backbone interact. energy: -3.263
local terms energy: -249.304070
where:
bonds (distance) C4'-P energy: -60.414
bonds (distance) P-C4' energy: -55.159
flat angles C4'-P-C4' energy: -59.263
flat angles P-C4'-P energy: -45.179
tors. eta vs tors. theta energy: -29.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 191
Temperature: 1.350000
Total energy: -398.929778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.929778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.929778 (E_RNA)
where:
Base-Base interactions energy: -189.060
where: short stacking energy: -124.230
Base-Backbone interact. energy: 2.296
local terms energy: -212.165731
where:
bonds (distance) C4'-P energy: -65.162
bonds (distance) P-C4' energy: -58.999
flat angles C4'-P-C4' energy: -45.385
flat angles P-C4'-P energy: -30.815
tors. eta vs tors. theta energy: -11.806
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: 1, replica: 5
=====================================
Write number: 192
Temperature: 0.900000
Total energy: -1387.464765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1387.464765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1387.464765 (E_RNA)
where:
Base-Base interactions energy: -984.052
where: short stacking energy: -401.299
Base-Backbone interact. energy: -4.163
local terms energy: -399.249818
where:
bonds (distance) C4'-P energy: -65.916
bonds (distance) P-C4' energy: -77.818
flat angles C4'-P-C4' energy: -85.828
flat angles P-C4'-P energy: -54.635
tors. eta vs tors. theta energy: -115.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 192
Temperature: 0.950000
Total energy: -1326.579668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1326.579668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1326.579668 (E_RNA)
where:
Base-Base interactions energy: -925.182
where: short stacking energy: -381.655
Base-Backbone interact. energy: -1.172
local terms energy: -400.226002
where:
bonds (distance) C4'-P energy: -63.133
bonds (distance) P-C4' energy: -80.193
flat angles C4'-P-C4' energy: -84.024
flat angles P-C4'-P energy: -60.035
tors. eta vs tors. theta energy: -112.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 192
Temperature: 1.000000
Total energy: -1284.524189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1284.524189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1284.524189 (E_RNA)
where:
Base-Base interactions energy: -916.296
where: short stacking energy: -355.494
Base-Backbone interact. energy: -1.833
local terms energy: -366.395301
where:
bonds (distance) C4'-P energy: -60.113
bonds (distance) P-C4' energy: -79.148
flat angles C4'-P-C4' energy: -79.672
flat angles P-C4'-P energy: -51.186
tors. eta vs tors. theta energy: -96.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 192
Temperature: 1.050000
Total energy: -1148.728296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1148.728296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1148.728296 (E_RNA)
where:
Base-Base interactions energy: -766.130
where: short stacking energy: -340.119
Base-Backbone interact. energy: 3.003
local terms energy: -385.601367
where:
bonds (distance) C4'-P energy: -79.546
bonds (distance) P-C4' energy: -78.728
flat angles C4'-P-C4' energy: -73.325
flat angles P-C4'-P energy: -58.182
tors. eta vs tors. theta energy: -95.820
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: 8
=====================================
Write number: 192
Temperature: 1.100000
Total energy: -1186.747419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1186.747419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1186.747419 (E_RNA)
where:
Base-Base interactions energy: -810.861
where: short stacking energy: -357.834
Base-Backbone interact. energy: -1.909
local terms energy: -373.977521
where:
bonds (distance) C4'-P energy: -70.510
bonds (distance) P-C4' energy: -64.499
flat angles C4'-P-C4' energy: -72.409
flat angles P-C4'-P energy: -63.679
tors. eta vs tors. theta energy: -102.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 192
Temperature: 1.150000
Total energy: -1038.883515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1038.883515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1038.883515 (E_RNA)
where:
Base-Base interactions energy: -701.961
where: short stacking energy: -315.145
Base-Backbone interact. energy: 0.606
local terms energy: -337.528480
where:
bonds (distance) C4'-P energy: -66.748
bonds (distance) P-C4' energy: -63.776
flat angles C4'-P-C4' energy: -79.796
flat angles P-C4'-P energy: -37.481
tors. eta vs tors. theta energy: -89.728
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: 9
=====================================
Write number: 192
Temperature: 1.200000
Total energy: -938.864583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -938.864583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -938.864583 (E_RNA)
where:
Base-Base interactions energy: -598.073
where: short stacking energy: -261.712
Base-Backbone interact. energy: -2.469
local terms energy: -338.323269
where:
bonds (distance) C4'-P energy: -70.536
bonds (distance) P-C4' energy: -73.642
flat angles C4'-P-C4' energy: -74.587
flat angles P-C4'-P energy: -45.270
tors. eta vs tors. theta energy: -74.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 192
Temperature: 1.250000
Total energy: -753.571498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -753.571498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -753.571498 (E_RNA)
where:
Base-Base interactions energy: -487.176
where: short stacking energy: -222.506
Base-Backbone interact. energy: 1.892
local terms energy: -268.287414
where:
bonds (distance) C4'-P energy: -61.106
bonds (distance) P-C4' energy: -62.847
flat angles C4'-P-C4' energy: -58.488
flat angles P-C4'-P energy: -34.578
tors. eta vs tors. theta energy: -51.268
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: 10
=====================================
Write number: 192
Temperature: 1.300000
Total energy: -631.984678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -631.984678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -631.984678 (E_RNA)
where:
Base-Base interactions energy: -378.246
where: short stacking energy: -200.443
Base-Backbone interact. energy: 4.206
local terms energy: -258.657210
where:
bonds (distance) C4'-P energy: -65.329
bonds (distance) P-C4' energy: -60.577
flat angles C4'-P-C4' energy: -55.571
flat angles P-C4'-P energy: -38.434
tors. eta vs tors. theta energy: -38.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.712 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 192
Temperature: 1.350000
Total energy: -380.316399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.316399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.316399 (E_RNA)
where:
Base-Base interactions energy: -174.341
where: short stacking energy: -96.539
Base-Backbone interact. energy: 3.042
local terms energy: -209.016530
where:
bonds (distance) C4'-P energy: -69.364
bonds (distance) P-C4' energy: -75.608
flat angles C4'-P-C4' energy: -42.114
flat angles P-C4'-P energy: -27.411
tors. eta vs tors. theta energy: 5.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 193
Temperature: 0.900000
Total energy: -1387.394684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1387.394684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1387.394684 (E_RNA)
where:
Base-Base interactions energy: -959.727
where: short stacking energy: -398.353
Base-Backbone interact. energy: -2.829
local terms energy: -424.838709
where:
bonds (distance) C4'-P energy: -85.015
bonds (distance) P-C4' energy: -87.645
flat angles C4'-P-C4' energy: -75.625
flat angles P-C4'-P energy: -62.338
tors. eta vs tors. theta energy: -114.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 193
Temperature: 0.950000
Total energy: -1351.555839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1351.555839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1351.555839 (E_RNA)
where:
Base-Base interactions energy: -950.297
where: short stacking energy: -393.325
Base-Backbone interact. energy: -0.301
local terms energy: -400.957317
where:
bonds (distance) C4'-P energy: -73.905
bonds (distance) P-C4' energy: -60.830
flat angles C4'-P-C4' energy: -85.442
flat angles P-C4'-P energy: -61.392
tors. eta vs tors. theta energy: -119.388
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: 3, replica: 6
=====================================
Write number: 193
Temperature: 1.000000
Total energy: -1295.881660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1295.881660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1295.881660 (E_RNA)
where:
Base-Base interactions energy: -938.537
where: short stacking energy: -361.291
Base-Backbone interact. energy: -0.778
local terms energy: -356.566267
where:
bonds (distance) C4'-P energy: -59.929
bonds (distance) P-C4' energy: -89.717
flat angles C4'-P-C4' energy: -76.586
flat angles P-C4'-P energy: -36.725
tors. eta vs tors. theta energy: -93.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 193
Temperature: 1.050000
Total energy: -1236.198924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1236.198924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1236.198924 (E_RNA)
where:
Base-Base interactions energy: -867.118
where: short stacking energy: -378.497
Base-Backbone interact. energy: -0.159
local terms energy: -368.922274
where:
bonds (distance) C4'-P energy: -67.290
bonds (distance) P-C4' energy: -60.072
flat angles C4'-P-C4' energy: -69.691
flat angles P-C4'-P energy: -50.819
tors. eta vs tors. theta energy: -121.050
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: 5, replica: 7
=====================================
Write number: 193
Temperature: 1.100000
Total energy: -1140.913771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1140.913771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1140.913771 (E_RNA)
where:
Base-Base interactions energy: -778.717
where: short stacking energy: -361.958
Base-Backbone interact. energy: 0.459
local terms energy: -362.655683
where:
bonds (distance) C4'-P energy: -67.610
bonds (distance) P-C4' energy: -58.495
flat angles C4'-P-C4' energy: -86.664
flat angles P-C4'-P energy: -46.635
tors. eta vs tors. theta energy: -103.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 193
Temperature: 1.150000
Total energy: -976.116957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -976.116957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -976.116957 (E_RNA)
where:
Base-Base interactions energy: -654.474
where: short stacking energy: -271.913
Base-Backbone interact. energy: 1.023
local terms energy: -322.666563
where:
bonds (distance) C4'-P energy: -64.283
bonds (distance) P-C4' energy: -69.815
flat angles C4'-P-C4' energy: -65.492
flat angles P-C4'-P energy: -56.601
tors. eta vs tors. theta energy: -66.477
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: 9
=====================================
Write number: 193
Temperature: 1.200000
Total energy: -960.500758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -960.500758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -960.500758 (E_RNA)
where:
Base-Base interactions energy: -639.331
where: short stacking energy: -268.068
Base-Backbone interact. energy: -1.623
local terms energy: -319.546454
where:
bonds (distance) C4'-P energy: -63.660
bonds (distance) P-C4' energy: -76.633
flat angles C4'-P-C4' energy: -67.376
flat angles P-C4'-P energy: -45.251
tors. eta vs tors. theta energy: -66.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 193
Temperature: 1.250000
Total energy: -736.080249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -736.080249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -736.080249 (E_RNA)
where:
Base-Base interactions energy: -481.659
where: short stacking energy: -247.583
Base-Backbone interact. energy: 2.384
local terms energy: -256.805602
where:
bonds (distance) C4'-P energy: -60.592
bonds (distance) P-C4' energy: -51.558
flat angles C4'-P-C4' energy: -61.583
flat angles P-C4'-P energy: -38.433
tors. eta vs tors. theta energy: -44.640
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: 9, replica: 10
=====================================
Write number: 193
Temperature: 1.300000
Total energy: -633.607736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -633.607736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -633.607736 (E_RNA)
where:
Base-Base interactions energy: -355.952
where: short stacking energy: -169.510
Base-Backbone interact. energy: 1.239
local terms energy: -278.894948
where:
bonds (distance) C4'-P energy: -71.389
bonds (distance) P-C4' energy: -62.067
flat angles C4'-P-C4' energy: -61.888
flat angles P-C4'-P energy: -42.819
tors. eta vs tors. theta energy: -40.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 193
Temperature: 1.350000
Total energy: -412.251150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.251150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.251150 (E_RNA)
where:
Base-Base interactions energy: -194.339
where: short stacking energy: -130.098
Base-Backbone interact. energy: 1.022
local terms energy: -218.934458
where:
bonds (distance) C4'-P energy: -63.485
bonds (distance) P-C4' energy: -75.875
flat angles C4'-P-C4' energy: -46.321
flat angles P-C4'-P energy: -24.453
tors. eta vs tors. theta energy: -8.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 194
Temperature: 0.900000
Total energy: -1402.733656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1402.733656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1402.733656 (E_RNA)
where:
Base-Base interactions energy: -984.801
where: short stacking energy: -405.217
Base-Backbone interact. energy: -2.569
local terms energy: -415.363460
where:
bonds (distance) C4'-P energy: -73.154
bonds (distance) P-C4' energy: -78.526
flat angles C4'-P-C4' energy: -84.308
flat angles P-C4'-P energy: -63.893
tors. eta vs tors. theta energy: -115.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 194
Temperature: 0.950000
Total energy: -1334.640386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1334.640386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1334.640386 (E_RNA)
where:
Base-Base interactions energy: -923.859
where: short stacking energy: -379.830
Base-Backbone interact. energy: -2.870
local terms energy: -407.912018
where:
bonds (distance) C4'-P energy: -74.085
bonds (distance) P-C4' energy: -75.149
flat angles C4'-P-C4' energy: -88.600
flat angles P-C4'-P energy: -57.074
tors. eta vs tors. theta energy: -113.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 194
Temperature: 1.000000
Total energy: -1287.549428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1287.549428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1287.549428 (E_RNA)
where:
Base-Base interactions energy: -884.861
where: short stacking energy: -373.685
Base-Backbone interact. energy: -1.134
local terms energy: -401.554195
where:
bonds (distance) C4'-P energy: -62.377
bonds (distance) P-C4' energy: -75.213
flat angles C4'-P-C4' energy: -82.581
flat angles P-C4'-P energy: -59.266
tors. eta vs tors. theta energy: -122.117
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: 6
=====================================
Write number: 194
Temperature: 1.050000
Total energy: -1240.962612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1240.962612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1240.962612 (E_RNA)
where:
Base-Base interactions energy: -894.888
where: short stacking energy: -364.588
Base-Backbone interact. energy: 1.062
local terms energy: -348.818918
where:
bonds (distance) C4'-P energy: -68.363
bonds (distance) P-C4' energy: -71.600
flat angles C4'-P-C4' energy: -80.331
flat angles P-C4'-P energy: -42.677
tors. eta vs tors. theta energy: -85.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.682 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 194
Temperature: 1.100000
Total energy: -1118.703570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1118.703570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1118.703570 (E_RNA)
where:
Base-Base interactions energy: -759.185
where: short stacking energy: -323.977
Base-Backbone interact. energy: -0.972
local terms energy: -358.546692
where:
bonds (distance) C4'-P energy: -66.169
bonds (distance) P-C4' energy: -68.743
flat angles C4'-P-C4' energy: -80.575
flat angles P-C4'-P energy: -52.910
tors. eta vs tors. theta energy: -90.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 194
Temperature: 1.150000
Total energy: -1005.456777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1005.456777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1005.456777 (E_RNA)
where:
Base-Base interactions energy: -686.032
where: short stacking energy: -298.770
Base-Backbone interact. energy: -3.149
local terms energy: -316.276182
where:
bonds (distance) C4'-P energy: -50.958
bonds (distance) P-C4' energy: -69.267
flat angles C4'-P-C4' energy: -82.145
flat angles P-C4'-P energy: -44.486
tors. eta vs tors. theta energy: -69.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 194
Temperature: 1.200000
Total energy: -914.841152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -914.841152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -914.841152 (E_RNA)
where:
Base-Base interactions energy: -615.370
where: short stacking energy: -251.381
Base-Backbone interact. energy: 0.754
local terms energy: -300.225097
where:
bonds (distance) C4'-P energy: -62.779
bonds (distance) P-C4' energy: -59.111
flat angles C4'-P-C4' energy: -61.742
flat angles P-C4'-P energy: -58.437
tors. eta vs tors. theta energy: -58.155
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: 1
=====================================
Write number: 194
Temperature: 1.250000
Total energy: -780.106390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -780.106390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -780.106390 (E_RNA)
where:
Base-Base interactions energy: -494.233
where: short stacking energy: -211.157
Base-Backbone interact. energy: 2.135
local terms energy: -288.008586
where:
bonds (distance) C4'-P energy: -64.357
bonds (distance) P-C4' energy: -67.095
flat angles C4'-P-C4' energy: -63.845
flat angles P-C4'-P energy: -42.727
tors. eta vs tors. theta energy: -49.984
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: 10
=====================================
Write number: 194
Temperature: 1.300000
Total energy: -621.708814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -621.708814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -621.708814 (E_RNA)
where:
Base-Base interactions energy: -373.858
where: short stacking energy: -186.287
Base-Backbone interact. energy: -0.501
local terms energy: -247.350004
where:
bonds (distance) C4'-P energy: -58.617
bonds (distance) P-C4' energy: -63.726
flat angles C4'-P-C4' energy: -70.535
flat angles P-C4'-P energy: -32.634
tors. eta vs tors. theta energy: -21.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 194
Temperature: 1.350000
Total energy: -382.519605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.519605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.519605 (E_RNA)
where:
Base-Base interactions energy: -178.758
where: short stacking energy: -125.195
Base-Backbone interact. energy: 0.192
local terms energy: -203.953318
where:
bonds (distance) C4'-P energy: -53.363
bonds (distance) P-C4' energy: -59.721
flat angles C4'-P-C4' energy: -61.878
flat angles P-C4'-P energy: -28.489
tors. eta vs tors. theta energy: -0.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 195
Temperature: 0.900000
Total energy: -1398.349527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1398.349527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1398.349527 (E_RNA)
where:
Base-Base interactions energy: -959.044
where: short stacking energy: -403.586
Base-Backbone interact. energy: -3.781
local terms energy: -435.524579
where:
bonds (distance) C4'-P energy: -71.274
bonds (distance) P-C4' energy: -86.775
flat angles C4'-P-C4' energy: -94.472
flat angles P-C4'-P energy: -62.219
tors. eta vs tors. theta energy: -120.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 195
Temperature: 0.950000
Total energy: -1286.137282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1286.137282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1286.137282 (E_RNA)
where:
Base-Base interactions energy: -895.448
where: short stacking energy: -393.560
Base-Backbone interact. energy: -1.611
local terms energy: -389.078513
where:
bonds (distance) C4'-P energy: -77.904
bonds (distance) P-C4' energy: -69.477
flat angles C4'-P-C4' energy: -78.468
flat angles P-C4'-P energy: -47.368
tors. eta vs tors. theta energy: -115.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 195
Temperature: 1.000000
Total energy: -1310.875561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1310.875561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1310.875561 (E_RNA)
where:
Base-Base interactions energy: -915.533
where: short stacking energy: -378.635
Base-Backbone interact. energy: -2.012
local terms energy: -393.330295
where:
bonds (distance) C4'-P energy: -69.091
bonds (distance) P-C4' energy: -70.079
flat angles C4'-P-C4' energy: -87.153
flat angles P-C4'-P energy: -58.158
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: 6
=====================================
Write number: 195
Temperature: 1.050000
Total energy: -1195.968940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1195.968940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1195.968940 (E_RNA)
where:
Base-Base interactions energy: -847.319
where: short stacking energy: -346.471
Base-Backbone interact. energy: 0.304
local terms energy: -348.953551
where:
bonds (distance) C4'-P energy: -64.572
bonds (distance) P-C4' energy: -65.510
flat angles C4'-P-C4' energy: -77.229
flat angles P-C4'-P energy: -53.773
tors. eta vs tors. theta energy: -87.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 195
Temperature: 1.100000
Total energy: -1102.934861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1102.934861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1102.934861 (E_RNA)
where:
Base-Base interactions energy: -752.369
where: short stacking energy: -340.867
Base-Backbone interact. energy: -1.153
local terms energy: -349.413234
where:
bonds (distance) C4'-P energy: -64.269
bonds (distance) P-C4' energy: -72.443
flat angles C4'-P-C4' energy: -71.483
flat angles P-C4'-P energy: -52.073
tors. eta vs tors. theta energy: -89.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 195
Temperature: 1.150000
Total energy: -1002.699232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1002.699232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1002.699232 (E_RNA)
where:
Base-Base interactions energy: -687.293
where: short stacking energy: -298.918
Base-Backbone interact. energy: -2.690
local terms energy: -312.716597
where:
bonds (distance) C4'-P energy: -58.910
bonds (distance) P-C4' energy: -76.916
flat angles C4'-P-C4' energy: -64.038
flat angles P-C4'-P energy: -39.509
tors. eta vs tors. theta energy: -73.343
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: 9
=====================================
Write number: 195
Temperature: 1.200000
Total energy: -887.976495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -887.976495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -887.976495 (E_RNA)
where:
Base-Base interactions energy: -581.788
where: short stacking energy: -250.491
Base-Backbone interact. energy: -2.001
local terms energy: -304.186912
where:
bonds (distance) C4'-P energy: -65.763
bonds (distance) P-C4' energy: -74.019
flat angles C4'-P-C4' energy: -81.442
flat angles P-C4'-P energy: -34.445
tors. eta vs tors. theta energy: -48.518
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: 8, replica: 1
=====================================
Write number: 195
Temperature: 1.250000
Total energy: -801.193116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -801.193116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -801.193116 (E_RNA)
where:
Base-Base interactions energy: -519.178
where: short stacking energy: -237.637
Base-Backbone interact. energy: -2.060
local terms energy: -279.954894
where:
bonds (distance) C4'-P energy: -55.288
bonds (distance) P-C4' energy: -65.879
flat angles C4'-P-C4' energy: -78.034
flat angles P-C4'-P energy: -36.301
tors. eta vs tors. theta energy: -44.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 195
Temperature: 1.300000
Total energy: -624.864312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -624.864312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -624.864312 (E_RNA)
where:
Base-Base interactions energy: -361.112
where: short stacking energy: -167.556
Base-Backbone interact. energy: -1.224
local terms energy: -262.528789
where:
bonds (distance) C4'-P energy: -52.749
bonds (distance) P-C4' energy: -79.306
flat angles C4'-P-C4' energy: -57.384
flat angles P-C4'-P energy: -40.346
tors. eta vs tors. theta energy: -32.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 195
Temperature: 1.350000
Total energy: -400.117101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.117101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -400.117101 (E_RNA)
where:
Base-Base interactions energy: -197.630
where: short stacking energy: -120.274
Base-Backbone interact. energy: -0.580
local terms energy: -201.906952
where:
bonds (distance) C4'-P energy: -63.480
bonds (distance) P-C4' energy: -58.743
flat angles C4'-P-C4' energy: -48.229
flat angles P-C4'-P energy: -39.546
tors. eta vs tors. theta energy: 8.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 196
Temperature: 0.900000
Total energy: -1398.850385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1398.850385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1398.850385 (E_RNA)
where:
Base-Base interactions energy: -974.329
where: short stacking energy: -395.602
Base-Backbone interact. energy: -3.347
local terms energy: -421.173990
where:
bonds (distance) C4'-P energy: -79.486
bonds (distance) P-C4' energy: -72.025
flat angles C4'-P-C4' energy: -87.484
flat angles P-C4'-P energy: -62.733
tors. eta vs tors. theta energy: -119.446
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: 8
=====================================
Write number: 196
Temperature: 0.950000
Total energy: -1306.894676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1306.894676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1306.894676 (E_RNA)
where:
Base-Base interactions energy: -888.656
where: short stacking energy: -386.559
Base-Backbone interact. energy: -2.028
local terms energy: -416.209846
where:
bonds (distance) C4'-P energy: -78.579
bonds (distance) P-C4' energy: -78.276
flat angles C4'-P-C4' energy: -80.667
flat angles P-C4'-P energy: -61.808
tors. eta vs tors. theta energy: -116.880
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: 196
Temperature: 1.000000
Total energy: -1318.622059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1318.622059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1318.622059 (E_RNA)
where:
Base-Base interactions energy: -928.197
where: short stacking energy: -384.401
Base-Backbone interact. energy: -2.783
local terms energy: -387.641892
where:
bonds (distance) C4'-P energy: -66.825
bonds (distance) P-C4' energy: -77.835
flat angles C4'-P-C4' energy: -81.577
flat angles P-C4'-P energy: -52.627
tors. eta vs tors. theta energy: -108.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 196
Temperature: 1.050000
Total energy: -1213.707143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1213.707143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1213.707143 (E_RNA)
where:
Base-Base interactions energy: -853.976
where: short stacking energy: -318.853
Base-Backbone interact. energy: 3.717
local terms energy: -363.448280
where:
bonds (distance) C4'-P energy: -64.876
bonds (distance) P-C4' energy: -76.013
flat angles C4'-P-C4' energy: -86.474
flat angles P-C4'-P energy: -52.054
tors. eta vs tors. theta energy: -84.031
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: 7
=====================================
Write number: 196
Temperature: 1.100000
Total energy: -1108.985010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1108.985010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1108.985010 (E_RNA)
where:
Base-Base interactions energy: -762.504
where: short stacking energy: -340.469
Base-Backbone interact. energy: -1.838
local terms energy: -344.643279
where:
bonds (distance) C4'-P energy: -70.313
bonds (distance) P-C4' energy: -59.189
flat angles C4'-P-C4' energy: -72.534
flat angles P-C4'-P energy: -56.704
tors. eta vs tors. theta energy: -85.902
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: 2
=====================================
Write number: 196
Temperature: 1.150000
Total energy: -1010.622154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1010.622154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1010.622154 (E_RNA)
where:
Base-Base interactions energy: -690.930
where: short stacking energy: -304.571
Base-Backbone interact. energy: -1.331
local terms energy: -318.361447
where:
bonds (distance) C4'-P energy: -66.562
bonds (distance) P-C4' energy: -70.844
flat angles C4'-P-C4' energy: -68.340
flat angles P-C4'-P energy: -39.366
tors. eta vs tors. theta energy: -73.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 196
Temperature: 1.200000
Total energy: -922.322218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -922.322218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -922.322218 (E_RNA)
where:
Base-Base interactions energy: -608.956
where: short stacking energy: -259.564
Base-Backbone interact. energy: -2.010
local terms energy: -311.356056
where:
bonds (distance) C4'-P energy: -61.514
bonds (distance) P-C4' energy: -72.430
flat angles C4'-P-C4' energy: -64.879
flat angles P-C4'-P energy: -51.496
tors. eta vs tors. theta energy: -61.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 196
Temperature: 1.250000
Total energy: -816.246178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -816.246178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -816.246178 (E_RNA)
where:
Base-Base interactions energy: -531.979
where: short stacking energy: -250.300
Base-Backbone interact. energy: -1.225
local terms energy: -283.042552
where:
bonds (distance) C4'-P energy: -57.008
bonds (distance) P-C4' energy: -61.807
flat angles C4'-P-C4' energy: -69.019
flat angles P-C4'-P energy: -48.691
tors. eta vs tors. theta energy: -46.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 196
Temperature: 1.300000
Total energy: -434.599535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.599535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.599535 (E_RNA)
where:
Base-Base interactions energy: -224.215
where: short stacking energy: -134.234
Base-Backbone interact. energy: -0.556
local terms energy: -209.828943
where:
bonds (distance) C4'-P energy: -54.725
bonds (distance) P-C4' energy: -66.477
flat angles C4'-P-C4' energy: -54.597
flat angles P-C4'-P energy: -35.133
tors. eta vs tors. theta energy: 1.103
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: 10
=====================================
Write number: 196
Temperature: 1.350000
Total energy: -562.809022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -562.809022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -562.809022 (E_RNA)
where:
Base-Base interactions energy: -332.192
where: short stacking energy: -181.260
Base-Backbone interact. energy: -0.936
local terms energy: -229.680895
where:
bonds (distance) C4'-P energy: -59.025
bonds (distance) P-C4' energy: -50.175
flat angles C4'-P-C4' energy: -52.832
flat angles P-C4'-P energy: -40.565
tors. eta vs tors. theta energy: -27.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 197
Temperature: 0.900000
Total energy: -1404.573809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1404.573809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1404.573809 (E_RNA)
where:
Base-Base interactions energy: -977.221
where: short stacking energy: -394.605
Base-Backbone interact. energy: -1.362
local terms energy: -425.991696
where:
bonds (distance) C4'-P energy: -82.538
bonds (distance) P-C4' energy: -75.570
flat angles C4'-P-C4' energy: -83.922
flat angles P-C4'-P energy: -63.112
tors. eta vs tors. theta energy: -120.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 197
Temperature: 0.950000
Total energy: -1315.909656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1315.909656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1315.909656 (E_RNA)
where:
Base-Base interactions energy: -922.923
where: short stacking energy: -390.773
Base-Backbone interact. energy: -0.549
local terms energy: -392.436860
where:
bonds (distance) C4'-P energy: -75.313
bonds (distance) P-C4' energy: -67.188
flat angles C4'-P-C4' energy: -82.892
flat angles P-C4'-P energy: -45.530
tors. eta vs tors. theta energy: -121.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 197
Temperature: 1.000000
Total energy: -1317.882703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1317.882703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1317.882703 (E_RNA)
where:
Base-Base interactions energy: -896.661
where: short stacking energy: -380.831
Base-Backbone interact. energy: -2.117
local terms energy: -419.104830
where:
bonds (distance) C4'-P energy: -70.772
bonds (distance) P-C4' energy: -75.940
flat angles C4'-P-C4' energy: -91.393
flat angles P-C4'-P energy: -62.094
tors. eta vs tors. theta energy: -118.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 197
Temperature: 1.050000
Total energy: -1208.218732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1208.218732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1208.218732 (E_RNA)
where:
Base-Base interactions energy: -853.789
where: short stacking energy: -335.304
Base-Backbone interact. energy: 1.795
local terms energy: -356.224446
where:
bonds (distance) C4'-P energy: -65.162
bonds (distance) P-C4' energy: -78.089
flat angles C4'-P-C4' energy: -85.652
flat angles P-C4'-P energy: -44.635
tors. eta vs tors. theta energy: -82.686
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: 7
=====================================
Write number: 197
Temperature: 1.100000
Total energy: -1109.097648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1109.097648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1109.097648 (E_RNA)
where:
Base-Base interactions energy: -734.414
where: short stacking energy: -314.539
Base-Backbone interact. energy: -2.244
local terms energy: -372.439396
where:
bonds (distance) C4'-P energy: -82.519
bonds (distance) P-C4' energy: -70.694
flat angles C4'-P-C4' energy: -82.452
flat angles P-C4'-P energy: -54.937
tors. eta vs tors. theta energy: -81.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 197
Temperature: 1.150000
Total energy: -1007.393907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1007.393907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1007.393907 (E_RNA)
where:
Base-Base interactions energy: -691.590
where: short stacking energy: -309.057
Base-Backbone interact. energy: -2.128
local terms energy: -313.675766
where:
bonds (distance) C4'-P energy: -61.927
bonds (distance) P-C4' energy: -52.406
flat angles C4'-P-C4' energy: -75.151
flat angles P-C4'-P energy: -56.259
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: 7, replica: 9
=====================================
Write number: 197
Temperature: 1.200000
Total energy: -916.826520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -916.826520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -916.826520 (E_RNA)
where:
Base-Base interactions energy: -611.135
where: short stacking energy: -255.741
Base-Backbone interact. energy: -0.580
local terms energy: -305.111655
where:
bonds (distance) C4'-P energy: -64.384
bonds (distance) P-C4' energy: -71.122
flat angles C4'-P-C4' energy: -67.218
flat angles P-C4'-P energy: -46.846
tors. eta vs tors. theta energy: -55.541
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: 1
=====================================
Write number: 197
Temperature: 1.250000
Total energy: -818.624888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -818.624888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -818.624888 (E_RNA)
where:
Base-Base interactions energy: -528.092
where: short stacking energy: -249.386
Base-Backbone interact. energy: -0.152
local terms energy: -290.380827
where:
bonds (distance) C4'-P energy: -63.904
bonds (distance) P-C4' energy: -67.481
flat angles C4'-P-C4' energy: -69.223
flat angles P-C4'-P energy: -35.355
tors. eta vs tors. theta energy: -54.417
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: 4
=====================================
Write number: 197
Temperature: 1.300000
Total energy: -449.551276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.551276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.551276 (E_RNA)
where:
Base-Base interactions energy: -225.918
where: short stacking energy: -125.266
Base-Backbone interact. energy: 1.952
local terms energy: -225.585806
where:
bonds (distance) C4'-P energy: -56.707
bonds (distance) P-C4' energy: -56.534
flat angles C4'-P-C4' energy: -61.752
flat angles P-C4'-P energy: -42.675
tors. eta vs tors. theta energy: -7.918
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: 10, replica: 10
=====================================
Write number: 197
Temperature: 1.350000
Total energy: -478.011727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.011727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.011727 (E_RNA)
where:
Base-Base interactions energy: -264.292
where: short stacking energy: -116.860
Base-Backbone interact. energy: 0.903
local terms energy: -214.811433
where:
bonds (distance) C4'-P energy: -63.547
bonds (distance) P-C4' energy: -59.211
flat angles C4'-P-C4' energy: -63.454
flat angles P-C4'-P energy: -24.078
tors. eta vs tors. theta energy: -4.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.189 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 198
Temperature: 0.900000
Total energy: -1404.987997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1404.987997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1404.987997 (E_RNA)
where:
Base-Base interactions energy: -988.997
where: short stacking energy: -417.302
Base-Backbone interact. energy: 0.086
local terms energy: -416.077636
where:
bonds (distance) C4'-P energy: -75.607
bonds (distance) P-C4' energy: -70.013
flat angles C4'-P-C4' energy: -86.152
flat angles P-C4'-P energy: -63.481
tors. eta vs tors. theta energy: -120.826
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: 8
=====================================
Write number: 198
Temperature: 0.950000
Total energy: -1326.990665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1326.990665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1326.990665 (E_RNA)
where:
Base-Base interactions energy: -915.993
where: short stacking energy: -406.740
Base-Backbone interact. energy: -0.737
local terms energy: -410.260532
where:
bonds (distance) C4'-P energy: -76.993
bonds (distance) P-C4' energy: -82.118
flat angles C4'-P-C4' energy: -73.429
flat angles P-C4'-P energy: -59.404
tors. eta vs tors. theta energy: -118.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 198
Temperature: 1.000000
Total energy: -1302.428451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1302.428451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1302.428451 (E_RNA)
where:
Base-Base interactions energy: -895.617
where: short stacking energy: -369.890
Base-Backbone interact. energy: -3.191
local terms energy: -403.620667
where:
bonds (distance) C4'-P energy: -78.736
bonds (distance) P-C4' energy: -68.538
flat angles C4'-P-C4' energy: -93.779
flat angles P-C4'-P energy: -51.374
tors. eta vs tors. theta energy: -111.193
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: 6
=====================================
Write number: 198
Temperature: 1.050000
Total energy: -1249.566167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1249.566167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1249.566167 (E_RNA)
where:
Base-Base interactions energy: -870.671
where: short stacking energy: -346.638
Base-Backbone interact. energy: 0.836
local terms energy: -379.731619
where:
bonds (distance) C4'-P energy: -72.347
bonds (distance) P-C4' energy: -78.669
flat angles C4'-P-C4' energy: -74.326
flat angles P-C4'-P energy: -61.792
tors. eta vs tors. theta energy: -92.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 198
Temperature: 1.100000
Total energy: -1117.470932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1117.470932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1117.470932 (E_RNA)
where:
Base-Base interactions energy: -759.846
where: short stacking energy: -339.741
Base-Backbone interact. energy: -1.050
local terms energy: -356.575494
where:
bonds (distance) C4'-P energy: -58.223
bonds (distance) P-C4' energy: -70.131
flat angles C4'-P-C4' energy: -90.629
flat angles P-C4'-P energy: -48.642
tors. eta vs tors. theta energy: -88.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 198
Temperature: 1.150000
Total energy: -977.874966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -977.874966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -977.874966 (E_RNA)
where:
Base-Base interactions energy: -652.920
where: short stacking energy: -304.423
Base-Backbone interact. energy: -2.750
local terms energy: -322.204936
where:
bonds (distance) C4'-P energy: -58.831
bonds (distance) P-C4' energy: -70.838
flat angles C4'-P-C4' energy: -73.664
flat angles P-C4'-P energy: -42.125
tors. eta vs tors. theta energy: -76.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 198
Temperature: 1.200000
Total energy: -918.463353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -918.463353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -918.463353 (E_RNA)
where:
Base-Base interactions energy: -603.108
where: short stacking energy: -262.820
Base-Backbone interact. energy: 3.069
local terms energy: -318.424308
where:
bonds (distance) C4'-P energy: -53.616
bonds (distance) P-C4' energy: -70.606
flat angles C4'-P-C4' energy: -77.804
flat angles P-C4'-P energy: -43.724
tors. eta vs tors. theta energy: -72.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 198
Temperature: 1.250000
Total energy: -834.628801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -834.628801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -834.628801 (E_RNA)
where:
Base-Base interactions energy: -541.787
where: short stacking energy: -235.273
Base-Backbone interact. energy: -2.379
local terms energy: -290.462485
where:
bonds (distance) C4'-P energy: -64.962
bonds (distance) P-C4' energy: -76.397
flat angles C4'-P-C4' energy: -54.175
flat angles P-C4'-P energy: -40.390
tors. eta vs tors. theta energy: -54.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 198
Temperature: 1.300000
Total energy: -535.522098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.522098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.522098 (E_RNA)
where:
Base-Base interactions energy: -278.909
where: short stacking energy: -162.417
Base-Backbone interact. energy: -0.276
local terms energy: -256.336607
where:
bonds (distance) C4'-P energy: -75.022
bonds (distance) P-C4' energy: -67.187
flat angles C4'-P-C4' energy: -66.381
flat angles P-C4'-P energy: -30.951
tors. eta vs tors. theta energy: -16.795
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: 4
=====================================
Write number: 198
Temperature: 1.350000
Total energy: -410.339549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.339549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.339549 (E_RNA)
where:
Base-Base interactions energy: -189.551
where: short stacking energy: -113.488
Base-Backbone interact. energy: -1.050
local terms energy: -219.738623
where:
bonds (distance) C4'-P energy: -58.899
bonds (distance) P-C4' energy: -57.954
flat angles C4'-P-C4' energy: -64.315
flat angles P-C4'-P energy: -34.146
tors. eta vs tors. theta energy: -4.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 199
Temperature: 0.900000
Total energy: -1403.838926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1403.838926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1403.838926 (E_RNA)
where:
Base-Base interactions energy: -991.625
where: short stacking energy: -423.362
Base-Backbone interact. energy: -2.704
local terms energy: -409.510219
where:
bonds (distance) C4'-P energy: -60.180
bonds (distance) P-C4' energy: -86.554
flat angles C4'-P-C4' energy: -87.626
flat angles P-C4'-P energy: -53.386
tors. eta vs tors. theta energy: -121.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 199
Temperature: 0.950000
Total energy: -1336.624558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1336.624558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1336.624558 (E_RNA)
where:
Base-Base interactions energy: -914.156
where: short stacking energy: -402.673
Base-Backbone interact. energy: -3.221
local terms energy: -419.247876
where:
bonds (distance) C4'-P energy: -69.172
bonds (distance) P-C4' energy: -81.691
flat angles C4'-P-C4' energy: -89.985
flat angles P-C4'-P energy: -56.215
tors. eta vs tors. theta energy: -122.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 199
Temperature: 1.000000
Total energy: -1270.524614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1270.524614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1270.524614 (E_RNA)
where:
Base-Base interactions energy: -875.621
where: short stacking energy: -390.287
Base-Backbone interact. energy: 0.924
local terms energy: -395.827222
where:
bonds (distance) C4'-P energy: -71.925
bonds (distance) P-C4' energy: -65.769
flat angles C4'-P-C4' energy: -84.058
flat angles P-C4'-P energy: -56.664
tors. eta vs tors. theta energy: -117.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 199
Temperature: 1.050000
Total energy: -1218.796676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1218.796676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1218.796676 (E_RNA)
where:
Base-Base interactions energy: -859.904
where: short stacking energy: -330.209
Base-Backbone interact. energy: -2.589
local terms energy: -356.303546
where:
bonds (distance) C4'-P energy: -68.074
bonds (distance) P-C4' energy: -71.719
flat angles C4'-P-C4' energy: -73.460
flat angles P-C4'-P energy: -54.728
tors. eta vs tors. theta energy: -88.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 199
Temperature: 1.100000
Total energy: -1105.789246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1105.789246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1105.789246 (E_RNA)
where:
Base-Base interactions energy: -747.587
where: short stacking energy: -319.583
Base-Backbone interact. energy: -3.051
local terms energy: -355.151130
where:
bonds (distance) C4'-P energy: -72.299
bonds (distance) P-C4' energy: -69.667
flat angles C4'-P-C4' energy: -68.190
flat angles P-C4'-P energy: -52.980
tors. eta vs tors. theta energy: -92.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 199
Temperature: 1.150000
Total energy: -1007.115896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1007.115896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1007.115896 (E_RNA)
where:
Base-Base interactions energy: -647.451
where: short stacking energy: -287.730
Base-Backbone interact. energy: -3.664
local terms energy: -356.001030
where:
bonds (distance) C4'-P energy: -76.258
bonds (distance) P-C4' energy: -78.136
flat angles C4'-P-C4' energy: -75.411
flat angles P-C4'-P energy: -64.651
tors. eta vs tors. theta energy: -61.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 199
Temperature: 1.200000
Total energy: -901.312745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -901.312745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -901.312745 (E_RNA)
where:
Base-Base interactions energy: -582.505
where: short stacking energy: -249.941
Base-Backbone interact. energy: 0.713
local terms energy: -319.520124
where:
bonds (distance) C4'-P energy: -69.344
bonds (distance) P-C4' energy: -70.420
flat angles C4'-P-C4' energy: -76.460
flat angles P-C4'-P energy: -42.178
tors. eta vs tors. theta energy: -61.118
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: 8, replica: 1
=====================================
Write number: 199
Temperature: 1.250000
Total energy: -769.700305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -769.700305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -769.700305 (E_RNA)
where:
Base-Base interactions energy: -458.166
where: short stacking energy: -211.735
Base-Backbone interact. energy: -0.163
local terms energy: -311.371508
where:
bonds (distance) C4'-P energy: -66.415
bonds (distance) P-C4' energy: -78.583
flat angles C4'-P-C4' energy: -72.987
flat angles P-C4'-P energy: -51.570
tors. eta vs tors. theta energy: -41.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 199
Temperature: 1.300000
Total energy: -478.365623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.365623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.365623 (E_RNA)
where:
Base-Base interactions energy: -232.199
where: short stacking energy: -146.666
Base-Backbone interact. energy: 1.072
local terms energy: -247.237801
where:
bonds (distance) C4'-P energy: -77.436
bonds (distance) P-C4' energy: -59.552
flat angles C4'-P-C4' energy: -61.946
flat angles P-C4'-P energy: -35.119
tors. eta vs tors. theta energy: -13.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 199
Temperature: 1.350000
Total energy: -443.489911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.489911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.489911 (E_RNA)
where:
Base-Base interactions energy: -215.733
where: short stacking energy: -144.846
Base-Backbone interact. energy: -0.056
local terms energy: -227.700589
where:
bonds (distance) C4'-P energy: -57.367
bonds (distance) P-C4' energy: -71.515
flat angles C4'-P-C4' energy: -50.764
flat angles P-C4'-P energy: -26.782
tors. eta vs tors. theta energy: -21.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 200
Temperature: 0.900000
Total energy: -1404.082865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1404.082865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1404.082865 (E_RNA)
where:
Base-Base interactions energy: -964.156
where: short stacking energy: -414.928
Base-Backbone interact. energy: -0.385
local terms energy: -439.542156
where:
bonds (distance) C4'-P energy: -78.627
bonds (distance) P-C4' energy: -80.378
flat angles C4'-P-C4' energy: -91.689
flat angles P-C4'-P energy: -66.061
tors. eta vs tors. theta energy: -122.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 200
Temperature: 0.950000
Total energy: -1316.630810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1316.630810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1316.630810 (E_RNA)
where:
Base-Base interactions energy: -894.252
where: short stacking energy: -402.557
Base-Backbone interact. energy: -3.095
local terms energy: -419.283466
where:
bonds (distance) C4'-P energy: -74.895
bonds (distance) P-C4' energy: -84.377
flat angles C4'-P-C4' energy: -83.543
flat angles P-C4'-P energy: -56.123
tors. eta vs tors. theta energy: -120.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 200
Temperature: 1.000000
Total energy: -1276.570689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1276.570689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1276.570689 (E_RNA)
where:
Base-Base interactions energy: -900.805
where: short stacking energy: -389.060
Base-Backbone interact. energy: 1.662
local terms energy: -377.427858
where:
bonds (distance) C4'-P energy: -72.213
bonds (distance) P-C4' energy: -62.725
flat angles C4'-P-C4' energy: -82.443
flat angles P-C4'-P energy: -46.688
tors. eta vs tors. theta energy: -113.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 200
Temperature: 1.050000
Total energy: -1212.406893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1212.406893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1212.406893 (E_RNA)
where:
Base-Base interactions energy: -853.296
where: short stacking energy: -346.910
Base-Backbone interact. energy: -0.938
local terms energy: -358.172784
where:
bonds (distance) C4'-P energy: -79.344
bonds (distance) P-C4' energy: -74.580
flat angles C4'-P-C4' energy: -74.491
flat angles P-C4'-P energy: -41.995
tors. eta vs tors. theta energy: -87.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 200
Temperature: 1.100000
Total energy: -1031.794040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1031.794040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1031.794040 (E_RNA)
where:
Base-Base interactions energy: -681.185
where: short stacking energy: -300.663
Base-Backbone interact. energy: -2.499
local terms energy: -348.110775
where:
bonds (distance) C4'-P energy: -72.446
bonds (distance) P-C4' energy: -73.715
flat angles C4'-P-C4' energy: -77.451
flat angles P-C4'-P energy: -42.882
tors. eta vs tors. theta energy: -81.617
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: 7
=====================================
Write number: 200
Temperature: 1.150000
Total energy: -1058.960896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1058.960896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1058.960896 (E_RNA)
where:
Base-Base interactions energy: -706.288
where: short stacking energy: -305.880
Base-Backbone interact. energy: -1.268
local terms energy: -351.403995
where:
bonds (distance) C4'-P energy: -60.890
bonds (distance) P-C4' energy: -73.326
flat angles C4'-P-C4' energy: -74.194
flat angles P-C4'-P energy: -52.637
tors. eta vs tors. theta energy: -90.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 200
Temperature: 1.200000
Total energy: -939.059953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -939.059953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -939.059953 (E_RNA)
where:
Base-Base interactions energy: -610.775
where: short stacking energy: -263.216
Base-Backbone interact. energy: 0.437
local terms energy: -328.722213
where:
bonds (distance) C4'-P energy: -63.780
bonds (distance) P-C4' energy: -68.581
flat angles C4'-P-C4' energy: -75.735
flat angles P-C4'-P energy: -50.094
tors. eta vs tors. theta energy: -70.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 200
Temperature: 1.250000
Total energy: -760.151406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -760.151406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -760.151406 (E_RNA)
where:
Base-Base interactions energy: -464.564
where: short stacking energy: -214.565
Base-Backbone interact. energy: -2.581
local terms energy: -293.005588
where:
bonds (distance) C4'-P energy: -64.025
bonds (distance) P-C4' energy: -86.453
flat angles C4'-P-C4' energy: -54.175
flat angles P-C4'-P energy: -38.129
tors. eta vs tors. theta energy: -50.224
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: 10
=====================================
Write number: 200
Temperature: 1.300000
Total energy: -478.386557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.386557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.386557 (E_RNA)
where:
Base-Base interactions energy: -246.786
where: short stacking energy: -129.848
Base-Backbone interact. energy: -1.534
local terms energy: -230.160869
where:
bonds (distance) C4'-P energy: -56.546
bonds (distance) P-C4' energy: -68.185
flat angles C4'-P-C4' energy: -53.997
flat angles P-C4'-P energy: -30.289
tors. eta vs tors. theta energy: -21.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.094 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 200
Temperature: 1.350000
Total energy: -394.393920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.393920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -394.393920 (E_RNA)
where:
Base-Base interactions energy: -185.105
where: short stacking energy: -110.744
Base-Backbone interact. energy: 0.552
local terms energy: -209.841653
where:
bonds (distance) C4'-P energy: -61.098
bonds (distance) P-C4' energy: -60.966
flat angles C4'-P-C4' energy: -65.512
flat angles P-C4'-P energy: -39.275
tors. eta vs tors. theta energy: 17.009
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: 5
=====================================
Write number: 201
Temperature: 0.900000
Total energy: -1412.555566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1412.555566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1412.555566 (E_RNA)
where:
Base-Base interactions energy: -981.405
where: short stacking energy: -422.755
Base-Backbone interact. energy: -1.921
local terms energy: -429.229419
where:
bonds (distance) C4'-P energy: -83.132
bonds (distance) P-C4' energy: -79.912
flat angles C4'-P-C4' energy: -89.283
flat angles P-C4'-P energy: -59.428
tors. eta vs tors. theta energy: -117.474
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: 2, replica: 8
=====================================
Write number: 201
Temperature: 0.950000
Total energy: -1331.523422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1331.523422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1331.523422 (E_RNA)
where:
Base-Base interactions energy: -918.684
where: short stacking energy: -411.843
Base-Backbone interact. energy: -2.428
local terms energy: -410.411159
where:
bonds (distance) C4'-P energy: -68.946
bonds (distance) P-C4' energy: -72.592
flat angles C4'-P-C4' energy: -84.050
flat angles P-C4'-P energy: -61.641
tors. eta vs tors. theta energy: -123.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 201
Temperature: 1.000000
Total energy: -1272.009707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1272.009707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1272.009707 (E_RNA)
where:
Base-Base interactions energy: -873.410
where: short stacking energy: -375.014
Base-Backbone interact. energy: 1.856
local terms energy: -400.455329
where:
bonds (distance) C4'-P energy: -69.924
bonds (distance) P-C4' energy: -65.053
flat angles C4'-P-C4' energy: -85.223
flat angles P-C4'-P energy: -59.108
tors. eta vs tors. theta energy: -121.147
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: 4, replica: 6
=====================================
Write number: 201
Temperature: 1.050000
Total energy: -1236.741653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1236.741653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1236.741653 (E_RNA)
where:
Base-Base interactions energy: -855.618
where: short stacking energy: -344.576
Base-Backbone interact. energy: -0.918
local terms energy: -380.205334
where:
bonds (distance) C4'-P energy: -67.666
bonds (distance) P-C4' energy: -77.957
flat angles C4'-P-C4' energy: -88.388
flat angles P-C4'-P energy: -57.294
tors. eta vs tors. theta energy: -88.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 201
Temperature: 1.100000
Total energy: -1077.958851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1077.958851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1077.958851 (E_RNA)
where:
Base-Base interactions energy: -728.377
where: short stacking energy: -319.113
Base-Backbone interact. energy: 0.606
local terms energy: -350.187467
where:
bonds (distance) C4'-P energy: -71.353
bonds (distance) P-C4' energy: -76.583
flat angles C4'-P-C4' energy: -69.435
flat angles P-C4'-P energy: -51.092
tors. eta vs tors. theta energy: -81.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 201
Temperature: 1.150000
Total energy: -1072.116584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1072.116584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1072.116584 (E_RNA)
where:
Base-Base interactions energy: -721.593
where: short stacking energy: -321.245
Base-Backbone interact. energy: -0.446
local terms energy: -352.179336
where:
bonds (distance) C4'-P energy: -69.705
bonds (distance) P-C4' energy: -65.136
flat angles C4'-P-C4' energy: -67.064
flat angles P-C4'-P energy: -53.592
tors. eta vs tors. theta energy: -96.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 2.101 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 201
Temperature: 1.200000
Total energy: -913.922560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -913.922560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -913.922560 (E_RNA)
where:
Base-Base interactions energy: -598.482
where: short stacking energy: -261.669
Base-Backbone interact. energy: -0.020
local terms energy: -315.420910
where:
bonds (distance) C4'-P energy: -67.001
bonds (distance) P-C4' energy: -59.510
flat angles C4'-P-C4' energy: -70.972
flat angles P-C4'-P energy: -54.832
tors. eta vs tors. theta energy: -63.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 201
Temperature: 1.250000
Total energy: -749.596960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -749.596960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -749.596960 (E_RNA)
where:
Base-Base interactions energy: -464.127
where: short stacking energy: -209.806
Base-Backbone interact. energy: -1.039
local terms energy: -284.431411
where:
bonds (distance) C4'-P energy: -68.427
bonds (distance) P-C4' energy: -74.565
flat angles C4'-P-C4' energy: -65.575
flat angles P-C4'-P energy: -40.511
tors. eta vs tors. theta energy: -35.354
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: 10
=====================================
Write number: 201
Temperature: 1.300000
Total energy: -557.559142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.559142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.559142 (E_RNA)
where:
Base-Base interactions energy: -272.082
where: short stacking energy: -165.269
Base-Backbone interact. energy: -0.737
local terms energy: -284.740225
where:
bonds (distance) C4'-P energy: -68.442
bonds (distance) P-C4' energy: -75.343
flat angles C4'-P-C4' energy: -58.444
flat angles P-C4'-P energy: -43.383
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: 4
=====================================
Write number: 201
Temperature: 1.350000
Total energy: -448.938901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.938901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.938901 (E_RNA)
where:
Base-Base interactions energy: -243.043
where: short stacking energy: -139.359
Base-Backbone interact. energy: 3.132
local terms energy: -209.027853
where:
bonds (distance) C4'-P energy: -66.547
bonds (distance) P-C4' energy: -69.570
flat angles C4'-P-C4' energy: -50.180
flat angles P-C4'-P energy: -22.094
tors. eta vs tors. theta energy: -0.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 202
Temperature: 0.900000
Total energy: -1409.548884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1409.548884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1409.548884 (E_RNA)
where:
Base-Base interactions energy: -972.527
where: short stacking energy: -422.915
Base-Backbone interact. energy: -0.773
local terms energy: -436.249352
where:
bonds (distance) C4'-P energy: -81.626
bonds (distance) P-C4' energy: -77.917
flat angles C4'-P-C4' energy: -89.893
flat angles P-C4'-P energy: -65.203
tors. eta vs tors. theta energy: -121.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 202
Temperature: 0.950000
Total energy: -1335.281055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1335.281055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1335.281055 (E_RNA)
where:
Base-Base interactions energy: -927.892
where: short stacking energy: -418.846
Base-Backbone interact. energy: -1.540
local terms energy: -405.849675
where:
bonds (distance) C4'-P energy: -68.048
bonds (distance) P-C4' energy: -74.620
flat angles C4'-P-C4' energy: -86.577
flat angles P-C4'-P energy: -53.744
tors. eta vs tors. theta energy: -122.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 202
Temperature: 1.000000
Total energy: -1270.401111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1270.401111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1270.401111 (E_RNA)
where:
Base-Base interactions energy: -876.264
where: short stacking energy: -384.564
Base-Backbone interact. energy: 5.430
local terms energy: -399.569524
where:
bonds (distance) C4'-P energy: -69.493
bonds (distance) P-C4' energy: -78.409
flat angles C4'-P-C4' energy: -84.094
flat angles P-C4'-P energy: -54.613
tors. eta vs tors. theta energy: -112.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.002 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 202
Temperature: 1.050000
Total energy: -1203.993642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1203.993642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1203.993642 (E_RNA)
where:
Base-Base interactions energy: -836.693
where: short stacking energy: -344.988
Base-Backbone interact. energy: 1.545
local terms energy: -368.846398
where:
bonds (distance) C4'-P energy: -67.909
bonds (distance) P-C4' energy: -73.268
flat angles C4'-P-C4' energy: -78.117
flat angles P-C4'-P energy: -55.062
tors. eta vs tors. theta energy: -94.490
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: 5, replica: 7
=====================================
Write number: 202
Temperature: 1.100000
Total energy: -1098.341519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1098.341519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1098.341519 (E_RNA)
where:
Base-Base interactions energy: -732.808
where: short stacking energy: -332.005
Base-Backbone interact. energy: -1.831
local terms energy: -363.701698
where:
bonds (distance) C4'-P energy: -68.934
bonds (distance) P-C4' energy: -70.368
flat angles C4'-P-C4' energy: -86.152
flat angles P-C4'-P energy: -43.829
tors. eta vs tors. theta energy: -94.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 202
Temperature: 1.150000
Total energy: -999.459967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -999.459967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -999.459967 (E_RNA)
where:
Base-Base interactions energy: -671.168
where: short stacking energy: -294.889
Base-Backbone interact. energy: -1.541
local terms energy: -326.750845
where:
bonds (distance) C4'-P energy: -61.106
bonds (distance) P-C4' energy: -64.548
flat angles C4'-P-C4' energy: -70.738
flat angles P-C4'-P energy: -45.516
tors. eta vs tors. theta energy: -84.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 202
Temperature: 1.200000
Total energy: -952.052447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -952.052447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -952.052447 (E_RNA)
where:
Base-Base interactions energy: -659.396
where: short stacking energy: -281.929
Base-Backbone interact. energy: -2.894
local terms energy: -289.763051
where:
bonds (distance) C4'-P energy: -58.622
bonds (distance) P-C4' energy: -63.315
flat angles C4'-P-C4' energy: -61.556
flat angles P-C4'-P energy: -43.106
tors. eta vs tors. theta energy: -63.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 202
Temperature: 1.250000
Total energy: -798.398971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -798.398971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -798.398971 (E_RNA)
where:
Base-Base interactions energy: -510.361
where: short stacking energy: -233.718
Base-Backbone interact. energy: 1.350
local terms energy: -289.387944
where:
bonds (distance) C4'-P energy: -54.131
bonds (distance) P-C4' energy: -65.667
flat angles C4'-P-C4' energy: -74.936
flat angles P-C4'-P energy: -52.484
tors. eta vs tors. theta energy: -42.170
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: 10
=====================================
Write number: 202
Temperature: 1.300000
Total energy: -591.525515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -591.525515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -591.525515 (E_RNA)
where:
Base-Base interactions energy: -352.093
where: short stacking energy: -164.972
Base-Backbone interact. energy: 0.539
local terms energy: -239.972230
where:
bonds (distance) C4'-P energy: -63.271
bonds (distance) P-C4' energy: -63.676
flat angles C4'-P-C4' energy: -45.406
flat angles P-C4'-P energy: -39.438
tors. eta vs tors. theta energy: -28.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 202
Temperature: 1.350000
Total energy: -464.581233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -464.581233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -464.581233 (E_RNA)
where:
Base-Base interactions energy: -228.682
where: short stacking energy: -123.414
Base-Backbone interact. energy: -2.623
local terms energy: -233.337647
where:
bonds (distance) C4'-P energy: -66.965
bonds (distance) P-C4' energy: -69.660
flat angles C4'-P-C4' energy: -56.367
flat angles P-C4'-P energy: -43.123
tors. eta vs tors. theta energy: 2.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.061 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 203
Temperature: 0.900000
Total energy: -1402.816966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1402.816966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1402.816966 (E_RNA)
where:
Base-Base interactions energy: -972.694
where: short stacking energy: -412.854
Base-Backbone interact. energy: -1.905
local terms energy: -428.218113
where:
bonds (distance) C4'-P energy: -81.480
bonds (distance) P-C4' energy: -72.120
flat angles C4'-P-C4' energy: -85.769
flat angles P-C4'-P energy: -65.379
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: 2, replica: 3
=====================================
Write number: 203
Temperature: 0.950000
Total energy: -1323.337401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1323.337401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1323.337401 (E_RNA)
where:
Base-Base interactions energy: -906.068
where: short stacking energy: -416.933
Base-Backbone interact. energy: -1.939
local terms energy: -415.330230
where:
bonds (distance) C4'-P energy: -70.129
bonds (distance) P-C4' energy: -79.015
flat angles C4'-P-C4' energy: -91.663
flat angles P-C4'-P energy: -46.607
tors. eta vs tors. theta energy: -127.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 203
Temperature: 1.000000
Total energy: -1313.106603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1313.106603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1313.106603 (E_RNA)
where:
Base-Base interactions energy: -910.915
where: short stacking energy: -392.749
Base-Backbone interact. energy: -1.255
local terms energy: -400.936309
where:
bonds (distance) C4'-P energy: -61.535
bonds (distance) P-C4' energy: -74.588
flat angles C4'-P-C4' energy: -82.231
flat angles P-C4'-P energy: -60.656
tors. eta vs tors. theta energy: -121.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 203
Temperature: 1.050000
Total energy: -1214.300750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1214.300750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1214.300750 (E_RNA)
where:
Base-Base interactions energy: -855.846
where: short stacking energy: -342.402
Base-Backbone interact. energy: 4.962
local terms energy: -363.417301
where:
bonds (distance) C4'-P energy: -70.294
bonds (distance) P-C4' energy: -75.471
flat angles C4'-P-C4' energy: -79.735
flat angles P-C4'-P energy: -57.640
tors. eta vs tors. theta energy: -80.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 203
Temperature: 1.100000
Total energy: -1106.597059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1106.597059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1106.597059 (E_RNA)
where:
Base-Base interactions energy: -754.498
where: short stacking energy: -343.391
Base-Backbone interact. energy: 1.129
local terms energy: -353.227451
where:
bonds (distance) C4'-P energy: -59.437
bonds (distance) P-C4' energy: -72.363
flat angles C4'-P-C4' energy: -76.766
flat angles P-C4'-P energy: -53.702
tors. eta vs tors. theta energy: -90.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 203
Temperature: 1.150000
Total energy: -986.166692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -986.166692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -986.166692 (E_RNA)
where:
Base-Base interactions energy: -660.179
where: short stacking energy: -262.415
Base-Backbone interact. energy: -1.427
local terms energy: -324.560881
where:
bonds (distance) C4'-P energy: -71.034
bonds (distance) P-C4' energy: -77.329
flat angles C4'-P-C4' energy: -61.527
flat angles P-C4'-P energy: -44.871
tors. eta vs tors. theta energy: -69.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 203
Temperature: 1.200000
Total energy: -1005.917194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1005.917194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1005.917194 (E_RNA)
where:
Base-Base interactions energy: -686.144
where: short stacking energy: -303.173
Base-Backbone interact. energy: 1.769
local terms energy: -321.542328
where:
bonds (distance) C4'-P energy: -59.218
bonds (distance) P-C4' energy: -64.802
flat angles C4'-P-C4' energy: -72.480
flat angles P-C4'-P energy: -51.582
tors. eta vs tors. theta energy: -73.461
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: 1
=====================================
Write number: 203
Temperature: 1.250000
Total energy: -778.433029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -778.433029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -778.433029 (E_RNA)
where:
Base-Base interactions energy: -480.072
where: short stacking energy: -218.884
Base-Backbone interact. energy: -0.919
local terms energy: -297.442041
where:
bonds (distance) C4'-P energy: -65.049
bonds (distance) P-C4' energy: -70.989
flat angles C4'-P-C4' energy: -58.415
flat angles P-C4'-P energy: -53.542
tors. eta vs tors. theta energy: -49.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 203
Temperature: 1.300000
Total energy: -592.197341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -592.197341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -592.197341 (E_RNA)
where:
Base-Base interactions energy: -328.231
where: short stacking energy: -178.888
Base-Backbone interact. energy: -1.699
local terms energy: -262.267059
where:
bonds (distance) C4'-P energy: -61.409
bonds (distance) P-C4' energy: -69.682
flat angles C4'-P-C4' energy: -59.324
flat angles P-C4'-P energy: -43.167
tors. eta vs tors. theta energy: -28.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 203
Temperature: 1.350000
Total energy: -464.699718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -464.699718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -464.699718 (E_RNA)
where:
Base-Base interactions energy: -240.905
where: short stacking energy: -132.329
Base-Backbone interact. energy: -1.297
local terms energy: -222.496897
where:
bonds (distance) C4'-P energy: -57.652
bonds (distance) P-C4' energy: -68.762
flat angles C4'-P-C4' energy: -50.191
flat angles P-C4'-P energy: -33.012
tors. eta vs tors. theta energy: -12.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 204
Temperature: 0.900000
Total energy: -1396.299967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1396.299967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1396.299967 (E_RNA)
where:
Base-Base interactions energy: -969.801
where: short stacking energy: -407.198
Base-Backbone interact. energy: -2.884
local terms energy: -423.615763
where:
bonds (distance) C4'-P energy: -71.459
bonds (distance) P-C4' energy: -82.345
flat angles C4'-P-C4' energy: -85.432
flat angles P-C4'-P energy: -64.287
tors. eta vs tors. theta energy: -120.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 204
Temperature: 0.950000
Total energy: -1308.104751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1308.104751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1308.104751 (E_RNA)
where:
Base-Base interactions energy: -908.132
where: short stacking energy: -392.555
Base-Backbone interact. energy: -4.462
local terms energy: -395.510486
where:
bonds (distance) C4'-P energy: -67.361
bonds (distance) P-C4' energy: -73.942
flat angles C4'-P-C4' energy: -82.999
flat angles P-C4'-P energy: -50.253
tors. eta vs tors. theta energy: -120.956
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: 8
=====================================
Write number: 204
Temperature: 1.000000
Total energy: -1317.650031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1317.650031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1317.650031 (E_RNA)
where:
Base-Base interactions energy: -911.577
where: short stacking energy: -387.988
Base-Backbone interact. energy: -3.734
local terms energy: -402.339437
where:
bonds (distance) C4'-P energy: -73.633
bonds (distance) P-C4' energy: -73.482
flat angles C4'-P-C4' energy: -87.613
flat angles P-C4'-P energy: -51.184
tors. eta vs tors. theta energy: -116.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 204
Temperature: 1.050000
Total energy: -1218.314642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1218.314642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1218.314642 (E_RNA)
where:
Base-Base interactions energy: -849.558
where: short stacking energy: -338.129
Base-Backbone interact. energy: -2.184
local terms energy: -366.572500
where:
bonds (distance) C4'-P energy: -72.427
bonds (distance) P-C4' energy: -69.886
flat angles C4'-P-C4' energy: -75.537
flat angles P-C4'-P energy: -53.733
tors. eta vs tors. theta energy: -94.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 204
Temperature: 1.100000
Total energy: -1128.674873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1128.674873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1128.674873 (E_RNA)
where:
Base-Base interactions energy: -757.775
where: short stacking energy: -336.059
Base-Backbone interact. energy: -0.547
local terms energy: -370.352849
where:
bonds (distance) C4'-P energy: -68.471
bonds (distance) P-C4' energy: -63.508
flat angles C4'-P-C4' energy: -82.012
flat angles P-C4'-P energy: -57.916
tors. eta vs tors. theta energy: -98.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 204
Temperature: 1.150000
Total energy: -908.918269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -908.918269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -908.918269 (E_RNA)
where:
Base-Base interactions energy: -588.208
where: short stacking energy: -265.626
Base-Backbone interact. energy: -0.247
local terms energy: -320.462906
where:
bonds (distance) C4'-P energy: -50.095
bonds (distance) P-C4' energy: -64.686
flat angles C4'-P-C4' energy: -86.133
flat angles P-C4'-P energy: -52.438
tors. eta vs tors. theta energy: -67.111
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: 7, replica: 2
=====================================
Write number: 204
Temperature: 1.200000
Total energy: -1009.125844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1009.125844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1009.125844 (E_RNA)
where:
Base-Base interactions energy: -676.018
where: short stacking energy: -297.302
Base-Backbone interact. energy: -0.302
local terms energy: -332.804877
where:
bonds (distance) C4'-P energy: -57.542
bonds (distance) P-C4' energy: -63.079
flat angles C4'-P-C4' energy: -83.634
flat angles P-C4'-P energy: -51.592
tors. eta vs tors. theta energy: -76.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 204
Temperature: 1.250000
Total energy: -791.655100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -791.655100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -791.655100 (E_RNA)
where:
Base-Base interactions energy: -511.010
where: short stacking energy: -227.498
Base-Backbone interact. energy: -0.238
local terms energy: -280.407919
where:
bonds (distance) C4'-P energy: -58.236
bonds (distance) P-C4' energy: -70.588
flat angles C4'-P-C4' energy: -63.474
flat angles P-C4'-P energy: -40.751
tors. eta vs tors. theta energy: -47.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 204
Temperature: 1.300000
Total energy: -607.789059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -607.789059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -607.789059 (E_RNA)
where:
Base-Base interactions energy: -378.801
where: short stacking energy: -183.696
Base-Backbone interact. energy: 2.025
local terms energy: -231.013151
where:
bonds (distance) C4'-P energy: -57.490
bonds (distance) P-C4' energy: -61.720
flat angles C4'-P-C4' energy: -55.596
flat angles P-C4'-P energy: -37.501
tors. eta vs tors. theta energy: -18.706
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: 4
=====================================
Write number: 204
Temperature: 1.350000
Total energy: -523.745154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.745154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.745154 (E_RNA)
where:
Base-Base interactions energy: -307.627
where: short stacking energy: -160.045
Base-Backbone interact. energy: -1.010
local terms energy: -215.108267
where:
bonds (distance) C4'-P energy: -58.428
bonds (distance) P-C4' energy: -50.410
flat angles C4'-P-C4' energy: -52.093
flat angles P-C4'-P energy: -38.412
tors. eta vs tors. theta energy: -15.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 205
Temperature: 0.900000
Total energy: -1411.081615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1411.081615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1411.081615 (E_RNA)
where:
Base-Base interactions energy: -981.336
where: short stacking energy: -412.539
Base-Backbone interact. energy: -2.769
local terms energy: -426.976514
where:
bonds (distance) C4'-P energy: -75.121
bonds (distance) P-C4' energy: -80.793
flat angles C4'-P-C4' energy: -86.664
flat angles P-C4'-P energy: -61.594
tors. eta vs tors. theta energy: -122.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 205
Temperature: 0.950000
Total energy: -1302.735630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1302.735630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1302.735630 (E_RNA)
where:
Base-Base interactions energy: -904.077
where: short stacking energy: -401.153
Base-Backbone interact. energy: -0.095
local terms energy: -398.563292
where:
bonds (distance) C4'-P energy: -59.416
bonds (distance) P-C4' energy: -72.446
flat angles C4'-P-C4' energy: -79.823
flat angles P-C4'-P energy: -70.641
tors. eta vs tors. theta energy: -116.236
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: 8
=====================================
Write number: 205
Temperature: 1.000000
Total energy: -1298.504951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1298.504951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1298.504951 (E_RNA)
where:
Base-Base interactions energy: -909.102
where: short stacking energy: -398.801
Base-Backbone interact. energy: -0.670
local terms energy: -388.732695
where:
bonds (distance) C4'-P energy: -70.354
bonds (distance) P-C4' energy: -67.915
flat angles C4'-P-C4' energy: -78.794
flat angles P-C4'-P energy: -55.323
tors. eta vs tors. theta energy: -116.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 205
Temperature: 1.050000
Total energy: -1246.436713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1246.436713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1246.436713 (E_RNA)
where:
Base-Base interactions energy: -865.215
where: short stacking energy: -345.217
Base-Backbone interact. energy: -2.194
local terms energy: -379.027811
where:
bonds (distance) C4'-P energy: -66.495
bonds (distance) P-C4' energy: -77.641
flat angles C4'-P-C4' energy: -79.247
flat angles P-C4'-P energy: -57.242
tors. eta vs tors. theta energy: -98.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 205
Temperature: 1.100000
Total energy: -1148.986855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1148.986855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1148.986855 (E_RNA)
where:
Base-Base interactions energy: -745.253
where: short stacking energy: -332.095
Base-Backbone interact. energy: -1.696
local terms energy: -402.037997
where:
bonds (distance) C4'-P energy: -81.821
bonds (distance) P-C4' energy: -70.837
flat angles C4'-P-C4' energy: -85.407
flat angles P-C4'-P energy: -58.809
tors. eta vs tors. theta energy: -105.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 205
Temperature: 1.150000
Total energy: -1039.818513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1039.818513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1039.818513 (E_RNA)
where:
Base-Base interactions energy: -716.396
where: short stacking energy: -309.379
Base-Backbone interact. energy: -2.979
local terms energy: -320.443457
where:
bonds (distance) C4'-P energy: -66.282
bonds (distance) P-C4' energy: -58.085
flat angles C4'-P-C4' energy: -71.517
flat angles P-C4'-P energy: -49.524
tors. eta vs tors. theta energy: -75.036
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: 7, replica: 9
=====================================
Write number: 205
Temperature: 1.200000
Total energy: -956.828886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -956.828886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -956.828886 (E_RNA)
where:
Base-Base interactions energy: -644.644
where: short stacking energy: -284.059
Base-Backbone interact. energy: 0.956
local terms energy: -313.140567
where:
bonds (distance) C4'-P energy: -66.760
bonds (distance) P-C4' energy: -64.046
flat angles C4'-P-C4' energy: -74.695
flat angles P-C4'-P energy: -45.421
tors. eta vs tors. theta energy: -62.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 205
Temperature: 1.250000
Total energy: -796.467228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -796.467228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -796.467228 (E_RNA)
where:
Base-Base interactions energy: -485.598
where: short stacking energy: -238.134
Base-Backbone interact. energy: 0.134
local terms energy: -311.003109
where:
bonds (distance) C4'-P energy: -75.109
bonds (distance) P-C4' energy: -78.288
flat angles C4'-P-C4' energy: -61.688
flat angles P-C4'-P energy: -43.707
tors. eta vs tors. theta energy: -52.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 205
Temperature: 1.300000
Total energy: -603.521652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -603.521652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -603.521652 (E_RNA)
where:
Base-Base interactions energy: -373.515
where: short stacking energy: -181.894
Base-Backbone interact. energy: -0.145
local terms energy: -229.861858
where:
bonds (distance) C4'-P energy: -65.446
bonds (distance) P-C4' energy: -57.932
flat angles C4'-P-C4' energy: -56.756
flat angles P-C4'-P energy: -31.181
tors. eta vs tors. theta energy: -18.547
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: 4
=====================================
Write number: 205
Temperature: 1.350000
Total energy: -509.788989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.788989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.788989 (E_RNA)
where:
Base-Base interactions energy: -277.846
where: short stacking energy: -155.539
Base-Backbone interact. energy: -1.456
local terms energy: -230.487311
where:
bonds (distance) C4'-P energy: -74.389
bonds (distance) P-C4' energy: -68.212
flat angles C4'-P-C4' energy: -51.524
flat angles P-C4'-P energy: -34.443
tors. eta vs tors. theta energy: -1.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 206
Temperature: 0.900000
Total energy: -1413.578797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1413.578797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1413.578797 (E_RNA)
where:
Base-Base interactions energy: -976.648
where: short stacking energy: -420.096
Base-Backbone interact. energy: -2.143
local terms energy: -434.787770
where:
bonds (distance) C4'-P energy: -85.477
bonds (distance) P-C4' energy: -77.861
flat angles C4'-P-C4' energy: -84.444
flat angles P-C4'-P energy: -61.332
tors. eta vs tors. theta energy: -125.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 206
Temperature: 0.950000
Total energy: -1313.931576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1313.931576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1313.931576 (E_RNA)
where:
Base-Base interactions energy: -915.594
where: short stacking energy: -384.550
Base-Backbone interact. energy: -0.708
local terms energy: -397.629369
where:
bonds (distance) C4'-P energy: -73.429
bonds (distance) P-C4' energy: -71.633
flat angles C4'-P-C4' energy: -78.549
flat angles P-C4'-P energy: -59.626
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: 3, replica: 8
=====================================
Write number: 206
Temperature: 1.000000
Total energy: -1316.091306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1316.091306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1316.091306 (E_RNA)
where:
Base-Base interactions energy: -927.822
where: short stacking energy: -404.752
Base-Backbone interact. energy: -1.229
local terms energy: -387.040202
where:
bonds (distance) C4'-P energy: -68.464
bonds (distance) P-C4' energy: -52.048
flat angles C4'-P-C4' energy: -85.450
flat angles P-C4'-P energy: -57.544
tors. eta vs tors. theta energy: -123.534
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: 4, replica: 6
=====================================
Write number: 206
Temperature: 1.050000
Total energy: -1248.862664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1248.862664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1248.862664 (E_RNA)
where:
Base-Base interactions energy: -909.052
where: short stacking energy: -360.781
Base-Backbone interact. energy: -0.277
local terms energy: -339.533554
where:
bonds (distance) C4'-P energy: -55.860
bonds (distance) P-C4' energy: -61.715
flat angles C4'-P-C4' energy: -79.565
flat angles P-C4'-P energy: -53.238
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: 5, replica: 7
=====================================
Write number: 206
Temperature: 1.100000
Total energy: -1138.321300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1138.321300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1138.321300 (E_RNA)
where:
Base-Base interactions energy: -772.447
where: short stacking energy: -354.177
Base-Backbone interact. energy: 1.923
local terms energy: -367.797677
where:
bonds (distance) C4'-P energy: -67.524
bonds (distance) P-C4' energy: -68.800
flat angles C4'-P-C4' energy: -77.192
flat angles P-C4'-P energy: -41.252
tors. eta vs tors. theta energy: -113.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 206
Temperature: 1.150000
Total energy: -1000.234338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1000.234338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1000.234338 (E_RNA)
where:
Base-Base interactions energy: -680.885
where: short stacking energy: -298.086
Base-Backbone interact. energy: 4.668
local terms energy: -324.016843
where:
bonds (distance) C4'-P energy: -76.067
bonds (distance) P-C4' energy: -66.406
flat angles C4'-P-C4' energy: -68.363
flat angles P-C4'-P energy: -42.155
tors. eta vs tors. theta energy: -71.025
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: 9
=====================================
Write number: 206
Temperature: 1.200000
Total energy: -979.807785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -979.807785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -979.807785 (E_RNA)
where:
Base-Base interactions energy: -650.844
where: short stacking energy: -291.865
Base-Backbone interact. energy: -1.056
local terms energy: -327.908318
where:
bonds (distance) C4'-P energy: -63.087
bonds (distance) P-C4' energy: -73.574
flat angles C4'-P-C4' energy: -71.760
flat angles P-C4'-P energy: -43.183
tors. eta vs tors. theta energy: -76.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 206
Temperature: 1.250000
Total energy: -765.047910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -765.047910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -765.047910 (E_RNA)
where:
Base-Base interactions energy: -473.612
where: short stacking energy: -225.888
Base-Backbone interact. energy: -2.913
local terms energy: -288.522607
where:
bonds (distance) C4'-P energy: -62.574
bonds (distance) P-C4' energy: -63.899
flat angles C4'-P-C4' energy: -65.552
flat angles P-C4'-P energy: -53.434
tors. eta vs tors. theta energy: -43.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 206
Temperature: 1.300000
Total energy: -584.560189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -584.560189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -584.560189 (E_RNA)
where:
Base-Base interactions energy: -328.987
where: short stacking energy: -161.116
Base-Backbone interact. energy: -1.771
local terms energy: -253.801657
where:
bonds (distance) C4'-P energy: -64.000
bonds (distance) P-C4' energy: -58.928
flat angles C4'-P-C4' energy: -62.146
flat angles P-C4'-P energy: -44.104
tors. eta vs tors. theta energy: -24.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 206
Temperature: 1.350000
Total energy: -490.318807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.318807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.318807 (E_RNA)
where:
Base-Base interactions energy: -275.214
where: short stacking energy: -151.078
Base-Backbone interact. energy: 0.677
local terms energy: -215.781867
where:
bonds (distance) C4'-P energy: -52.169
bonds (distance) P-C4' energy: -68.397
flat angles C4'-P-C4' energy: -47.178
flat angles P-C4'-P energy: -36.482
tors. eta vs tors. theta energy: -11.555
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: 5
=====================================
Write number: 207
Temperature: 0.900000
Total energy: -1384.978470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1384.978470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1384.978470 (E_RNA)
where:
Base-Base interactions energy: -958.165
where: short stacking energy: -410.063
Base-Backbone interact. energy: -0.949
local terms energy: -425.864570
where:
bonds (distance) C4'-P energy: -74.249
bonds (distance) P-C4' energy: -79.603
flat angles C4'-P-C4' energy: -91.566
flat angles P-C4'-P energy: -63.663
tors. eta vs tors. theta energy: -116.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 207
Temperature: 0.950000
Total energy: -1347.447202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1347.447202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1347.447202 (E_RNA)
where:
Base-Base interactions energy: -940.016
where: short stacking energy: -400.225
Base-Backbone interact. energy: -0.748
local terms energy: -406.682518
where:
bonds (distance) C4'-P energy: -59.600
bonds (distance) P-C4' energy: -82.482
flat angles C4'-P-C4' energy: -87.004
flat angles P-C4'-P energy: -53.516
tors. eta vs tors. theta energy: -124.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 207
Temperature: 1.000000
Total energy: -1267.959311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1267.959311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1267.959311 (E_RNA)
where:
Base-Base interactions energy: -885.864
where: short stacking energy: -391.532
Base-Backbone interact. energy: 7.883
local terms energy: -389.978993
where:
bonds (distance) C4'-P energy: -76.716
bonds (distance) P-C4' energy: -73.710
flat angles C4'-P-C4' energy: -75.671
flat angles P-C4'-P energy: -57.655
tors. eta vs tors. theta energy: -106.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 207
Temperature: 1.050000
Total energy: -1231.589134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1231.589134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1231.589134 (E_RNA)
where:
Base-Base interactions energy: -879.167
where: short stacking energy: -349.640
Base-Backbone interact. energy: -2.674
local terms energy: -349.747782
where:
bonds (distance) C4'-P energy: -61.625
bonds (distance) P-C4' energy: -64.975
flat angles C4'-P-C4' energy: -77.390
flat angles P-C4'-P energy: -45.148
tors. eta vs tors. theta energy: -100.609
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: 5, replica: 7
=====================================
Write number: 207
Temperature: 1.100000
Total energy: -1152.468979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1152.468979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1152.468979 (E_RNA)
where:
Base-Base interactions energy: -785.027
where: short stacking energy: -352.046
Base-Backbone interact. energy: -2.802
local terms energy: -364.640239
where:
bonds (distance) C4'-P energy: -62.102
bonds (distance) P-C4' energy: -63.663
flat angles C4'-P-C4' energy: -79.206
flat angles P-C4'-P energy: -53.374
tors. eta vs tors. theta energy: -106.295
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: 2
=====================================
Write number: 207
Temperature: 1.150000
Total energy: -967.444104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -967.444104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -967.444104 (E_RNA)
where:
Base-Base interactions energy: -653.217
where: short stacking energy: -290.534
Base-Backbone interact. energy: 3.458
local terms energy: -317.685097
where:
bonds (distance) C4'-P energy: -63.857
bonds (distance) P-C4' energy: -76.680
flat angles C4'-P-C4' energy: -64.881
flat angles P-C4'-P energy: -43.114
tors. eta vs tors. theta energy: -69.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 207
Temperature: 1.200000
Total energy: -967.406711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -967.406711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -967.406711 (E_RNA)
where:
Base-Base interactions energy: -645.198
where: short stacking energy: -290.484
Base-Backbone interact. energy: -0.569
local terms energy: -321.639267
where:
bonds (distance) C4'-P energy: -55.077
bonds (distance) P-C4' energy: -63.745
flat angles C4'-P-C4' energy: -71.221
flat angles P-C4'-P energy: -55.111
tors. eta vs tors. theta energy: -76.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 207
Temperature: 1.250000
Total energy: -828.818724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -828.818724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -828.818724 (E_RNA)
where:
Base-Base interactions energy: -544.694
where: short stacking energy: -236.230
Base-Backbone interact. energy: -1.065
local terms energy: -283.656970
where:
bonds (distance) C4'-P energy: -62.121
bonds (distance) P-C4' energy: -64.160
flat angles C4'-P-C4' energy: -68.389
flat angles P-C4'-P energy: -39.128
tors. eta vs tors. theta energy: -49.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.598 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 207
Temperature: 1.300000
Total energy: -633.268035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -633.268035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -633.268035 (E_RNA)
where:
Base-Base interactions energy: -395.719
where: short stacking energy: -182.277
Base-Backbone interact. energy: -0.254
local terms energy: -237.295280
where:
bonds (distance) C4'-P energy: -60.362
bonds (distance) P-C4' energy: -74.546
flat angles C4'-P-C4' energy: -55.975
flat angles P-C4'-P energy: -33.098
tors. eta vs tors. theta energy: -13.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 207
Temperature: 1.350000
Total energy: -501.374307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.374307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.374307 (E_RNA)
where:
Base-Base interactions energy: -295.207
where: short stacking energy: -145.197
Base-Backbone interact. energy: -0.486
local terms energy: -205.681520
where:
bonds (distance) C4'-P energy: -47.009
bonds (distance) P-C4' energy: -48.597
flat angles C4'-P-C4' energy: -54.134
flat angles P-C4'-P energy: -39.609
tors. eta vs tors. theta energy: -16.332
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: 5
=====================================
Write number: 208
Temperature: 0.900000
Total energy: -1382.609730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1382.609730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1382.609730 (E_RNA)
where:
Base-Base interactions energy: -978.324
where: short stacking energy: -395.245
Base-Backbone interact. energy: -3.148
local terms energy: -401.137142
where:
bonds (distance) C4'-P energy: -73.403
bonds (distance) P-C4' energy: -73.179
flat angles C4'-P-C4' energy: -82.681
flat angles P-C4'-P energy: -57.916
tors. eta vs tors. theta energy: -113.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 208
Temperature: 0.950000
Total energy: -1329.731951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1329.731951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1329.731951 (E_RNA)
where:
Base-Base interactions energy: -908.050
where: short stacking energy: -400.843
Base-Backbone interact. energy: -1.700
local terms energy: -419.981736
where:
bonds (distance) C4'-P energy: -74.496
bonds (distance) P-C4' energy: -80.097
flat angles C4'-P-C4' energy: -84.035
flat angles P-C4'-P energy: -57.561
tors. eta vs tors. theta energy: -123.794
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: 3, replica: 3
=====================================
Write number: 208
Temperature: 1.000000
Total energy: -1268.775892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1268.775892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1268.775892 (E_RNA)
where:
Base-Base interactions energy: -893.895
where: short stacking energy: -361.391
Base-Backbone interact. energy: 2.889
local terms energy: -377.770509
where:
bonds (distance) C4'-P energy: -66.413
bonds (distance) P-C4' energy: -62.909
flat angles C4'-P-C4' energy: -80.279
flat angles P-C4'-P energy: -58.929
tors. eta vs tors. theta energy: -109.239
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: 4, replica: 6
=====================================
Write number: 208
Temperature: 1.050000
Total energy: -1262.253527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1262.253527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1262.253527 (E_RNA)
where:
Base-Base interactions energy: -869.772
where: short stacking energy: -354.644
Base-Backbone interact. energy: -5.365
local terms energy: -387.116662
where:
bonds (distance) C4'-P energy: -71.926
bonds (distance) P-C4' energy: -80.212
flat angles C4'-P-C4' energy: -82.156
flat angles P-C4'-P energy: -54.419
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: 5, replica: 7
=====================================
Write number: 208
Temperature: 1.100000
Total energy: -1124.199752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1124.199752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1124.199752 (E_RNA)
where:
Base-Base interactions energy: -769.116
where: short stacking energy: -349.148
Base-Backbone interact. energy: -1.452
local terms energy: -353.632069
where:
bonds (distance) C4'-P energy: -55.586
bonds (distance) P-C4' energy: -74.106
flat angles C4'-P-C4' energy: -83.380
flat angles P-C4'-P energy: -48.740
tors. eta vs tors. theta energy: -91.820
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: 208
Temperature: 1.150000
Total energy: -978.850858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -978.850858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -978.850858 (E_RNA)
where:
Base-Base interactions energy: -649.496
where: short stacking energy: -270.934
Base-Backbone interact. energy: 2.879
local terms energy: -332.233711
where:
bonds (distance) C4'-P energy: -79.205
bonds (distance) P-C4' energy: -74.954
flat angles C4'-P-C4' energy: -73.156
flat angles P-C4'-P energy: -39.931
tors. eta vs tors. theta energy: -64.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 208
Temperature: 1.200000
Total energy: -935.616043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -935.616043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -935.616043 (E_RNA)
where:
Base-Base interactions energy: -628.784
where: short stacking energy: -269.305
Base-Backbone interact. energy: -1.750
local terms energy: -305.081618
where:
bonds (distance) C4'-P energy: -72.455
bonds (distance) P-C4' energy: -59.636
flat angles C4'-P-C4' energy: -80.905
flat angles P-C4'-P energy: -40.177
tors. eta vs tors. theta energy: -51.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 208
Temperature: 1.250000
Total energy: -802.496559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -802.496559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -802.496559 (E_RNA)
where:
Base-Base interactions energy: -504.981
where: short stacking energy: -249.521
Base-Backbone interact. energy: -2.259
local terms energy: -295.256792
where:
bonds (distance) C4'-P energy: -54.484
bonds (distance) P-C4' energy: -73.691
flat angles C4'-P-C4' energy: -71.379
flat angles P-C4'-P energy: -36.003
tors. eta vs tors. theta energy: -59.700
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: 10
=====================================
Write number: 208
Temperature: 1.300000
Total energy: -631.248451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -631.248451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -631.248451 (E_RNA)
where:
Base-Base interactions energy: -379.095
where: short stacking energy: -196.001
Base-Backbone interact. energy: 0.812
local terms energy: -252.965075
where:
bonds (distance) C4'-P energy: -60.240
bonds (distance) P-C4' energy: -52.901
flat angles C4'-P-C4' energy: -63.589
flat angles P-C4'-P energy: -36.047
tors. eta vs tors. theta energy: -40.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 208
Temperature: 1.350000
Total energy: -507.413148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.413148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.413148 (E_RNA)
where:
Base-Base interactions energy: -273.978
where: short stacking energy: -145.416
Base-Backbone interact. energy: 4.574
local terms energy: -238.009124
where:
bonds (distance) C4'-P energy: -63.241
bonds (distance) P-C4' energy: -70.165
flat angles C4'-P-C4' energy: -44.327
flat angles P-C4'-P energy: -40.479
tors. eta vs tors. theta energy: -19.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 209
Temperature: 0.900000
Total energy: -1379.829622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1379.829622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1379.829622 (E_RNA)
where:
Base-Base interactions energy: -966.821
where: short stacking energy: -399.845
Base-Backbone interact. energy: 0.324
local terms energy: -413.332859
where:
bonds (distance) C4'-P energy: -82.012
bonds (distance) P-C4' energy: -73.599
flat angles C4'-P-C4' energy: -79.491
flat angles P-C4'-P energy: -56.187
tors. eta vs tors. theta energy: -122.044
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: 8
=====================================
Write number: 209
Temperature: 0.950000
Total energy: -1367.747155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1367.747155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1367.747155 (E_RNA)
where:
Base-Base interactions energy: -927.906
where: short stacking energy: -406.401
Base-Backbone interact. energy: 0.643
local terms energy: -441.320726
where:
bonds (distance) C4'-P energy: -85.883
bonds (distance) P-C4' energy: -80.413
flat angles C4'-P-C4' energy: -87.426
flat angles P-C4'-P energy: -62.949
tors. eta vs tors. theta energy: -124.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.837 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 209
Temperature: 1.000000
Total energy: -1286.917592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1286.917592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1286.917592 (E_RNA)
where:
Base-Base interactions energy: -903.268
where: short stacking energy: -376.912
Base-Backbone interact. energy: -2.339
local terms energy: -381.310085
where:
bonds (distance) C4'-P energy: -66.929
bonds (distance) P-C4' energy: -73.222
flat angles C4'-P-C4' energy: -77.336
flat angles P-C4'-P energy: -62.098
tors. eta vs tors. theta energy: -101.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 209
Temperature: 1.050000
Total energy: -1238.308821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1238.308821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1238.308821 (E_RNA)
where:
Base-Base interactions energy: -859.035
where: short stacking energy: -346.029
Base-Backbone interact. energy: -3.637
local terms energy: -375.636998
where:
bonds (distance) C4'-P energy: -73.977
bonds (distance) P-C4' energy: -77.206
flat angles C4'-P-C4' energy: -79.581
flat angles P-C4'-P energy: -55.696
tors. eta vs tors. theta energy: -89.177
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: 7
=====================================
Write number: 209
Temperature: 1.100000
Total energy: -1109.478430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1109.478430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1109.478430 (E_RNA)
where:
Base-Base interactions energy: -762.632
where: short stacking energy: -340.822
Base-Backbone interact. energy: -1.869
local terms energy: -344.977557
where:
bonds (distance) C4'-P energy: -67.561
bonds (distance) P-C4' energy: -70.010
flat angles C4'-P-C4' energy: -56.761
flat angles P-C4'-P energy: -52.681
tors. eta vs tors. theta energy: -97.965
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: 6, replica: 2
=====================================
Write number: 209
Temperature: 1.150000
Total energy: -962.095774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -962.095774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -962.095774 (E_RNA)
where:
Base-Base interactions energy: -653.724
where: short stacking energy: -270.303
Base-Backbone interact. energy: -2.173
local terms energy: -306.198693
where:
bonds (distance) C4'-P energy: -65.844
bonds (distance) P-C4' energy: -61.706
flat angles C4'-P-C4' energy: -64.955
flat angles P-C4'-P energy: -53.016
tors. eta vs tors. theta energy: -60.678
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: 9
=====================================
Write number: 209
Temperature: 1.200000
Total energy: -908.319380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -908.319380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -908.319380 (E_RNA)
where:
Base-Base interactions energy: -606.450
where: short stacking energy: -259.104
Base-Backbone interact. energy: 0.435
local terms energy: -302.304480
where:
bonds (distance) C4'-P energy: -65.333
bonds (distance) P-C4' energy: -56.889
flat angles C4'-P-C4' energy: -75.747
flat angles P-C4'-P energy: -47.389
tors. eta vs tors. theta energy: -56.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 209
Temperature: 1.250000
Total energy: -800.367948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -800.367948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -800.367948 (E_RNA)
where:
Base-Base interactions energy: -508.224
where: short stacking energy: -230.013
Base-Backbone interact. energy: -0.327
local terms energy: -291.816683
where:
bonds (distance) C4'-P energy: -54.030
bonds (distance) P-C4' energy: -69.266
flat angles C4'-P-C4' energy: -66.616
flat angles P-C4'-P energy: -50.425
tors. eta vs tors. theta energy: -51.481
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: 10
=====================================
Write number: 209
Temperature: 1.300000
Total energy: -639.448213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -639.448213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -639.448213 (E_RNA)
where:
Base-Base interactions energy: -387.978
where: short stacking energy: -194.845
Base-Backbone interact. energy: -3.519
local terms energy: -247.951841
where:
bonds (distance) C4'-P energy: -63.815
bonds (distance) P-C4' energy: -69.407
flat angles C4'-P-C4' energy: -48.558
flat angles P-C4'-P energy: -35.340
tors. eta vs tors. theta energy: -30.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 209
Temperature: 1.350000
Total energy: -512.284747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.284747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.284747 (E_RNA)
where:
Base-Base interactions energy: -278.916
where: short stacking energy: -138.856
Base-Backbone interact. energy: 1.042
local terms energy: -234.502187
where:
bonds (distance) C4'-P energy: -45.548
bonds (distance) P-C4' energy: -79.558
flat angles C4'-P-C4' energy: -63.841
flat angles P-C4'-P energy: -24.040
tors. eta vs tors. theta energy: -21.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.091 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 210
Temperature: 0.900000
Total energy: -1388.969531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1388.969531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1388.969531 (E_RNA)
where:
Base-Base interactions energy: -970.730
where: short stacking energy: -405.253
Base-Backbone interact. energy: -0.501
local terms energy: -417.738367
where:
bonds (distance) C4'-P energy: -65.799
bonds (distance) P-C4' energy: -82.580
flat angles C4'-P-C4' energy: -85.015
flat angles P-C4'-P energy: -61.861
tors. eta vs tors. theta energy: -122.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 210
Temperature: 0.950000
Total energy: -1322.954982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1322.954982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1322.954982 (E_RNA)
where:
Base-Base interactions energy: -907.676
where: short stacking energy: -376.918
Base-Backbone interact. energy: -0.546
local terms energy: -414.733696
where:
bonds (distance) C4'-P energy: -65.656
bonds (distance) P-C4' energy: -79.337
flat angles C4'-P-C4' energy: -84.300
flat angles P-C4'-P energy: -65.550
tors. eta vs tors. theta energy: -119.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 210
Temperature: 1.000000
Total energy: -1280.209543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1280.209543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1280.209543 (E_RNA)
where:
Base-Base interactions energy: -893.421
where: short stacking energy: -374.496
Base-Backbone interact. energy: 0.012
local terms energy: -386.800937
where:
bonds (distance) C4'-P energy: -66.966
bonds (distance) P-C4' energy: -77.660
flat angles C4'-P-C4' energy: -80.416
flat angles P-C4'-P energy: -53.571
tors. eta vs tors. theta energy: -108.188
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: 4, replica: 6
=====================================
Write number: 210
Temperature: 1.050000
Total energy: -1224.446484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1224.446484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1224.446484 (E_RNA)
where:
Base-Base interactions energy: -864.239
where: short stacking energy: -347.922
Base-Backbone interact. energy: -2.309
local terms energy: -357.899058
where:
bonds (distance) C4'-P energy: -63.629
bonds (distance) P-C4' energy: -74.523
flat angles C4'-P-C4' energy: -72.450
flat angles P-C4'-P energy: -51.603
tors. eta vs tors. theta energy: -95.693
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: 7
=====================================
Write number: 210
Temperature: 1.100000
Total energy: -1150.116025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1150.116025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1150.116025 (E_RNA)
where:
Base-Base interactions energy: -786.359
where: short stacking energy: -345.332
Base-Backbone interact. energy: -1.769
local terms energy: -361.988068
where:
bonds (distance) C4'-P energy: -61.283
bonds (distance) P-C4' energy: -71.965
flat angles C4'-P-C4' energy: -78.023
flat angles P-C4'-P energy: -50.143
tors. eta vs tors. theta energy: -100.574
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: 2
=====================================
Write number: 210
Temperature: 1.150000
Total energy: -994.318591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -994.318591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -994.318591 (E_RNA)
where:
Base-Base interactions energy: -674.817
where: short stacking energy: -295.181
Base-Backbone interact. energy: 3.123
local terms energy: -322.624744
where:
bonds (distance) C4'-P energy: -61.287
bonds (distance) P-C4' energy: -69.780
flat angles C4'-P-C4' energy: -75.880
flat angles P-C4'-P energy: -38.217
tors. eta vs tors. theta energy: -77.461
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: 9
=====================================
Write number: 210
Temperature: 1.200000
Total energy: -922.830917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -922.830917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -922.830917 (E_RNA)
where:
Base-Base interactions energy: -625.411
where: short stacking energy: -270.376
Base-Backbone interact. energy: -2.217
local terms energy: -295.202823
where:
bonds (distance) C4'-P energy: -57.380
bonds (distance) P-C4' energy: -73.616
flat angles C4'-P-C4' energy: -68.296
flat angles P-C4'-P energy: -33.940
tors. eta vs tors. theta energy: -61.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 210
Temperature: 1.250000
Total energy: -804.091523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -804.091523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -804.091523 (E_RNA)
where:
Base-Base interactions energy: -506.979
where: short stacking energy: -234.155
Base-Backbone interact. energy: -2.204
local terms energy: -294.908620
where:
bonds (distance) C4'-P energy: -70.094
bonds (distance) P-C4' energy: -67.270
flat angles C4'-P-C4' energy: -69.305
flat angles P-C4'-P energy: -41.265
tors. eta vs tors. theta energy: -46.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 210
Temperature: 1.300000
Total energy: -619.446667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -619.446667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -619.446667 (E_RNA)
where:
Base-Base interactions energy: -381.167
where: short stacking energy: -180.054
Base-Backbone interact. energy: -1.516
local terms energy: -236.763706
where:
bonds (distance) C4'-P energy: -61.210
bonds (distance) P-C4' energy: -47.905
flat angles C4'-P-C4' energy: -57.312
flat angles P-C4'-P energy: -39.164
tors. eta vs tors. theta energy: -31.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 210
Temperature: 1.350000
Total energy: -512.234907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.234907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.234907 (E_RNA)
where:
Base-Base interactions energy: -287.563
where: short stacking energy: -136.204
Base-Backbone interact. energy: -1.415
local terms energy: -223.257259
where:
bonds (distance) C4'-P energy: -63.546
bonds (distance) P-C4' energy: -70.766
flat angles C4'-P-C4' energy: -61.664
flat angles P-C4'-P energy: -23.398
tors. eta vs tors. theta energy: -3.882
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: 5
=====================================
Write number: 211
Temperature: 0.900000
Total energy: -1401.931649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1401.931649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1401.931649 (E_RNA)
where:
Base-Base interactions energy: -980.804
where: short stacking energy: -410.973
Base-Backbone interact. energy: -0.855
local terms energy: -420.273320
where:
bonds (distance) C4'-P energy: -78.257
bonds (distance) P-C4' energy: -72.692
flat angles C4'-P-C4' energy: -91.002
flat angles P-C4'-P energy: -59.371
tors. eta vs tors. theta energy: -118.951
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: 8
=====================================
Write number: 211
Temperature: 0.950000
Total energy: -1329.296577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1329.296577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1329.296577 (E_RNA)
where:
Base-Base interactions energy: -939.339
where: short stacking energy: -410.234
Base-Backbone interact. energy: 0.894
local terms energy: -390.851691
where:
bonds (distance) C4'-P energy: -70.578
bonds (distance) P-C4' energy: -72.444
flat angles C4'-P-C4' energy: -85.304
flat angles P-C4'-P energy: -41.603
tors. eta vs tors. theta energy: -120.922
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: 3, replica: 3
=====================================
Write number: 211
Temperature: 1.000000
Total energy: -1285.290957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1285.290957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1285.290957 (E_RNA)
where:
Base-Base interactions energy: -906.678
where: short stacking energy: -381.853
Base-Backbone interact. energy: -0.342
local terms energy: -378.270362
where:
bonds (distance) C4'-P energy: -66.380
bonds (distance) P-C4' energy: -72.367
flat angles C4'-P-C4' energy: -72.102
flat angles P-C4'-P energy: -53.444
tors. eta vs tors. theta energy: -113.977
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: 6
=====================================
Write number: 211
Temperature: 1.050000
Total energy: -1228.456253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1228.456253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1228.456253 (E_RNA)
where:
Base-Base interactions energy: -868.029
where: short stacking energy: -344.333
Base-Backbone interact. energy: -2.453
local terms energy: -357.974674
where:
bonds (distance) C4'-P energy: -75.267
bonds (distance) P-C4' energy: -65.175
flat angles C4'-P-C4' energy: -80.997
flat angles P-C4'-P energy: -45.142
tors. eta vs tors. theta energy: -91.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 211
Temperature: 1.100000
Total energy: -1119.331302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1119.331302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1119.331302 (E_RNA)
where:
Base-Base interactions energy: -760.671
where: short stacking energy: -346.461
Base-Backbone interact. energy: -1.066
local terms energy: -357.594439
where:
bonds (distance) C4'-P energy: -64.156
bonds (distance) P-C4' energy: -72.202
flat angles C4'-P-C4' energy: -82.100
flat angles P-C4'-P energy: -45.161
tors. eta vs tors. theta energy: -93.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 211
Temperature: 1.150000
Total energy: -1012.741084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1012.741084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1012.741084 (E_RNA)
where:
Base-Base interactions energy: -672.277
where: short stacking energy: -288.046
Base-Backbone interact. energy: -1.541
local terms energy: -338.923197
where:
bonds (distance) C4'-P energy: -68.973
bonds (distance) P-C4' energy: -71.080
flat angles C4'-P-C4' energy: -73.238
flat angles P-C4'-P energy: -45.844
tors. eta vs tors. theta energy: -79.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 211
Temperature: 1.200000
Total energy: -974.365716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -974.365716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -974.365716 (E_RNA)
where:
Base-Base interactions energy: -652.136
where: short stacking energy: -296.769
Base-Backbone interact. energy: -0.084
local terms energy: -322.145844
where:
bonds (distance) C4'-P energy: -52.148
bonds (distance) P-C4' energy: -69.698
flat angles C4'-P-C4' energy: -84.761
flat angles P-C4'-P energy: -40.450
tors. eta vs tors. theta energy: -75.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 211
Temperature: 1.250000
Total energy: -778.426527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -778.426527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -778.426527 (E_RNA)
where:
Base-Base interactions energy: -490.832
where: short stacking energy: -227.270
Base-Backbone interact. energy: -2.467
local terms energy: -285.126758
where:
bonds (distance) C4'-P energy: -48.358
bonds (distance) P-C4' energy: -75.303
flat angles C4'-P-C4' energy: -64.625
flat angles P-C4'-P energy: -41.753
tors. eta vs tors. theta energy: -55.089
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: 10
=====================================
Write number: 211
Temperature: 1.300000
Total energy: -584.528558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -584.528558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -584.528558 (E_RNA)
where:
Base-Base interactions energy: -336.268
where: short stacking energy: -153.058
Base-Backbone interact. energy: 0.104
local terms energy: -248.364528
where:
bonds (distance) C4'-P energy: -68.052
bonds (distance) P-C4' energy: -70.296
flat angles C4'-P-C4' energy: -63.044
flat angles P-C4'-P energy: -34.721
tors. eta vs tors. theta energy: -12.251
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: 4
=====================================
Write number: 211
Temperature: 1.350000
Total energy: -501.235346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.235346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.235346 (E_RNA)
where:
Base-Base interactions energy: -255.643
where: short stacking energy: -123.362
Base-Backbone interact. energy: -1.880
local terms energy: -243.713077
where:
bonds (distance) C4'-P energy: -61.187
bonds (distance) P-C4' energy: -61.042
flat angles C4'-P-C4' energy: -56.199
flat angles P-C4'-P energy: -49.667
tors. eta vs tors. theta energy: -15.619
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: 1, replica: 5
=====================================
Write number: 212
Temperature: 0.900000
Total energy: -1419.643192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1419.643192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1419.643192 (E_RNA)
where:
Base-Base interactions energy: -990.001
where: short stacking energy: -421.321
Base-Backbone interact. energy: 1.713
local terms energy: -431.354680
where:
bonds (distance) C4'-P energy: -89.501
bonds (distance) P-C4' energy: -80.647
flat angles C4'-P-C4' energy: -83.433
flat angles P-C4'-P energy: -55.883
tors. eta vs tors. theta energy: -121.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 212
Temperature: 0.950000
Total energy: -1306.893569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1306.893569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1306.893569 (E_RNA)
where:
Base-Base interactions energy: -884.211
where: short stacking energy: -363.397
Base-Backbone interact. energy: -3.109
local terms energy: -419.573456
where:
bonds (distance) C4'-P energy: -72.568
bonds (distance) P-C4' energy: -83.030
flat angles C4'-P-C4' energy: -86.340
flat angles P-C4'-P energy: -61.465
tors. eta vs tors. theta energy: -116.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 212
Temperature: 1.000000
Total energy: -1294.930238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1294.930238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1294.930238 (E_RNA)
where:
Base-Base interactions energy: -904.506
where: short stacking energy: -378.084
Base-Backbone interact. energy: -2.235
local terms energy: -388.188570
where:
bonds (distance) C4'-P energy: -72.645
bonds (distance) P-C4' energy: -75.876
flat angles C4'-P-C4' energy: -82.228
flat angles P-C4'-P energy: -50.702
tors. eta vs tors. theta energy: -106.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 212
Temperature: 1.050000
Total energy: -1198.540905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1198.540905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1198.540905 (E_RNA)
where:
Base-Base interactions energy: -847.374
where: short stacking energy: -349.147
Base-Backbone interact. energy: -2.209
local terms energy: -348.958718
where:
bonds (distance) C4'-P energy: -72.292
bonds (distance) P-C4' energy: -66.153
flat angles C4'-P-C4' energy: -75.559
flat angles P-C4'-P energy: -47.699
tors. eta vs tors. theta energy: -87.256
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: 5, replica: 7
=====================================
Write number: 212
Temperature: 1.100000
Total energy: -1147.453300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1147.453300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1147.453300 (E_RNA)
where:
Base-Base interactions energy: -785.489
where: short stacking energy: -346.186
Base-Backbone interact. energy: -4.614
local terms energy: -357.350370
where:
bonds (distance) C4'-P energy: -67.911
bonds (distance) P-C4' energy: -62.622
flat angles C4'-P-C4' energy: -84.691
flat angles P-C4'-P energy: -45.015
tors. eta vs tors. theta energy: -97.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 212
Temperature: 1.150000
Total energy: -992.035048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -992.035048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -992.035048 (E_RNA)
where:
Base-Base interactions energy: -665.366
where: short stacking energy: -288.048
Base-Backbone interact. energy: -2.155
local terms energy: -324.514097
where:
bonds (distance) C4'-P energy: -69.834
bonds (distance) P-C4' energy: -65.615
flat angles C4'-P-C4' energy: -67.463
flat angles P-C4'-P energy: -47.439
tors. eta vs tors. theta energy: -74.163
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: 9
=====================================
Write number: 212
Temperature: 1.200000
Total energy: -972.840435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -972.840435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -972.840435 (E_RNA)
where:
Base-Base interactions energy: -681.351
where: short stacking energy: -281.201
Base-Backbone interact. energy: -1.842
local terms energy: -289.647941
where:
bonds (distance) C4'-P energy: -58.241
bonds (distance) P-C4' energy: -57.261
flat angles C4'-P-C4' energy: -67.280
flat angles P-C4'-P energy: -35.200
tors. eta vs tors. theta energy: -71.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 212
Temperature: 1.250000
Total energy: -741.349417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -741.349417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -741.349417 (E_RNA)
where:
Base-Base interactions energy: -444.369
where: short stacking energy: -216.631
Base-Backbone interact. energy: -2.440
local terms energy: -294.539956
where:
bonds (distance) C4'-P energy: -64.314
bonds (distance) P-C4' energy: -73.030
flat angles C4'-P-C4' energy: -66.568
flat angles P-C4'-P energy: -45.210
tors. eta vs tors. theta energy: -45.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 212
Temperature: 1.300000
Total energy: -612.965122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -612.965122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -612.965122 (E_RNA)
where:
Base-Base interactions energy: -355.348
where: short stacking energy: -162.122
Base-Backbone interact. energy: 2.141
local terms energy: -259.758026
where:
bonds (distance) C4'-P energy: -66.057
bonds (distance) P-C4' energy: -71.983
flat angles C4'-P-C4' energy: -59.190
flat angles P-C4'-P energy: -28.346
tors. eta vs tors. theta energy: -34.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 212
Temperature: 1.350000
Total energy: -509.527454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.527454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.527454 (E_RNA)
where:
Base-Base interactions energy: -292.861
where: short stacking energy: -148.543
Base-Backbone interact. energy: 2.618
local terms energy: -219.285222
where:
bonds (distance) C4'-P energy: -63.426
bonds (distance) P-C4' energy: -59.957
flat angles C4'-P-C4' energy: -61.831
flat angles P-C4'-P energy: -29.536
tors. eta vs tors. theta energy: -4.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 213
Temperature: 0.900000
Total energy: -1397.946654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1397.946654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1397.946654 (E_RNA)
where:
Base-Base interactions energy: -971.817
where: short stacking energy: -422.039
Base-Backbone interact. energy: -1.413
local terms energy: -424.716824
where:
bonds (distance) C4'-P energy: -80.596
bonds (distance) P-C4' energy: -79.501
flat angles C4'-P-C4' energy: -90.279
flat angles P-C4'-P energy: -57.050
tors. eta vs tors. theta energy: -117.290
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: 8
=====================================
Write number: 213
Temperature: 0.950000
Total energy: -1323.820079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1323.820079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1323.820079 (E_RNA)
where:
Base-Base interactions energy: -911.043
where: short stacking energy: -397.863
Base-Backbone interact. energy: -1.875
local terms energy: -410.902372
where:
bonds (distance) C4'-P energy: -71.186
bonds (distance) P-C4' energy: -77.905
flat angles C4'-P-C4' energy: -83.259
flat angles P-C4'-P energy: -55.819
tors. eta vs tors. theta energy: -122.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 213
Temperature: 1.000000
Total energy: -1246.686096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1246.686096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1246.686096 (E_RNA)
where:
Base-Base interactions energy: -857.862
where: short stacking energy: -357.671
Base-Backbone interact. energy: -0.485
local terms energy: -388.339221
where:
bonds (distance) C4'-P energy: -71.730
bonds (distance) P-C4' energy: -74.972
flat angles C4'-P-C4' energy: -84.283
flat angles P-C4'-P energy: -52.583
tors. eta vs tors. theta energy: -104.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 213
Temperature: 1.050000
Total energy: -1193.936034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1193.936034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1193.936034 (E_RNA)
where:
Base-Base interactions energy: -839.012
where: short stacking energy: -343.142
Base-Backbone interact. energy: 1.248
local terms energy: -356.172671
where:
bonds (distance) C4'-P energy: -72.967
bonds (distance) P-C4' energy: -70.423
flat angles C4'-P-C4' energy: -81.881
flat angles P-C4'-P energy: -48.971
tors. eta vs tors. theta energy: -81.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 213
Temperature: 1.100000
Total energy: -1167.915391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1167.915391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1167.915391 (E_RNA)
where:
Base-Base interactions energy: -794.467
where: short stacking energy: -344.668
Base-Backbone interact. energy: 1.994
local terms energy: -375.442494
where:
bonds (distance) C4'-P energy: -73.962
bonds (distance) P-C4' energy: -72.259
flat angles C4'-P-C4' energy: -82.265
flat angles P-C4'-P energy: -51.571
tors. eta vs tors. theta energy: -95.385
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: 6, replica: 9
=====================================
Write number: 213
Temperature: 1.150000
Total energy: -1032.338783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1032.338783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1032.338783 (E_RNA)
where:
Base-Base interactions energy: -713.919
where: short stacking energy: -298.749
Base-Backbone interact. energy: -2.587
local terms energy: -315.832851
where:
bonds (distance) C4'-P energy: -59.137
bonds (distance) P-C4' energy: -49.861
flat angles C4'-P-C4' energy: -70.871
flat angles P-C4'-P energy: -50.976
tors. eta vs tors. theta energy: -84.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 213
Temperature: 1.200000
Total energy: -963.735331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -963.735331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -963.735331 (E_RNA)
where:
Base-Base interactions energy: -640.574
where: short stacking energy: -281.968
Base-Backbone interact. energy: 0.246
local terms energy: -323.407950
where:
bonds (distance) C4'-P energy: -73.900
bonds (distance) P-C4' energy: -58.513
flat angles C4'-P-C4' energy: -76.893
flat angles P-C4'-P energy: -43.800
tors. eta vs tors. theta energy: -70.302
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: 1
=====================================
Write number: 213
Temperature: 1.250000
Total energy: -777.430990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -777.430990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -777.430990 (E_RNA)
where:
Base-Base interactions energy: -503.084
where: short stacking energy: -219.424
Base-Backbone interact. energy: -1.818
local terms energy: -272.528453
where:
bonds (distance) C4'-P energy: -65.993
bonds (distance) P-C4' energy: -69.933
flat angles C4'-P-C4' energy: -60.660
flat angles P-C4'-P energy: -46.989
tors. eta vs tors. theta energy: -28.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 213
Temperature: 1.300000
Total energy: -632.394966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -632.394966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -632.394966 (E_RNA)
where:
Base-Base interactions energy: -376.400
where: short stacking energy: -174.878
Base-Backbone interact. energy: -0.137
local terms energy: -255.857709
where:
bonds (distance) C4'-P energy: -70.039
bonds (distance) P-C4' energy: -66.258
flat angles C4'-P-C4' energy: -52.365
flat angles P-C4'-P energy: -41.391
tors. eta vs tors. theta energy: -25.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 213
Temperature: 1.350000
Total energy: -481.333755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.333755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.333755 (E_RNA)
where:
Base-Base interactions energy: -267.251
where: short stacking energy: -144.802
Base-Backbone interact. energy: -2.542
local terms energy: -211.541327
where:
bonds (distance) C4'-P energy: -67.661
bonds (distance) P-C4' energy: -57.980
flat angles C4'-P-C4' energy: -51.773
flat angles P-C4'-P energy: -20.123
tors. eta vs tors. theta energy: -14.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 214
Temperature: 0.900000
Total energy: -1414.053260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1414.053260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1414.053260 (E_RNA)
where:
Base-Base interactions energy: -986.208
where: short stacking energy: -420.424
Base-Backbone interact. energy: 0.668
local terms energy: -428.513705
where:
bonds (distance) C4'-P energy: -73.715
bonds (distance) P-C4' energy: -73.816
flat angles C4'-P-C4' energy: -88.230
flat angles P-C4'-P energy: -72.028
tors. eta vs tors. theta energy: -120.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 214
Temperature: 0.950000
Total energy: -1341.120056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1341.120056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1341.120056 (E_RNA)
where:
Base-Base interactions energy: -926.485
where: short stacking energy: -402.457
Base-Backbone interact. energy: -2.923
local terms energy: -411.712175
where:
bonds (distance) C4'-P energy: -75.056
bonds (distance) P-C4' energy: -73.704
flat angles C4'-P-C4' energy: -83.863
flat angles P-C4'-P energy: -54.470
tors. eta vs tors. theta energy: -124.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 214
Temperature: 1.000000
Total energy: -1222.421668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1222.421668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1222.421668 (E_RNA)
where:
Base-Base interactions energy: -846.802
where: short stacking energy: -354.310
Base-Backbone interact. energy: -1.216
local terms energy: -376.310774
where:
bonds (distance) C4'-P energy: -64.942
bonds (distance) P-C4' energy: -64.727
flat angles C4'-P-C4' energy: -80.778
flat angles P-C4'-P energy: -61.202
tors. eta vs tors. theta energy: -104.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.908 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 214
Temperature: 1.050000
Total energy: -1192.187371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1192.187371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1192.187371 (E_RNA)
where:
Base-Base interactions energy: -845.639
where: short stacking energy: -340.894
Base-Backbone interact. energy: -0.402
local terms energy: -346.146979
where:
bonds (distance) C4'-P energy: -76.837
bonds (distance) P-C4' energy: -69.690
flat angles C4'-P-C4' energy: -72.747
flat angles P-C4'-P energy: -41.461
tors. eta vs tors. theta energy: -85.412
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: 7
=====================================
Write number: 214
Temperature: 1.100000
Total energy: -1148.850302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1148.850302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1148.850302 (E_RNA)
where:
Base-Base interactions energy: -786.319
where: short stacking energy: -336.514
Base-Backbone interact. energy: 0.677
local terms energy: -363.208572
where:
bonds (distance) C4'-P energy: -66.506
bonds (distance) P-C4' energy: -67.431
flat angles C4'-P-C4' energy: -79.911
flat angles P-C4'-P energy: -56.104
tors. eta vs tors. theta energy: -93.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 214
Temperature: 1.150000
Total energy: -1054.047304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1054.047304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1054.047304 (E_RNA)
where:
Base-Base interactions energy: -726.095
where: short stacking energy: -292.222
Base-Backbone interact. energy: -3.095
local terms energy: -325.493094
where:
bonds (distance) C4'-P energy: -57.147
bonds (distance) P-C4' energy: -71.158
flat angles C4'-P-C4' energy: -72.061
flat angles P-C4'-P energy: -52.351
tors. eta vs tors. theta energy: -72.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.636 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 214
Temperature: 1.200000
Total energy: -973.823413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -973.823413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -973.823413 (E_RNA)
where:
Base-Base interactions energy: -655.181
where: short stacking energy: -291.763
Base-Backbone interact. energy: 0.781
local terms energy: -319.423121
where:
bonds (distance) C4'-P energy: -77.184
bonds (distance) P-C4' energy: -63.019
flat angles C4'-P-C4' energy: -71.437
flat angles P-C4'-P energy: -41.340
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: 1
=====================================
Write number: 214
Temperature: 1.250000
Total energy: -780.548278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -780.548278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -780.548278 (E_RNA)
where:
Base-Base interactions energy: -506.544
where: short stacking energy: -218.374
Base-Backbone interact. energy: 2.131
local terms energy: -276.134780
where:
bonds (distance) C4'-P energy: -71.573
bonds (distance) P-C4' energy: -60.904
flat angles C4'-P-C4' energy: -57.031
flat angles P-C4'-P energy: -40.895
tors. eta vs tors. theta energy: -45.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 214
Temperature: 1.300000
Total energy: -615.188614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -615.188614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -615.188614 (E_RNA)
where:
Base-Base interactions energy: -386.364
where: short stacking energy: -191.594
Base-Backbone interact. energy: -1.525
local terms energy: -227.299369
where:
bonds (distance) C4'-P energy: -42.731
bonds (distance) P-C4' energy: -67.232
flat angles C4'-P-C4' energy: -44.657
flat angles P-C4'-P energy: -44.048
tors. eta vs tors. theta energy: -28.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 214
Temperature: 1.350000
Total energy: -444.913216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.913216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.913216 (E_RNA)
where:
Base-Base interactions energy: -235.074
where: short stacking energy: -134.118
Base-Backbone interact. energy: 2.381
local terms energy: -212.219891
where:
bonds (distance) C4'-P energy: -59.043
bonds (distance) P-C4' energy: -64.648
flat angles C4'-P-C4' energy: -56.580
flat angles P-C4'-P energy: -28.280
tors. eta vs tors. theta energy: -3.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 215
Temperature: 0.900000
Total energy: -1402.484173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1402.484173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1402.484173 (E_RNA)
where:
Base-Base interactions energy: -984.826
where: short stacking energy: -420.878
Base-Backbone interact. energy: 0.402
local terms energy: -418.060128
where:
bonds (distance) C4'-P energy: -81.254
bonds (distance) P-C4' energy: -72.882
flat angles C4'-P-C4' energy: -87.492
flat angles P-C4'-P energy: -56.538
tors. eta vs tors. theta energy: -119.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 215
Temperature: 0.950000
Total energy: -1344.995454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1344.995454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1344.995454 (E_RNA)
where:
Base-Base interactions energy: -919.408
where: short stacking energy: -408.553
Base-Backbone interact. energy: -1.718
local terms energy: -423.869537
where:
bonds (distance) C4'-P energy: -72.163
bonds (distance) P-C4' energy: -75.902
flat angles C4'-P-C4' energy: -88.387
flat angles P-C4'-P energy: -57.967
tors. eta vs tors. theta energy: -129.451
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: 3
=====================================
Write number: 215
Temperature: 1.000000
Total energy: -1243.815768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1243.815768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1243.815768 (E_RNA)
where:
Base-Base interactions energy: -863.833
where: short stacking energy: -373.051
Base-Backbone interact. energy: -1.622
local terms energy: -378.361086
where:
bonds (distance) C4'-P energy: -67.468
bonds (distance) P-C4' energy: -76.489
flat angles C4'-P-C4' energy: -77.453
flat angles P-C4'-P energy: -60.236
tors. eta vs tors. theta energy: -96.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 215
Temperature: 1.050000
Total energy: -1192.690231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1192.690231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1192.690231 (E_RNA)
where:
Base-Base interactions energy: -840.010
where: short stacking energy: -328.264
Base-Backbone interact. energy: -2.094
local terms energy: -350.586710
where:
bonds (distance) C4'-P energy: -64.427
bonds (distance) P-C4' energy: -73.731
flat angles C4'-P-C4' energy: -74.771
flat angles P-C4'-P energy: -51.953
tors. eta vs tors. theta energy: -85.705
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: 7
=====================================
Write number: 215
Temperature: 1.100000
Total energy: -1151.553808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1151.553808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1151.553808 (E_RNA)
where:
Base-Base interactions energy: -793.325
where: short stacking energy: -366.517
Base-Backbone interact. energy: -0.491
local terms energy: -357.737880
where:
bonds (distance) C4'-P energy: -64.590
bonds (distance) P-C4' energy: -64.345
flat angles C4'-P-C4' energy: -78.855
flat angles P-C4'-P energy: -54.227
tors. eta vs tors. theta energy: -95.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 215
Temperature: 1.150000
Total energy: -1007.848360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1007.848360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1007.848360 (E_RNA)
where:
Base-Base interactions energy: -686.687
where: short stacking energy: -297.239
Base-Backbone interact. energy: -0.050
local terms energy: -321.111868
where:
bonds (distance) C4'-P energy: -62.717
bonds (distance) P-C4' energy: -70.065
flat angles C4'-P-C4' energy: -68.940
flat angles P-C4'-P energy: -44.426
tors. eta vs tors. theta energy: -74.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 215
Temperature: 1.200000
Total energy: -1008.631165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1008.631165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1008.631165 (E_RNA)
where:
Base-Base interactions energy: -690.359
where: short stacking energy: -286.398
Base-Backbone interact. energy: -1.974
local terms energy: -316.298126
where:
bonds (distance) C4'-P energy: -64.079
bonds (distance) P-C4' energy: -61.245
flat angles C4'-P-C4' energy: -72.968
flat angles P-C4'-P energy: -46.428
tors. eta vs tors. theta energy: -71.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 215
Temperature: 1.250000
Total energy: -761.259680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -761.259680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -761.259680 (E_RNA)
where:
Base-Base interactions energy: -485.018
where: short stacking energy: -240.384
Base-Backbone interact. energy: -1.315
local terms energy: -274.926386
where:
bonds (distance) C4'-P energy: -70.841
bonds (distance) P-C4' energy: -59.011
flat angles C4'-P-C4' energy: -65.412
flat angles P-C4'-P energy: -18.614
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: 9, replica: 10
=====================================
Write number: 215
Temperature: 1.300000
Total energy: -562.574950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -562.574950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -562.574950 (E_RNA)
where:
Base-Base interactions energy: -338.999
where: short stacking energy: -151.196
Base-Backbone interact. energy: 1.105
local terms energy: -224.681027
where:
bonds (distance) C4'-P energy: -47.644
bonds (distance) P-C4' energy: -55.769
flat angles C4'-P-C4' energy: -68.346
flat angles P-C4'-P energy: -30.215
tors. eta vs tors. theta energy: -22.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 215
Temperature: 1.350000
Total energy: -476.928501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.928501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.928501 (E_RNA)
where:
Base-Base interactions energy: -263.609
where: short stacking energy: -137.646
Base-Backbone interact. energy: 0.798
local terms energy: -215.400968
where:
bonds (distance) C4'-P energy: -54.575
bonds (distance) P-C4' energy: -71.555
flat angles C4'-P-C4' energy: -55.648
flat angles P-C4'-P energy: -40.761
tors. eta vs tors. theta energy: 7.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.284 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 216
Temperature: 0.900000
Total energy: -1385.194637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1385.194637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1385.194637 (E_RNA)
where:
Base-Base interactions energy: -966.542
where: short stacking energy: -406.526
Base-Backbone interact. energy: -1.554
local terms energy: -417.099321
where:
bonds (distance) C4'-P energy: -78.856
bonds (distance) P-C4' energy: -76.074
flat angles C4'-P-C4' energy: -85.962
flat angles P-C4'-P energy: -60.950
tors. eta vs tors. theta energy: -115.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 216
Temperature: 0.950000
Total energy: -1319.533817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1319.533817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1319.533817 (E_RNA)
where:
Base-Base interactions energy: -921.667
where: short stacking energy: -401.763
Base-Backbone interact. energy: -2.011
local terms energy: -395.855000
where:
bonds (distance) C4'-P energy: -71.605
bonds (distance) P-C4' energy: -76.231
flat angles C4'-P-C4' energy: -87.009
flat angles P-C4'-P energy: -53.412
tors. eta vs tors. theta energy: -107.598
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: 216
Temperature: 1.000000
Total energy: -1250.566066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1250.566066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1250.566066 (E_RNA)
where:
Base-Base interactions energy: -869.504
where: short stacking energy: -378.329
Base-Backbone interact. energy: -0.474
local terms energy: -380.588553
where:
bonds (distance) C4'-P energy: -70.872
bonds (distance) P-C4' energy: -75.696
flat angles C4'-P-C4' energy: -84.125
flat angles P-C4'-P energy: -48.133
tors. eta vs tors. theta energy: -101.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 216
Temperature: 1.050000
Total energy: -1180.896466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1180.896466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1180.896466 (E_RNA)
where:
Base-Base interactions energy: -832.669
where: short stacking energy: -342.466
Base-Backbone interact. energy: -0.341
local terms energy: -347.886054
where:
bonds (distance) C4'-P energy: -73.696
bonds (distance) P-C4' energy: -57.504
flat angles C4'-P-C4' energy: -86.691
flat angles P-C4'-P energy: -47.626
tors. eta vs tors. theta energy: -82.370
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: 7
=====================================
Write number: 216
Temperature: 1.100000
Total energy: -1154.250887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1154.250887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1154.250887 (E_RNA)
where:
Base-Base interactions energy: -794.399
where: short stacking energy: -358.869
Base-Backbone interact. energy: -0.849
local terms energy: -359.002578
where:
bonds (distance) C4'-P energy: -64.213
bonds (distance) P-C4' energy: -67.745
flat angles C4'-P-C4' energy: -69.978
flat angles P-C4'-P energy: -56.914
tors. eta vs tors. theta energy: -100.153
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: 6, replica: 2
=====================================
Write number: 216
Temperature: 1.150000
Total energy: -999.959952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -999.959952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -999.959952 (E_RNA)
where:
Base-Base interactions energy: -661.107
where: short stacking energy: -290.405
Base-Backbone interact. energy: -1.822
local terms energy: -337.030930
where:
bonds (distance) C4'-P energy: -73.256
bonds (distance) P-C4' energy: -67.204
flat angles C4'-P-C4' energy: -80.513
flat angles P-C4'-P energy: -41.319
tors. eta vs tors. theta energy: -74.739
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: 9
=====================================
Write number: 216
Temperature: 1.200000
Total energy: -1007.517515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1007.517515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1007.517515 (E_RNA)
where:
Base-Base interactions energy: -686.867
where: short stacking energy: -277.244
Base-Backbone interact. energy: -1.547
local terms energy: -319.103922
where:
bonds (distance) C4'-P energy: -67.856
bonds (distance) P-C4' energy: -65.268
flat angles C4'-P-C4' energy: -63.134
flat angles P-C4'-P energy: -41.450
tors. eta vs tors. theta energy: -81.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 216
Temperature: 1.250000
Total energy: -759.305641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -759.305641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -759.305641 (E_RNA)
where:
Base-Base interactions energy: -480.383
where: short stacking energy: -217.668
Base-Backbone interact. energy: -1.303
local terms energy: -277.619867
where:
bonds (distance) C4'-P energy: -64.521
bonds (distance) P-C4' energy: -63.257
flat angles C4'-P-C4' energy: -64.845
flat angles P-C4'-P energy: -45.064
tors. eta vs tors. theta energy: -39.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 216
Temperature: 1.300000
Total energy: -544.851152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.851152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.851152 (E_RNA)
where:
Base-Base interactions energy: -323.628
where: short stacking energy: -146.190
Base-Backbone interact. energy: -1.050
local terms energy: -220.173312
where:
bonds (distance) C4'-P energy: -62.926
bonds (distance) P-C4' energy: -57.978
flat angles C4'-P-C4' energy: -48.277
flat angles P-C4'-P energy: -51.007
tors. eta vs tors. theta energy: 0.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 216
Temperature: 1.350000
Total energy: -481.901671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.901671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.901671 (E_RNA)
where:
Base-Base interactions energy: -245.708
where: short stacking energy: -143.642
Base-Backbone interact. energy: 0.789
local terms energy: -236.982241
where:
bonds (distance) C4'-P energy: -62.549
bonds (distance) P-C4' energy: -68.949
flat angles C4'-P-C4' energy: -71.983
flat angles P-C4'-P energy: -30.502
tors. eta vs tors. theta energy: -3.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 217
Temperature: 0.900000
Total energy: -1389.293035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1389.293035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1389.293035 (E_RNA)
where:
Base-Base interactions energy: -986.540
where: short stacking energy: -413.867
Base-Backbone interact. energy: -0.566
local terms energy: -402.186866
where:
bonds (distance) C4'-P energy: -78.415
bonds (distance) P-C4' energy: -66.367
flat angles C4'-P-C4' energy: -82.894
flat angles P-C4'-P energy: -53.360
tors. eta vs tors. theta energy: -121.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 217
Temperature: 0.950000
Total energy: -1314.619167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1314.619167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1314.619167 (E_RNA)
where:
Base-Base interactions energy: -925.849
where: short stacking energy: -392.460
Base-Backbone interact. energy: -0.040
local terms energy: -388.729959
where:
bonds (distance) C4'-P energy: -71.620
bonds (distance) P-C4' energy: -74.012
flat angles C4'-P-C4' energy: -79.967
flat angles P-C4'-P energy: -54.906
tors. eta vs tors. theta energy: -108.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 217
Temperature: 1.000000
Total energy: -1247.709983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1247.709983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1247.709983 (E_RNA)
where:
Base-Base interactions energy: -859.398
where: short stacking energy: -382.386
Base-Backbone interact. energy: -0.850
local terms energy: -387.461933
where:
bonds (distance) C4'-P energy: -62.075
bonds (distance) P-C4' energy: -74.129
flat angles C4'-P-C4' energy: -77.225
flat angles P-C4'-P energy: -57.188
tors. eta vs tors. theta energy: -116.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 217
Temperature: 1.050000
Total energy: -1232.182252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1232.182252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1232.182252 (E_RNA)
where:
Base-Base interactions energy: -844.094
where: short stacking energy: -368.969
Base-Backbone interact. energy: -0.974
local terms energy: -387.114698
where:
bonds (distance) C4'-P energy: -72.538
bonds (distance) P-C4' energy: -79.162
flat angles C4'-P-C4' energy: -77.340
flat angles P-C4'-P energy: -50.011
tors. eta vs tors. theta energy: -108.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 217
Temperature: 1.100000
Total energy: -1194.754287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1194.754287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1194.754287 (E_RNA)
where:
Base-Base interactions energy: -835.189
where: short stacking energy: -318.870
Base-Backbone interact. energy: -0.459
local terms energy: -359.106719
where:
bonds (distance) C4'-P energy: -70.248
bonds (distance) P-C4' energy: -77.117
flat angles C4'-P-C4' energy: -78.626
flat angles P-C4'-P energy: -49.985
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: 6, replica: 2
=====================================
Write number: 217
Temperature: 1.150000
Total energy: -1034.115190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1034.115190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1034.115190 (E_RNA)
where:
Base-Base interactions energy: -691.909
where: short stacking energy: -309.242
Base-Backbone interact. energy: -1.145
local terms energy: -341.061588
where:
bonds (distance) C4'-P energy: -77.448
bonds (distance) P-C4' energy: -77.539
flat angles C4'-P-C4' energy: -63.521
flat angles P-C4'-P energy: -48.791
tors. eta vs tors. theta energy: -73.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 217
Temperature: 1.200000
Total energy: -1014.185085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1014.185085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1014.185085 (E_RNA)
where:
Base-Base interactions energy: -697.527
where: short stacking energy: -293.898
Base-Backbone interact. energy: -0.829
local terms energy: -316.811687
where:
bonds (distance) C4'-P energy: -65.074
bonds (distance) P-C4' energy: -69.151
flat angles C4'-P-C4' energy: -73.817
flat angles P-C4'-P energy: -32.414
tors. eta vs tors. theta energy: -76.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.982 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 217
Temperature: 1.250000
Total energy: -746.189264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -746.189264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -746.189264 (E_RNA)
where:
Base-Base interactions energy: -460.333
where: short stacking energy: -218.707
Base-Backbone interact. energy: -0.850
local terms energy: -285.005941
where:
bonds (distance) C4'-P energy: -70.303
bonds (distance) P-C4' energy: -58.685
flat angles C4'-P-C4' energy: -66.254
flat angles P-C4'-P energy: -35.724
tors. eta vs tors. theta energy: -54.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 217
Temperature: 1.300000
Total energy: -530.096565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.096565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.096565 (E_RNA)
where:
Base-Base interactions energy: -302.742
where: short stacking energy: -157.136
Base-Backbone interact. energy: -2.607
local terms energy: -224.748171
where:
bonds (distance) C4'-P energy: -61.328
bonds (distance) P-C4' energy: -64.009
flat angles C4'-P-C4' energy: -49.375
flat angles P-C4'-P energy: -34.555
tors. eta vs tors. theta energy: -15.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 217
Temperature: 1.350000
Total energy: -467.157364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.157364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.157364 (E_RNA)
where:
Base-Base interactions energy: -249.906
where: short stacking energy: -148.938
Base-Backbone interact. energy: -0.370
local terms energy: -216.880857
where:
bonds (distance) C4'-P energy: -51.246
bonds (distance) P-C4' energy: -71.029
flat angles C4'-P-C4' energy: -65.703
flat angles P-C4'-P energy: -26.893
tors. eta vs tors. theta energy: -2.009
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: 5
=====================================
Write number: 218
Temperature: 0.900000
Total energy: -1397.276377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1397.276377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1397.276377 (E_RNA)
where:
Base-Base interactions energy: -973.479
where: short stacking energy: -411.006
Base-Backbone interact. energy: 0.870
local terms energy: -424.666756
where:
bonds (distance) C4'-P energy: -80.677
bonds (distance) P-C4' energy: -69.677
flat angles C4'-P-C4' energy: -91.672
flat angles P-C4'-P energy: -57.335
tors. eta vs tors. theta energy: -125.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 218
Temperature: 0.950000
Total energy: -1345.080583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1345.080583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1345.080583 (E_RNA)
where:
Base-Base interactions energy: -926.009
where: short stacking energy: -407.116
Base-Backbone interact. energy: -1.455
local terms energy: -417.617210
where:
bonds (distance) C4'-P energy: -65.653
bonds (distance) P-C4' energy: -79.539
flat angles C4'-P-C4' energy: -85.312
flat angles P-C4'-P energy: -59.940
tors. eta vs tors. theta energy: -127.174
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: 7
=====================================
Write number: 218
Temperature: 1.000000
Total energy: -1260.382226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1260.382226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1260.382226 (E_RNA)
where:
Base-Base interactions energy: -857.736
where: short stacking energy: -387.584
Base-Backbone interact. energy: -1.262
local terms energy: -401.384452
where:
bonds (distance) C4'-P energy: -67.156
bonds (distance) P-C4' energy: -75.655
flat angles C4'-P-C4' energy: -90.812
flat angles P-C4'-P energy: -53.935
tors. eta vs tors. theta energy: -113.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 218
Temperature: 1.050000
Total energy: -1204.597584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1204.597584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1204.597584 (E_RNA)
where:
Base-Base interactions energy: -837.244
where: short stacking energy: -350.718
Base-Backbone interact. energy: -2.382
local terms energy: -364.971600
where:
bonds (distance) C4'-P energy: -62.499
bonds (distance) P-C4' energy: -66.483
flat angles C4'-P-C4' energy: -82.846
flat angles P-C4'-P energy: -51.450
tors. eta vs tors. theta energy: -101.693
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: 6
=====================================
Write number: 218
Temperature: 1.100000
Total energy: -1175.654082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1175.654082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1175.654082 (E_RNA)
where:
Base-Base interactions energy: -803.820
where: short stacking energy: -306.151
Base-Backbone interact. energy: -0.650
local terms energy: -371.184251
where:
bonds (distance) C4'-P energy: -71.796
bonds (distance) P-C4' energy: -73.932
flat angles C4'-P-C4' energy: -87.605
flat angles P-C4'-P energy: -55.043
tors. eta vs tors. theta energy: -82.808
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: 2
=====================================
Write number: 218
Temperature: 1.150000
Total energy: -1016.585684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1016.585684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1016.585684 (E_RNA)
where:
Base-Base interactions energy: -683.970
where: short stacking energy: -292.165
Base-Backbone interact. energy: -1.928
local terms energy: -330.687982
where:
bonds (distance) C4'-P energy: -68.303
bonds (distance) P-C4' energy: -72.370
flat angles C4'-P-C4' energy: -65.916
flat angles P-C4'-P energy: -44.719
tors. eta vs tors. theta energy: -79.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 218
Temperature: 1.200000
Total energy: -997.346556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -997.346556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -997.346556 (E_RNA)
where:
Base-Base interactions energy: -690.277
where: short stacking energy: -290.628
Base-Backbone interact. energy: 1.453
local terms energy: -308.522179
where:
bonds (distance) C4'-P energy: -64.749
bonds (distance) P-C4' energy: -72.906
flat angles C4'-P-C4' energy: -70.234
flat angles P-C4'-P energy: -40.343
tors. eta vs tors. theta energy: -60.290
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: 1
=====================================
Write number: 218
Temperature: 1.250000
Total energy: -719.642009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -719.642009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -719.642009 (E_RNA)
where:
Base-Base interactions energy: -421.160
where: short stacking energy: -196.801
Base-Backbone interact. energy: -2.131
local terms energy: -296.350909
where:
bonds (distance) C4'-P energy: -68.873
bonds (distance) P-C4' energy: -71.800
flat angles C4'-P-C4' energy: -71.901
flat angles P-C4'-P energy: -38.791
tors. eta vs tors. theta energy: -44.986
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: 10
=====================================
Write number: 218
Temperature: 1.300000
Total energy: -580.167310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -580.167310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -580.167310 (E_RNA)
where:
Base-Base interactions energy: -321.716
where: short stacking energy: -151.094
Base-Backbone interact. energy: -2.805
local terms energy: -255.646516
where:
bonds (distance) C4'-P energy: -54.528
bonds (distance) P-C4' energy: -69.548
flat angles C4'-P-C4' energy: -66.173
flat angles P-C4'-P energy: -48.299
tors. eta vs tors. theta energy: -17.098
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: 4
=====================================
Write number: 218
Temperature: 1.350000
Total energy: -428.979312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.979312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.979312 (E_RNA)
where:
Base-Base interactions energy: -228.818
where: short stacking energy: -120.259
Base-Backbone interact. energy: -0.975
local terms energy: -199.186474
where:
bonds (distance) C4'-P energy: -64.187
bonds (distance) P-C4' energy: -64.099
flat angles C4'-P-C4' energy: -52.961
flat angles P-C4'-P energy: -25.695
tors. eta vs tors. theta energy: 7.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 219
Temperature: 0.900000
Total energy: -1406.255927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1406.255927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1406.255927 (E_RNA)
where:
Base-Base interactions energy: -978.008
where: short stacking energy: -402.942
Base-Backbone interact. energy: -1.310
local terms energy: -426.937905
where:
bonds (distance) C4'-P energy: -74.537
bonds (distance) P-C4' energy: -83.342
flat angles C4'-P-C4' energy: -91.325
flat angles P-C4'-P energy: -56.301
tors. eta vs tors. theta energy: -121.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 219
Temperature: 0.950000
Total energy: -1280.821985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1280.821985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1280.821985 (E_RNA)
where:
Base-Base interactions energy: -878.887
where: short stacking energy: -389.943
Base-Backbone interact. energy: -0.064
local terms energy: -401.870970
where:
bonds (distance) C4'-P energy: -66.185
bonds (distance) P-C4' energy: -81.094
flat angles C4'-P-C4' energy: -88.738
flat angles P-C4'-P energy: -50.019
tors. eta vs tors. theta energy: -115.835
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: 8
=====================================
Write number: 219
Temperature: 1.000000
Total energy: -1288.063248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1288.063248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1288.063248 (E_RNA)
where:
Base-Base interactions energy: -878.088
where: short stacking energy: -383.081
Base-Backbone interact. energy: -0.394
local terms energy: -409.581420
where:
bonds (distance) C4'-P energy: -83.623
bonds (distance) P-C4' energy: -64.197
flat angles C4'-P-C4' energy: -86.722
flat angles P-C4'-P energy: -61.249
tors. eta vs tors. theta energy: -113.790
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: 4, replica: 6
=====================================
Write number: 219
Temperature: 1.050000
Total energy: -1210.792747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1210.792747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1210.792747 (E_RNA)
where:
Base-Base interactions energy: -856.524
where: short stacking energy: -346.308
Base-Backbone interact. energy: -1.021
local terms energy: -353.248106
where:
bonds (distance) C4'-P energy: -56.561
bonds (distance) P-C4' energy: -68.828
flat angles C4'-P-C4' energy: -92.943
flat angles P-C4'-P energy: -43.450
tors. eta vs tors. theta energy: -91.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 219
Temperature: 1.100000
Total energy: -1178.253974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1178.253974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1178.253974 (E_RNA)
where:
Base-Base interactions energy: -809.798
where: short stacking energy: -346.384
Base-Backbone interact. energy: -2.424
local terms energy: -366.031207
where:
bonds (distance) C4'-P energy: -62.383
bonds (distance) P-C4' energy: -68.476
flat angles C4'-P-C4' energy: -83.438
flat angles P-C4'-P energy: -53.682
tors. eta vs tors. theta energy: -98.053
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: 2
=====================================
Write number: 219
Temperature: 1.150000
Total energy: -1019.658635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1019.658635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1019.658635 (E_RNA)
where:
Base-Base interactions energy: -701.625
where: short stacking energy: -305.543
Base-Backbone interact. energy: -0.478
local terms energy: -317.555536
where:
bonds (distance) C4'-P energy: -63.796
bonds (distance) P-C4' energy: -68.059
flat angles C4'-P-C4' energy: -74.843
flat angles P-C4'-P energy: -36.692
tors. eta vs tors. theta energy: -74.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 219
Temperature: 1.200000
Total energy: -1008.298342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1008.298342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1008.298342 (E_RNA)
where:
Base-Base interactions energy: -674.608
where: short stacking energy: -289.726
Base-Backbone interact. energy: 0.170
local terms energy: -333.860439
where:
bonds (distance) C4'-P energy: -72.104
bonds (distance) P-C4' energy: -77.717
flat angles C4'-P-C4' energy: -71.918
flat angles P-C4'-P energy: -43.445
tors. eta vs tors. theta energy: -68.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 219
Temperature: 1.250000
Total energy: -718.665744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -718.665744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -718.665744 (E_RNA)
where:
Base-Base interactions energy: -439.240
where: short stacking energy: -206.261
Base-Backbone interact. energy: -1.878
local terms energy: -277.548475
where:
bonds (distance) C4'-P energy: -68.843
bonds (distance) P-C4' energy: -64.926
flat angles C4'-P-C4' energy: -69.074
flat angles P-C4'-P energy: -35.067
tors. eta vs tors. theta energy: -39.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 219
Temperature: 1.300000
Total energy: -587.074141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -587.074141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -587.074141 (E_RNA)
where:
Base-Base interactions energy: -368.828
where: short stacking energy: -147.710
Base-Backbone interact. energy: -1.973
local terms energy: -216.272761
where:
bonds (distance) C4'-P energy: -54.269
bonds (distance) P-C4' energy: -54.539
flat angles C4'-P-C4' energy: -60.678
flat angles P-C4'-P energy: -32.316
tors. eta vs tors. theta energy: -14.471
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: 4
=====================================
Write number: 219
Temperature: 1.350000
Total energy: -469.200476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.200476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.200476 (E_RNA)
where:
Base-Base interactions energy: -261.589
where: short stacking energy: -161.964
Base-Backbone interact. energy: 5.845
local terms energy: -213.456075
where:
bonds (distance) C4'-P energy: -60.044
bonds (distance) P-C4' energy: -58.807
flat angles C4'-P-C4' energy: -47.164
flat angles P-C4'-P energy: -36.268
tors. eta vs tors. theta energy: -11.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 220
Temperature: 0.900000
Total energy: -1395.896787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1395.896787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1395.896787 (E_RNA)
where:
Base-Base interactions energy: -971.347
where: short stacking energy: -403.551
Base-Backbone interact. energy: -0.588
local terms energy: -423.961346
where:
bonds (distance) C4'-P energy: -76.862
bonds (distance) P-C4' energy: -84.680
flat angles C4'-P-C4' energy: -83.472
flat angles P-C4'-P energy: -60.533
tors. eta vs tors. theta energy: -118.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 220
Temperature: 0.950000
Total energy: -1258.044649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1258.044649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1258.044649 (E_RNA)
where:
Base-Base interactions energy: -872.648
where: short stacking energy: -372.531
Base-Backbone interact. energy: -0.622
local terms energy: -384.775119
where:
bonds (distance) C4'-P energy: -62.359
bonds (distance) P-C4' energy: -75.386
flat angles C4'-P-C4' energy: -84.089
flat angles P-C4'-P energy: -55.479
tors. eta vs tors. theta energy: -107.461
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: 8
=====================================
Write number: 220
Temperature: 1.000000
Total energy: -1278.607747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1278.607747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1278.607747 (E_RNA)
where:
Base-Base interactions energy: -867.399
where: short stacking energy: -368.496
Base-Backbone interact. energy: -1.684
local terms energy: -409.524952
where:
bonds (distance) C4'-P energy: -73.149
bonds (distance) P-C4' energy: -71.723
flat angles C4'-P-C4' energy: -83.122
flat angles P-C4'-P energy: -66.539
tors. eta vs tors. theta energy: -114.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 220
Temperature: 1.050000
Total energy: -1217.680376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1217.680376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1217.680376 (E_RNA)
where:
Base-Base interactions energy: -853.192
where: short stacking energy: -343.594
Base-Backbone interact. energy: -2.233
local terms energy: -362.255817
where:
bonds (distance) C4'-P energy: -67.464
bonds (distance) P-C4' energy: -71.054
flat angles C4'-P-C4' energy: -82.155
flat angles P-C4'-P energy: -55.969
tors. eta vs tors. theta energy: -85.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 220
Temperature: 1.100000
Total energy: -1195.407580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1195.407580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1195.407580 (E_RNA)
where:
Base-Base interactions energy: -820.330
where: short stacking energy: -357.906
Base-Backbone interact. energy: -1.751
local terms energy: -373.327365
where:
bonds (distance) C4'-P energy: -61.274
bonds (distance) P-C4' energy: -80.704
flat angles C4'-P-C4' energy: -82.225
flat angles P-C4'-P energy: -46.971
tors. eta vs tors. theta energy: -102.154
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: 6, replica: 2
=====================================
Write number: 220
Temperature: 1.150000
Total energy: -989.102953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -989.102953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -989.102953 (E_RNA)
where:
Base-Base interactions energy: -678.258
where: short stacking energy: -328.599
Base-Backbone interact. energy: -0.322
local terms energy: -310.522623
where:
bonds (distance) C4'-P energy: -62.680
bonds (distance) P-C4' energy: -61.914
flat angles C4'-P-C4' energy: -65.010
flat angles P-C4'-P energy: -49.552
tors. eta vs tors. theta energy: -71.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 220
Temperature: 1.200000
Total energy: -1019.732502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1019.732502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1019.732502 (E_RNA)
where:
Base-Base interactions energy: -690.887
where: short stacking energy: -275.854
Base-Backbone interact. energy: -3.774
local terms energy: -325.071274
where:
bonds (distance) C4'-P energy: -65.248
bonds (distance) P-C4' energy: -67.632
flat angles C4'-P-C4' energy: -75.003
flat angles P-C4'-P energy: -46.252
tors. eta vs tors. theta energy: -70.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 220
Temperature: 1.250000
Total energy: -730.789554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -730.789554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -730.789554 (E_RNA)
where:
Base-Base interactions energy: -435.657
where: short stacking energy: -205.203
Base-Backbone interact. energy: 2.292
local terms energy: -297.425032
where:
bonds (distance) C4'-P energy: -79.785
bonds (distance) P-C4' energy: -71.214
flat angles C4'-P-C4' energy: -65.985
flat angles P-C4'-P energy: -44.612
tors. eta vs tors. theta energy: -35.829
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: 10
=====================================
Write number: 220
Temperature: 1.300000
Total energy: -628.776458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -628.776458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -628.776458 (E_RNA)
where:
Base-Base interactions energy: -402.610
where: short stacking energy: -177.821
Base-Backbone interact. energy: -0.990
local terms energy: -225.176396
where:
bonds (distance) C4'-P energy: -55.738
bonds (distance) P-C4' energy: -58.451
flat angles C4'-P-C4' energy: -64.468
flat angles P-C4'-P energy: -15.127
tors. eta vs tors. theta energy: -31.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 220
Temperature: 1.350000
Total energy: -382.054644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.054644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.054644 (E_RNA)
where:
Base-Base interactions energy: -172.133
where: short stacking energy: -93.821
Base-Backbone interact. energy: -0.303
local terms energy: -209.618374
where:
bonds (distance) C4'-P energy: -51.932
bonds (distance) P-C4' energy: -70.190
flat angles C4'-P-C4' energy: -62.318
flat angles P-C4'-P energy: -29.859
tors. eta vs tors. theta energy: 4.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 221
Temperature: 0.900000
Total energy: -1397.699378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1397.699378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1397.699378 (E_RNA)
where:
Base-Base interactions energy: -983.329
where: short stacking energy: -406.595
Base-Backbone interact. energy: -1.069
local terms energy: -413.301072
where:
bonds (distance) C4'-P energy: -77.671
bonds (distance) P-C4' energy: -77.328
flat angles C4'-P-C4' energy: -84.059
flat angles P-C4'-P energy: -56.237
tors. eta vs tors. theta energy: -118.006
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: 8
=====================================
Write number: 221
Temperature: 0.950000
Total energy: -1306.568771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1306.568771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1306.568771 (E_RNA)
where:
Base-Base interactions energy: -904.599
where: short stacking energy: -383.975
Base-Backbone interact. energy: -2.993
local terms energy: -398.976491
where:
bonds (distance) C4'-P energy: -72.315
bonds (distance) P-C4' energy: -72.888
flat angles C4'-P-C4' energy: -83.680
flat angles P-C4'-P energy: -58.762
tors. eta vs tors. theta energy: -111.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 221
Temperature: 1.000000
Total energy: -1235.849212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1235.849212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1235.849212 (E_RNA)
where:
Base-Base interactions energy: -841.727
where: short stacking energy: -359.960
Base-Backbone interact. energy: -2.780
local terms energy: -391.342100
where:
bonds (distance) C4'-P energy: -76.152
bonds (distance) P-C4' energy: -84.821
flat angles C4'-P-C4' energy: -82.395
flat angles P-C4'-P energy: -48.154
tors. eta vs tors. theta energy: -99.821
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: 4, replica: 6
=====================================
Write number: 221
Temperature: 1.050000
Total energy: -1243.258805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1243.258805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1243.258805 (E_RNA)
where:
Base-Base interactions energy: -880.007
where: short stacking energy: -338.801
Base-Backbone interact. energy: -2.677
local terms energy: -360.574567
where:
bonds (distance) C4'-P energy: -71.920
bonds (distance) P-C4' energy: -77.828
flat angles C4'-P-C4' energy: -78.273
flat angles P-C4'-P energy: -48.257
tors. eta vs tors. theta energy: -84.297
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: 3
=====================================
Write number: 221
Temperature: 1.100000
Total energy: -1187.168498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1187.168498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1187.168498 (E_RNA)
where:
Base-Base interactions energy: -813.625
where: short stacking energy: -339.688
Base-Backbone interact. energy: -1.872
local terms energy: -371.671728
where:
bonds (distance) C4'-P energy: -68.985
bonds (distance) P-C4' energy: -73.559
flat angles C4'-P-C4' energy: -70.964
flat angles P-C4'-P energy: -66.514
tors. eta vs tors. theta energy: -91.650
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: 6, replica: 2
=====================================
Write number: 221
Temperature: 1.150000
Total energy: -1006.984561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1006.984561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1006.984561 (E_RNA)
where:
Base-Base interactions energy: -671.457
where: short stacking energy: -296.372
Base-Backbone interact. energy: -3.022
local terms energy: -332.505683
where:
bonds (distance) C4'-P energy: -60.561
bonds (distance) P-C4' energy: -73.403
flat angles C4'-P-C4' energy: -78.534
flat angles P-C4'-P energy: -44.608
tors. eta vs tors. theta energy: -75.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 221
Temperature: 1.200000
Total energy: -977.875722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -977.875722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -977.875722 (E_RNA)
where:
Base-Base interactions energy: -661.097
where: short stacking energy: -262.618
Base-Backbone interact. energy: 0.733
local terms energy: -317.511272
where:
bonds (distance) C4'-P energy: -58.860
bonds (distance) P-C4' energy: -70.785
flat angles C4'-P-C4' energy: -80.488
flat angles P-C4'-P energy: -48.545
tors. eta vs tors. theta energy: -58.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 221
Temperature: 1.250000
Total energy: -775.300451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -775.300451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -775.300451 (E_RNA)
where:
Base-Base interactions energy: -477.426
where: short stacking energy: -234.501
Base-Backbone interact. energy: -3.756
local terms energy: -294.118044
where:
bonds (distance) C4'-P energy: -57.073
bonds (distance) P-C4' energy: -81.468
flat angles C4'-P-C4' energy: -59.372
flat angles P-C4'-P energy: -46.510
tors. eta vs tors. theta energy: -49.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 221
Temperature: 1.300000
Total energy: -612.125532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -612.125532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -612.125532 (E_RNA)
where:
Base-Base interactions energy: -364.532
where: short stacking energy: -168.647
Base-Backbone interact. energy: 2.288
local terms energy: -251.368138
where:
bonds (distance) C4'-P energy: -70.910
bonds (distance) P-C4' energy: -63.814
flat angles C4'-P-C4' energy: -55.786
flat angles P-C4'-P energy: -41.929
tors. eta vs tors. theta energy: -18.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.487 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 221
Temperature: 1.350000
Total energy: -388.066716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.066716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.066716 (E_RNA)
where:
Base-Base interactions energy: -177.407
where: short stacking energy: -103.740
Base-Backbone interact. energy: 5.280
local terms energy: -215.938974
where:
bonds (distance) C4'-P energy: -60.663
bonds (distance) P-C4' energy: -70.774
flat angles C4'-P-C4' energy: -52.846
flat angles P-C4'-P energy: -29.711
tors. eta vs tors. theta energy: -1.946
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: 1, replica: 5
=====================================
Write number: 222
Temperature: 0.900000
Total energy: -1412.106651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1412.106651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1412.106651 (E_RNA)
where:
Base-Base interactions energy: -975.403
where: short stacking energy: -408.920
Base-Backbone interact. energy: -1.264
local terms energy: -435.439595
where:
bonds (distance) C4'-P energy: -81.169
bonds (distance) P-C4' energy: -79.198
flat angles C4'-P-C4' energy: -88.317
flat angles P-C4'-P energy: -65.869
tors. eta vs tors. theta energy: -120.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 222
Temperature: 0.950000
Total energy: -1327.496093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1327.496093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1327.496093 (E_RNA)
where:
Base-Base interactions energy: -901.681
where: short stacking energy: -393.744
Base-Backbone interact. energy: -4.060
local terms energy: -421.754894
where:
bonds (distance) C4'-P energy: -77.984
bonds (distance) P-C4' energy: -79.893
flat angles C4'-P-C4' energy: -79.455
flat angles P-C4'-P energy: -58.674
tors. eta vs tors. theta energy: -125.748
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: 6
=====================================
Write number: 222
Temperature: 1.000000
Total energy: -1258.092718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1258.092718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1258.092718 (E_RNA)
where:
Base-Base interactions energy: -866.567
where: short stacking energy: -340.639
Base-Backbone interact. energy: -0.954
local terms energy: -390.572643
where:
bonds (distance) C4'-P energy: -69.172
bonds (distance) P-C4' energy: -74.938
flat angles C4'-P-C4' energy: -90.432
flat angles P-C4'-P energy: -61.959
tors. eta vs tors. theta energy: -94.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 222
Temperature: 1.050000
Total energy: -1238.728619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1238.728619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1238.728619 (E_RNA)
where:
Base-Base interactions energy: -845.127
where: short stacking energy: -373.715
Base-Backbone interact. energy: 0.466
local terms energy: -394.067897
where:
bonds (distance) C4'-P energy: -65.345
bonds (distance) P-C4' energy: -76.307
flat angles C4'-P-C4' energy: -83.360
flat angles P-C4'-P energy: -58.514
tors. eta vs tors. theta energy: -110.542
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: 3
=====================================
Write number: 222
Temperature: 1.100000
Total energy: -1160.336574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1160.336574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1160.336574 (E_RNA)
where:
Base-Base interactions energy: -787.804
where: short stacking energy: -340.892
Base-Backbone interact. energy: -0.646
local terms energy: -371.886671
where:
bonds (distance) C4'-P energy: -60.187
bonds (distance) P-C4' energy: -74.302
flat angles C4'-P-C4' energy: -80.961
flat angles P-C4'-P energy: -64.642
tors. eta vs tors. theta energy: -91.795
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: 2
=====================================
Write number: 222
Temperature: 1.150000
Total energy: -1008.888376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1008.888376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1008.888376 (E_RNA)
where:
Base-Base interactions energy: -682.218
where: short stacking energy: -285.453
Base-Backbone interact. energy: 1.135
local terms energy: -327.805869
where:
bonds (distance) C4'-P energy: -69.497
bonds (distance) P-C4' energy: -69.311
flat angles C4'-P-C4' energy: -65.621
flat angles P-C4'-P energy: -52.517
tors. eta vs tors. theta energy: -70.859
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: 9
=====================================
Write number: 222
Temperature: 1.200000
Total energy: -997.722165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -997.722165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -997.722165 (E_RNA)
where:
Base-Base interactions energy: -680.988
where: short stacking energy: -297.825
Base-Backbone interact. energy: 0.610
local terms energy: -317.344089
where:
bonds (distance) C4'-P energy: -49.484
bonds (distance) P-C4' energy: -68.961
flat angles C4'-P-C4' energy: -70.584
flat angles P-C4'-P energy: -44.447
tors. eta vs tors. theta energy: -83.868
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: 1
=====================================
Write number: 222
Temperature: 1.250000
Total energy: -729.054333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -729.054333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -729.054333 (E_RNA)
where:
Base-Base interactions energy: -435.538
where: short stacking energy: -233.347
Base-Backbone interact. energy: -1.573
local terms energy: -291.943323
where:
bonds (distance) C4'-P energy: -65.995
bonds (distance) P-C4' energy: -80.364
flat angles C4'-P-C4' energy: -60.350
flat angles P-C4'-P energy: -39.271
tors. eta vs tors. theta energy: -45.963
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: 10
=====================================
Write number: 222
Temperature: 1.300000
Total energy: -620.923470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -620.923470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -620.923470 (E_RNA)
where:
Base-Base interactions energy: -343.583
where: short stacking energy: -175.215
Base-Backbone interact. energy: -2.146
local terms energy: -275.194264
where:
bonds (distance) C4'-P energy: -62.713
bonds (distance) P-C4' energy: -77.023
flat angles C4'-P-C4' energy: -65.936
flat angles P-C4'-P energy: -49.561
tors. eta vs tors. theta energy: -19.961
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: 10, replica: 4
=====================================
Write number: 222
Temperature: 1.350000
Total energy: -412.288586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.288586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.288586 (E_RNA)
where:
Base-Base interactions energy: -199.711
where: short stacking energy: -128.776
Base-Backbone interact. energy: 3.253
local terms energy: -215.830954
where:
bonds (distance) C4'-P energy: -53.820
bonds (distance) P-C4' energy: -53.677
flat angles C4'-P-C4' energy: -54.351
flat angles P-C4'-P energy: -45.280
tors. eta vs tors. theta energy: -8.703
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: 5
=====================================
Write number: 223
Temperature: 0.900000
Total energy: -1382.465829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1382.465829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1382.465829 (E_RNA)
where:
Base-Base interactions energy: -952.717
where: short stacking energy: -396.745
Base-Backbone interact. energy: -0.396
local terms energy: -429.352832
where:
bonds (distance) C4'-P energy: -79.628
bonds (distance) P-C4' energy: -85.399
flat angles C4'-P-C4' energy: -90.938
flat angles P-C4'-P energy: -60.282
tors. eta vs tors. theta energy: -113.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 223
Temperature: 0.950000
Total energy: -1342.775253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1342.775253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1342.775253 (E_RNA)
where:
Base-Base interactions energy: -926.795
where: short stacking energy: -409.273
Base-Backbone interact. energy: -0.600
local terms energy: -415.380781
where:
bonds (distance) C4'-P energy: -73.639
bonds (distance) P-C4' energy: -78.559
flat angles C4'-P-C4' energy: -80.696
flat angles P-C4'-P energy: -60.424
tors. eta vs tors. theta energy: -122.062
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: 6
=====================================
Write number: 223
Temperature: 1.000000
Total energy: -1279.323187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1279.323187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1279.323187 (E_RNA)
where:
Base-Base interactions energy: -915.155
where: short stacking energy: -364.518
Base-Backbone interact. energy: 1.444
local terms energy: -365.611896
where:
bonds (distance) C4'-P energy: -73.808
bonds (distance) P-C4' energy: -61.885
flat angles C4'-P-C4' energy: -83.205
flat angles P-C4'-P energy: -52.606
tors. eta vs tors. theta energy: -94.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 223
Temperature: 1.050000
Total energy: -1215.310822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1215.310822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1215.310822 (E_RNA)
where:
Base-Base interactions energy: -832.157
where: short stacking energy: -363.061
Base-Backbone interact. energy: -1.074
local terms energy: -382.079254
where:
bonds (distance) C4'-P energy: -65.936
bonds (distance) P-C4' energy: -70.983
flat angles C4'-P-C4' energy: -89.215
flat angles P-C4'-P energy: -57.963
tors. eta vs tors. theta energy: -97.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 223
Temperature: 1.100000
Total energy: -1215.921893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1215.921893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1215.921893 (E_RNA)
where:
Base-Base interactions energy: -846.499
where: short stacking energy: -352.980
Base-Backbone interact. energy: -2.165
local terms energy: -367.258346
where:
bonds (distance) C4'-P energy: -64.785
bonds (distance) P-C4' energy: -59.493
flat angles C4'-P-C4' energy: -91.180
flat angles P-C4'-P energy: -57.221
tors. eta vs tors. theta energy: -94.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 223
Temperature: 1.150000
Total energy: -1067.681531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1067.681531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1067.681531 (E_RNA)
where:
Base-Base interactions energy: -721.880
where: short stacking energy: -329.589
Base-Backbone interact. energy: -0.957
local terms energy: -344.844147
where:
bonds (distance) C4'-P energy: -63.795
bonds (distance) P-C4' energy: -73.231
flat angles C4'-P-C4' energy: -77.621
flat angles P-C4'-P energy: -45.952
tors. eta vs tors. theta energy: -84.246
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: 2
=====================================
Write number: 223
Temperature: 1.200000
Total energy: -982.684142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -982.684142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -982.684142 (E_RNA)
where:
Base-Base interactions energy: -664.721
where: short stacking energy: -277.589
Base-Backbone interact. energy: 1.641
local terms energy: -319.604286
where:
bonds (distance) C4'-P energy: -57.538
bonds (distance) P-C4' energy: -72.984
flat angles C4'-P-C4' energy: -78.629
flat angles P-C4'-P energy: -38.540
tors. eta vs tors. theta energy: -71.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 223
Temperature: 1.250000
Total energy: -695.856579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -695.856579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -695.856579 (E_RNA)
where:
Base-Base interactions energy: -424.144
where: short stacking energy: -209.025
Base-Backbone interact. energy: -0.003
local terms energy: -271.709778
where:
bonds (distance) C4'-P energy: -60.042
bonds (distance) P-C4' energy: -76.704
flat angles C4'-P-C4' energy: -53.487
flat angles P-C4'-P energy: -39.229
tors. eta vs tors. theta energy: -42.247
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: 9, replica: 10
=====================================
Write number: 223
Temperature: 1.300000
Total energy: -647.786933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -647.786933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -647.786933 (E_RNA)
where:
Base-Base interactions energy: -411.945
where: short stacking energy: -205.030
Base-Backbone interact. energy: -0.229
local terms energy: -236.276250
where:
bonds (distance) C4'-P energy: -60.886
bonds (distance) P-C4' energy: -57.781
flat angles C4'-P-C4' energy: -61.326
flat angles P-C4'-P energy: -30.003
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: 0.663 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 223
Temperature: 1.350000
Total energy: -428.143983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.143983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.143983 (E_RNA)
where:
Base-Base interactions energy: -229.884
where: short stacking energy: -122.709
Base-Backbone interact. energy: 1.869
local terms energy: -200.129861
where:
bonds (distance) C4'-P energy: -51.071
bonds (distance) P-C4' energy: -59.977
flat angles C4'-P-C4' energy: -56.571
flat angles P-C4'-P energy: -36.856
tors. eta vs tors. theta energy: 4.345
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: 5
=====================================
Write number: 224
Temperature: 0.900000
Total energy: -1391.664461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1391.664461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1391.664461 (E_RNA)
where:
Base-Base interactions energy: -990.738
where: short stacking energy: -407.548
Base-Backbone interact. energy: 0.140
local terms energy: -401.066568
where:
bonds (distance) C4'-P energy: -76.757
bonds (distance) P-C4' energy: -81.551
flat angles C4'-P-C4' energy: -81.998
flat angles P-C4'-P energy: -46.056
tors. eta vs tors. theta energy: -114.704
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: 8
=====================================
Write number: 224
Temperature: 0.950000
Total energy: -1324.443646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1324.443646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1324.443646 (E_RNA)
where:
Base-Base interactions energy: -899.068
where: short stacking energy: -387.422
Base-Backbone interact. energy: -1.855
local terms energy: -423.520096
where:
bonds (distance) C4'-P energy: -86.777
bonds (distance) P-C4' energy: -74.652
flat angles C4'-P-C4' energy: -78.141
flat angles P-C4'-P energy: -62.660
tors. eta vs tors. theta energy: -121.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 224
Temperature: 1.000000
Total energy: -1261.896157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1261.896157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1261.896157 (E_RNA)
where:
Base-Base interactions energy: -874.603
where: short stacking energy: -347.723
Base-Backbone interact. energy: -2.035
local terms energy: -385.258143
where:
bonds (distance) C4'-P energy: -74.089
bonds (distance) P-C4' energy: -72.989
flat angles C4'-P-C4' energy: -80.619
flat angles P-C4'-P energy: -60.386
tors. eta vs tors. theta energy: -97.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 224
Temperature: 1.050000
Total energy: -1202.971642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1202.971642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1202.971642 (E_RNA)
where:
Base-Base interactions energy: -822.559
where: short stacking energy: -360.255
Base-Backbone interact. energy: -2.220
local terms energy: -378.193003
where:
bonds (distance) C4'-P energy: -71.987
bonds (distance) P-C4' energy: -71.922
flat angles C4'-P-C4' energy: -91.366
flat angles P-C4'-P energy: -43.782
tors. eta vs tors. theta energy: -99.136
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: 3
=====================================
Write number: 224
Temperature: 1.100000
Total energy: -1171.755580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1171.755580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1171.755580 (E_RNA)
where:
Base-Base interactions energy: -826.626
where: short stacking energy: -362.384
Base-Backbone interact. energy: 1.002
local terms energy: -346.132360
where:
bonds (distance) C4'-P energy: -58.403
bonds (distance) P-C4' energy: -56.722
flat angles C4'-P-C4' energy: -85.013
flat angles P-C4'-P energy: -49.082
tors. eta vs tors. theta energy: -96.911
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: 6, replica: 9
=====================================
Write number: 224
Temperature: 1.150000
Total energy: -1018.808420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1018.808420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1018.808420 (E_RNA)
where:
Base-Base interactions energy: -699.535
where: short stacking energy: -287.757
Base-Backbone interact. energy: -0.584
local terms energy: -318.688920
where:
bonds (distance) C4'-P energy: -73.947
bonds (distance) P-C4' energy: -57.308
flat angles C4'-P-C4' energy: -71.158
flat angles P-C4'-P energy: -49.326
tors. eta vs tors. theta energy: -66.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 224
Temperature: 1.200000
Total energy: -967.137700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -967.137700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -967.137700 (E_RNA)
where:
Base-Base interactions energy: -643.641
where: short stacking energy: -294.295
Base-Backbone interact. energy: -3.133
local terms energy: -320.363522
where:
bonds (distance) C4'-P energy: -72.336
bonds (distance) P-C4' energy: -61.077
flat angles C4'-P-C4' energy: -70.351
flat angles P-C4'-P energy: -44.007
tors. eta vs tors. theta energy: -72.593
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: 8, replica: 1
=====================================
Write number: 224
Temperature: 1.250000
Total energy: -721.721583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -721.721583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -721.721583 (E_RNA)
where:
Base-Base interactions energy: -441.800
where: short stacking energy: -206.506
Base-Backbone interact. energy: 0.007
local terms energy: -279.929182
where:
bonds (distance) C4'-P energy: -63.021
bonds (distance) P-C4' energy: -64.652
flat angles C4'-P-C4' energy: -69.294
flat angles P-C4'-P energy: -42.595
tors. eta vs tors. theta energy: -40.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 224
Temperature: 1.300000
Total energy: -643.187105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -643.187105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -643.187105 (E_RNA)
where:
Base-Base interactions energy: -397.559
where: short stacking energy: -201.085
Base-Backbone interact. energy: -1.218
local terms energy: -244.654641
where:
bonds (distance) C4'-P energy: -49.285
bonds (distance) P-C4' energy: -66.699
flat angles C4'-P-C4' energy: -67.706
flat angles P-C4'-P energy: -31.321
tors. eta vs tors. theta energy: -29.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.244 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 224
Temperature: 1.350000
Total energy: -376.572390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.572390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.572390 (E_RNA)
where:
Base-Base interactions energy: -159.037
where: short stacking energy: -84.981
Base-Backbone interact. energy: 2.368
local terms energy: -219.903398
where:
bonds (distance) C4'-P energy: -59.923
bonds (distance) P-C4' energy: -71.841
flat angles C4'-P-C4' energy: -49.643
flat angles P-C4'-P energy: -40.065
tors. eta vs tors. theta energy: 1.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 225
Temperature: 0.900000
Total energy: -1389.641534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1389.641534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1389.641534 (E_RNA)
where:
Base-Base interactions energy: -973.317
where: short stacking energy: -407.393
Base-Backbone interact. energy: -1.922
local terms energy: -414.402462
where:
bonds (distance) C4'-P energy: -77.379
bonds (distance) P-C4' energy: -80.369
flat angles C4'-P-C4' energy: -82.568
flat angles P-C4'-P energy: -53.841
tors. eta vs tors. theta energy: -120.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 225
Temperature: 0.950000
Total energy: -1333.947264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1333.947264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1333.947264 (E_RNA)
where:
Base-Base interactions energy: -924.256
where: short stacking energy: -402.185
Base-Backbone interact. energy: -1.554
local terms energy: -408.137832
where:
bonds (distance) C4'-P energy: -75.839
bonds (distance) P-C4' energy: -75.820
flat angles C4'-P-C4' energy: -77.827
flat angles P-C4'-P energy: -57.703
tors. eta vs tors. theta energy: -120.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 225
Temperature: 1.000000
Total energy: -1248.615973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1248.615973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1248.615973 (E_RNA)
where:
Base-Base interactions energy: -878.142
where: short stacking energy: -351.391
Base-Backbone interact. energy: -0.099
local terms energy: -370.900842
where:
bonds (distance) C4'-P energy: -70.305
bonds (distance) P-C4' energy: -70.346
flat angles C4'-P-C4' energy: -82.807
flat angles P-C4'-P energy: -52.899
tors. eta vs tors. theta energy: -94.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.526 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 225
Temperature: 1.050000
Total energy: -1201.127696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1201.127696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1201.127696 (E_RNA)
where:
Base-Base interactions energy: -831.096
where: short stacking energy: -346.096
Base-Backbone interact. energy: -0.833
local terms energy: -369.198393
where:
bonds (distance) C4'-P energy: -68.293
bonds (distance) P-C4' energy: -59.559
flat angles C4'-P-C4' energy: -85.691
flat angles P-C4'-P energy: -52.349
tors. eta vs tors. theta energy: -103.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 225
Temperature: 1.100000
Total energy: -1196.041233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1196.041233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1196.041233 (E_RNA)
where:
Base-Base interactions energy: -806.289
where: short stacking energy: -346.538
Base-Backbone interact. energy: -1.080
local terms energy: -388.672207
where:
bonds (distance) C4'-P energy: -69.025
bonds (distance) P-C4' energy: -84.021
flat angles C4'-P-C4' energy: -81.842
flat angles P-C4'-P energy: -51.838
tors. eta vs tors. theta energy: -101.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 225
Temperature: 1.150000
Total energy: -1061.990144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1061.990144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1061.990144 (E_RNA)
where:
Base-Base interactions energy: -729.431
where: short stacking energy: -304.461
Base-Backbone interact. energy: -2.053
local terms energy: -330.506085
where:
bonds (distance) C4'-P energy: -68.517
bonds (distance) P-C4' energy: -74.741
flat angles C4'-P-C4' energy: -75.448
flat angles P-C4'-P energy: -40.107
tors. eta vs tors. theta energy: -71.693
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: 2
=====================================
Write number: 225
Temperature: 1.200000
Total energy: -932.788272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -932.788272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -932.788272 (E_RNA)
where:
Base-Base interactions energy: -602.555
where: short stacking energy: -257.875
Base-Backbone interact. energy: -3.206
local terms energy: -327.027204
where:
bonds (distance) C4'-P energy: -66.958
bonds (distance) P-C4' energy: -77.930
flat angles C4'-P-C4' energy: -62.858
flat angles P-C4'-P energy: -52.362
tors. eta vs tors. theta energy: -66.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 225
Temperature: 1.250000
Total energy: -680.513596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -680.513596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -680.513596 (E_RNA)
where:
Base-Base interactions energy: -437.648
where: short stacking energy: -211.260
Base-Backbone interact. energy: 0.353
local terms energy: -243.219390
where:
bonds (distance) C4'-P energy: -64.275
bonds (distance) P-C4' energy: -58.568
flat angles C4'-P-C4' energy: -50.496
flat angles P-C4'-P energy: -41.677
tors. eta vs tors. theta energy: -28.202
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: 10
=====================================
Write number: 225
Temperature: 1.300000
Total energy: -623.123345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -623.123345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -623.123345 (E_RNA)
where:
Base-Base interactions energy: -361.449
where: short stacking energy: -181.398
Base-Backbone interact. energy: -3.000
local terms energy: -258.708232
where:
bonds (distance) C4'-P energy: -59.806
bonds (distance) P-C4' energy: -66.709
flat angles C4'-P-C4' energy: -60.571
flat angles P-C4'-P energy: -36.627
tors. eta vs tors. theta energy: -34.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.033 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 225
Temperature: 1.350000
Total energy: -400.536122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.536122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -400.536122 (E_RNA)
where:
Base-Base interactions energy: -194.163
where: short stacking energy: -120.577
Base-Backbone interact. energy: 2.139
local terms energy: -208.512743
where:
bonds (distance) C4'-P energy: -61.677
bonds (distance) P-C4' energy: -55.439
flat angles C4'-P-C4' energy: -54.265
flat angles P-C4'-P energy: -37.189
tors. eta vs tors. theta energy: 0.056
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: 1, replica: 5
=====================================
Write number: 226
Temperature: 0.900000
Total energy: -1402.383148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1402.383148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1402.383148 (E_RNA)
where:
Base-Base interactions energy: -986.519
where: short stacking energy: -407.919
Base-Backbone interact. energy: -1.431
local terms energy: -414.433332
where:
bonds (distance) C4'-P energy: -79.953
bonds (distance) P-C4' energy: -79.213
flat angles C4'-P-C4' energy: -85.192
flat angles P-C4'-P energy: -57.667
tors. eta vs tors. theta energy: -112.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 226
Temperature: 0.950000
Total energy: -1339.309260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1339.309260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1339.309260 (E_RNA)
where:
Base-Base interactions energy: -916.217
where: short stacking energy: -394.034
Base-Backbone interact. energy: -1.898
local terms energy: -421.194141
where:
bonds (distance) C4'-P energy: -74.574
bonds (distance) P-C4' energy: -82.568
flat angles C4'-P-C4' energy: -88.356
flat angles P-C4'-P energy: -53.937
tors. eta vs tors. theta energy: -121.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 226
Temperature: 1.000000
Total energy: -1265.447627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1265.447627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1265.447627 (E_RNA)
where:
Base-Base interactions energy: -880.484
where: short stacking energy: -331.758
Base-Backbone interact. energy: 2.225
local terms energy: -387.188480
where:
bonds (distance) C4'-P energy: -70.485
bonds (distance) P-C4' energy: -84.494
flat angles C4'-P-C4' energy: -84.021
flat angles P-C4'-P energy: -57.277
tors. eta vs tors. theta energy: -90.911
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: 3
=====================================
Write number: 226
Temperature: 1.050000
Total energy: -1208.112035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1208.112035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1208.112035 (E_RNA)
where:
Base-Base interactions energy: -826.149
where: short stacking energy: -348.201
Base-Backbone interact. energy: -2.323
local terms energy: -379.639142
where:
bonds (distance) C4'-P energy: -69.937
bonds (distance) P-C4' energy: -72.786
flat angles C4'-P-C4' energy: -85.971
flat angles P-C4'-P energy: -53.276
tors. eta vs tors. theta energy: -97.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 226
Temperature: 1.100000
Total energy: -1196.281327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1196.281327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1196.281327 (E_RNA)
where:
Base-Base interactions energy: -827.205
where: short stacking energy: -362.885
Base-Backbone interact. energy: -3.237
local terms energy: -365.839892
where:
bonds (distance) C4'-P energy: -62.144
bonds (distance) P-C4' energy: -66.621
flat angles C4'-P-C4' energy: -79.576
flat angles P-C4'-P energy: -51.727
tors. eta vs tors. theta energy: -105.771
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: 9
=====================================
Write number: 226
Temperature: 1.150000
Total energy: -1091.284331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1091.284331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1091.284331 (E_RNA)
where:
Base-Base interactions energy: -739.060
where: short stacking energy: -308.235
Base-Backbone interact. energy: -1.835
local terms energy: -350.389309
where:
bonds (distance) C4'-P energy: -75.789
bonds (distance) P-C4' energy: -76.275
flat angles C4'-P-C4' energy: -70.428
flat angles P-C4'-P energy: -49.074
tors. eta vs tors. theta energy: -78.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 226
Temperature: 1.200000
Total energy: -980.329941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -980.329941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -980.329941 (E_RNA)
where:
Base-Base interactions energy: -637.089
where: short stacking energy: -277.134
Base-Backbone interact. energy: -2.125
local terms energy: -341.115699
where:
bonds (distance) C4'-P energy: -69.533
bonds (distance) P-C4' energy: -79.319
flat angles C4'-P-C4' energy: -69.689
flat angles P-C4'-P energy: -48.868
tors. eta vs tors. theta energy: -73.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 226
Temperature: 1.250000
Total energy: -656.630753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -656.630753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -656.630753 (E_RNA)
where:
Base-Base interactions energy: -388.433
where: short stacking energy: -215.584
Base-Backbone interact. energy: 0.510
local terms energy: -268.707828
where:
bonds (distance) C4'-P energy: -61.811
bonds (distance) P-C4' energy: -75.559
flat angles C4'-P-C4' energy: -51.409
flat angles P-C4'-P energy: -36.676
tors. eta vs tors. theta energy: -43.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 226
Temperature: 1.300000
Total energy: -641.615915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -641.615915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -641.615915 (E_RNA)
where:
Base-Base interactions energy: -385.261
where: short stacking energy: -174.480
Base-Backbone interact. energy: 3.549
local terms energy: -259.904314
where:
bonds (distance) C4'-P energy: -60.652
bonds (distance) P-C4' energy: -70.342
flat angles C4'-P-C4' energy: -54.589
flat angles P-C4'-P energy: -40.909
tors. eta vs tors. theta energy: -33.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 226
Temperature: 1.350000
Total energy: -431.966981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.966981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.966981 (E_RNA)
where:
Base-Base interactions energy: -212.980
where: short stacking energy: -122.294
Base-Backbone interact. energy: 0.288
local terms energy: -219.275041
where:
bonds (distance) C4'-P energy: -75.162
bonds (distance) P-C4' energy: -67.111
flat angles C4'-P-C4' energy: -48.847
flat angles P-C4'-P energy: -25.304
tors. eta vs tors. theta energy: -2.851
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: 5
=====================================
Write number: 227
Temperature: 0.900000
Total energy: -1391.905054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1391.905054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1391.905054 (E_RNA)
where:
Base-Base interactions energy: -976.885
where: short stacking energy: -412.892
Base-Backbone interact. energy: -1.498
local terms energy: -413.521653
where:
bonds (distance) C4'-P energy: -74.551
bonds (distance) P-C4' energy: -73.089
flat angles C4'-P-C4' energy: -88.660
flat angles P-C4'-P energy: -61.567
tors. eta vs tors. theta energy: -115.655
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: 2, replica: 8
=====================================
Write number: 227
Temperature: 0.950000
Total energy: -1341.233442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1341.233442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1341.233442 (E_RNA)
where:
Base-Base interactions energy: -916.310
where: short stacking energy: -398.798
Base-Backbone interact. energy: -3.499
local terms energy: -421.424907
where:
bonds (distance) C4'-P energy: -77.214
bonds (distance) P-C4' energy: -80.229
flat angles C4'-P-C4' energy: -78.680
flat angles P-C4'-P energy: -64.389
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: 3, replica: 6
=====================================
Write number: 227
Temperature: 1.000000
Total energy: -1267.168865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1267.168865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1267.168865 (E_RNA)
where:
Base-Base interactions energy: -905.567
where: short stacking energy: -368.713
Base-Backbone interact. energy: 0.923
local terms energy: -362.524618
where:
bonds (distance) C4'-P energy: -72.387
bonds (distance) P-C4' energy: -67.948
flat angles C4'-P-C4' energy: -72.425
flat angles P-C4'-P energy: -53.515
tors. eta vs tors. theta energy: -96.250
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: 7
=====================================
Write number: 227
Temperature: 1.050000
Total energy: -1232.301633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1232.301633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1232.301633 (E_RNA)
where:
Base-Base interactions energy: -842.002
where: short stacking energy: -364.229
Base-Backbone interact. energy: 0.119
local terms energy: -390.418824
where:
bonds (distance) C4'-P energy: -77.408
bonds (distance) P-C4' energy: -74.805
flat angles C4'-P-C4' energy: -76.675
flat angles P-C4'-P energy: -57.284
tors. eta vs tors. theta energy: -104.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 227
Temperature: 1.100000
Total energy: -1180.398868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1180.398868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1180.398868 (E_RNA)
where:
Base-Base interactions energy: -846.514
where: short stacking energy: -348.796
Base-Backbone interact. energy: 1.921
local terms energy: -335.805915
where:
bonds (distance) C4'-P energy: -53.039
bonds (distance) P-C4' energy: -71.591
flat angles C4'-P-C4' energy: -69.182
flat angles P-C4'-P energy: -49.839
tors. eta vs tors. theta energy: -92.156
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: 9
=====================================
Write number: 227
Temperature: 1.150000
Total energy: -1113.297039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1113.297039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1113.297039 (E_RNA)
where:
Base-Base interactions energy: -760.349
where: short stacking energy: -328.236
Base-Backbone interact. energy: -1.313
local terms energy: -351.635788
where:
bonds (distance) C4'-P energy: -59.392
bonds (distance) P-C4' energy: -79.835
flat angles C4'-P-C4' energy: -75.617
flat angles P-C4'-P energy: -41.300
tors. eta vs tors. theta energy: -95.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 227
Temperature: 1.200000
Total energy: -965.626776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -965.626776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -965.626776 (E_RNA)
where:
Base-Base interactions energy: -629.340
where: short stacking energy: -262.320
Base-Backbone interact. energy: -2.643
local terms energy: -333.643645
where:
bonds (distance) C4'-P energy: -68.734
bonds (distance) P-C4' energy: -69.563
flat angles C4'-P-C4' energy: -77.110
flat angles P-C4'-P energy: -57.342
tors. eta vs tors. theta energy: -60.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 227
Temperature: 1.250000
Total energy: -700.265441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -700.265441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -700.265441 (E_RNA)
where:
Base-Base interactions energy: -428.857
where: short stacking energy: -225.586
Base-Backbone interact. energy: -1.614
local terms energy: -269.794321
where:
bonds (distance) C4'-P energy: -56.097
bonds (distance) P-C4' energy: -60.708
flat angles C4'-P-C4' energy: -68.039
flat angles P-C4'-P energy: -38.539
tors. eta vs tors. theta energy: -46.412
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: 10
=====================================
Write number: 227
Temperature: 1.300000
Total energy: -633.197503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -633.197503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -633.197503 (E_RNA)
where:
Base-Base interactions energy: -362.675
where: short stacking energy: -166.841
Base-Backbone interact. energy: 0.323
local terms energy: -270.844909
where:
bonds (distance) C4'-P energy: -68.177
bonds (distance) P-C4' energy: -74.076
flat angles C4'-P-C4' energy: -64.586
flat angles P-C4'-P energy: -41.243
tors. eta vs tors. theta energy: -22.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 227
Temperature: 1.350000
Total energy: -413.343866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.343866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.343866 (E_RNA)
where:
Base-Base interactions energy: -197.977
where: short stacking energy: -130.954
Base-Backbone interact. energy: -1.240
local terms energy: -214.126310
where:
bonds (distance) C4'-P energy: -75.558
bonds (distance) P-C4' energy: -50.116
flat angles C4'-P-C4' energy: -55.277
flat angles P-C4'-P energy: -37.821
tors. eta vs tors. theta energy: 4.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 228
Temperature: 0.900000
Total energy: -1386.046241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1386.046241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1386.046241 (E_RNA)
where:
Base-Base interactions energy: -995.451
where: short stacking energy: -414.008
Base-Backbone interact. energy: -0.184
local terms energy: -390.411544
where:
bonds (distance) C4'-P energy: -72.564
bonds (distance) P-C4' energy: -71.813
flat angles C4'-P-C4' energy: -84.593
flat angles P-C4'-P energy: -47.232
tors. eta vs tors. theta energy: -114.209
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: 8
=====================================
Write number: 228
Temperature: 0.950000
Total energy: -1344.990946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1344.990946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1344.990946 (E_RNA)
where:
Base-Base interactions energy: -932.867
where: short stacking energy: -420.470
Base-Backbone interact. energy: -1.641
local terms energy: -410.483165
where:
bonds (distance) C4'-P energy: -69.268
bonds (distance) P-C4' energy: -79.852
flat angles C4'-P-C4' energy: -80.533
flat angles P-C4'-P energy: -54.283
tors. eta vs tors. theta energy: -126.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 228
Temperature: 1.000000
Total energy: -1256.890418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1256.890418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1256.890418 (E_RNA)
where:
Base-Base interactions energy: -852.251
where: short stacking energy: -385.749
Base-Backbone interact. energy: -2.382
local terms energy: -402.257880
where:
bonds (distance) C4'-P energy: -77.378
bonds (distance) P-C4' energy: -74.529
flat angles C4'-P-C4' energy: -85.645
flat angles P-C4'-P energy: -52.615
tors. eta vs tors. theta energy: -112.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 228
Temperature: 1.050000
Total energy: -1235.378297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1235.378297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1235.378297 (E_RNA)
where:
Base-Base interactions energy: -855.238
where: short stacking energy: -339.647
Base-Backbone interact. energy: -3.142
local terms energy: -377.420015
where:
bonds (distance) C4'-P energy: -75.584
bonds (distance) P-C4' energy: -68.323
flat angles C4'-P-C4' energy: -87.548
flat angles P-C4'-P energy: -60.888
tors. eta vs tors. theta energy: -85.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.422 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 228
Temperature: 1.100000
Total energy: -1196.843654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1196.843654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1196.843654 (E_RNA)
where:
Base-Base interactions energy: -838.978
where: short stacking energy: -354.582
Base-Backbone interact. energy: -0.365
local terms energy: -357.500356
where:
bonds (distance) C4'-P energy: -66.037
bonds (distance) P-C4' energy: -82.625
flat angles C4'-P-C4' energy: -65.227
flat angles P-C4'-P energy: -56.398
tors. eta vs tors. theta energy: -87.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 228
Temperature: 1.150000
Total energy: -1081.322806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1081.322806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1081.322806 (E_RNA)
where:
Base-Base interactions energy: -752.379
where: short stacking energy: -309.743
Base-Backbone interact. energy: -2.415
local terms energy: -326.528508
where:
bonds (distance) C4'-P energy: -62.907
bonds (distance) P-C4' energy: -65.782
flat angles C4'-P-C4' energy: -72.719
flat angles P-C4'-P energy: -45.324
tors. eta vs tors. theta energy: -79.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 228
Temperature: 1.200000
Total energy: -974.460874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -974.460874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -974.460874 (E_RNA)
where:
Base-Base interactions energy: -649.861
where: short stacking energy: -296.838
Base-Backbone interact. energy: -0.124
local terms energy: -324.475784
where:
bonds (distance) C4'-P energy: -58.910
bonds (distance) P-C4' energy: -63.689
flat angles C4'-P-C4' energy: -69.564
flat angles P-C4'-P energy: -48.897
tors. eta vs tors. theta energy: -83.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 228
Temperature: 1.250000
Total energy: -719.282821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -719.282821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -719.282821 (E_RNA)
where:
Base-Base interactions energy: -405.699
where: short stacking energy: -206.135
Base-Backbone interact. energy: -1.497
local terms energy: -312.087034
where:
bonds (distance) C4'-P energy: -76.401
bonds (distance) P-C4' energy: -75.250
flat angles C4'-P-C4' energy: -68.734
flat angles P-C4'-P energy: -43.436
tors. eta vs tors. theta energy: -48.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 228
Temperature: 1.300000
Total energy: -629.634498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -629.634498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -629.634498 (E_RNA)
where:
Base-Base interactions energy: -385.452
where: short stacking energy: -188.010
Base-Backbone interact. energy: -1.381
local terms energy: -242.801190
where:
bonds (distance) C4'-P energy: -62.402
bonds (distance) P-C4' energy: -57.130
flat angles C4'-P-C4' energy: -57.177
flat angles P-C4'-P energy: -41.798
tors. eta vs tors. theta energy: -24.294
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: 4
=====================================
Write number: 228
Temperature: 1.350000
Total energy: -403.706712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.706712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.706712 (E_RNA)
where:
Base-Base interactions energy: -209.902
where: short stacking energy: -137.663
Base-Backbone interact. energy: -1.003
local terms energy: -192.802280
where:
bonds (distance) C4'-P energy: -57.029
bonds (distance) P-C4' energy: -60.391
flat angles C4'-P-C4' energy: -51.823
flat angles P-C4'-P energy: -22.158
tors. eta vs tors. theta energy: -1.402
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: 1, replica: 5
=====================================
Write number: 229
Temperature: 0.900000
Total energy: -1398.454268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1398.454268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1398.454268 (E_RNA)
where:
Base-Base interactions energy: -985.193
where: short stacking energy: -415.392
Base-Backbone interact. energy: -4.015
local terms energy: -409.245535
where:
bonds (distance) C4'-P energy: -76.590
bonds (distance) P-C4' energy: -79.162
flat angles C4'-P-C4' energy: -83.251
flat angles P-C4'-P energy: -53.562
tors. eta vs tors. theta energy: -116.680
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: 8
=====================================
Write number: 229
Temperature: 0.950000
Total energy: -1322.722562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1322.722562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1322.722562 (E_RNA)
where:
Base-Base interactions energy: -924.589
where: short stacking energy: -399.353
Base-Backbone interact. energy: -2.238
local terms energy: -396.605993
where:
bonds (distance) C4'-P energy: -68.531
bonds (distance) P-C4' energy: -70.691
flat angles C4'-P-C4' energy: -77.540
flat angles P-C4'-P energy: -60.107
tors. eta vs tors. theta energy: -119.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.710 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 229
Temperature: 1.000000
Total energy: -1221.672759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1221.672759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1221.672759 (E_RNA)
where:
Base-Base interactions energy: -824.944
where: short stacking energy: -358.972
Base-Backbone interact. energy: -2.356
local terms energy: -394.372459
where:
bonds (distance) C4'-P energy: -70.913
bonds (distance) P-C4' energy: -80.845
flat angles C4'-P-C4' energy: -87.668
flat angles P-C4'-P energy: -46.397
tors. eta vs tors. theta energy: -108.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 229
Temperature: 1.050000
Total energy: -1220.502870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1220.502870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1220.502870 (E_RNA)
where:
Base-Base interactions energy: -849.324
where: short stacking energy: -332.128
Base-Backbone interact. energy: 2.084
local terms energy: -373.262439
where:
bonds (distance) C4'-P energy: -70.728
bonds (distance) P-C4' energy: -70.917
flat angles C4'-P-C4' energy: -85.351
flat angles P-C4'-P energy: -48.808
tors. eta vs tors. theta energy: -97.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 229
Temperature: 1.100000
Total energy: -1210.707971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1210.707971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1210.707971 (E_RNA)
where:
Base-Base interactions energy: -845.195
where: short stacking energy: -363.099
Base-Backbone interact. energy: -1.019
local terms energy: -364.493639
where:
bonds (distance) C4'-P energy: -65.369
bonds (distance) P-C4' energy: -61.048
flat angles C4'-P-C4' energy: -80.845
flat angles P-C4'-P energy: -54.860
tors. eta vs tors. theta energy: -102.372
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: 9
=====================================
Write number: 229
Temperature: 1.150000
Total energy: -1081.523257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1081.523257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1081.523257 (E_RNA)
where:
Base-Base interactions energy: -731.537
where: short stacking energy: -306.800
Base-Backbone interact. energy: 1.230
local terms energy: -351.216452
where:
bonds (distance) C4'-P energy: -73.694
bonds (distance) P-C4' energy: -59.906
flat angles C4'-P-C4' energy: -78.858
flat angles P-C4'-P energy: -55.996
tors. eta vs tors. theta energy: -82.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 229
Temperature: 1.200000
Total energy: -941.179719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -941.179719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -941.179719 (E_RNA)
where:
Base-Base interactions energy: -619.651
where: short stacking energy: -279.281
Base-Backbone interact. energy: -1.381
local terms energy: -320.148422
where:
bonds (distance) C4'-P energy: -61.753
bonds (distance) P-C4' energy: -60.928
flat angles C4'-P-C4' energy: -78.830
flat angles P-C4'-P energy: -48.185
tors. eta vs tors. theta energy: -70.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 229
Temperature: 1.250000
Total energy: -707.110027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -707.110027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -707.110027 (E_RNA)
where:
Base-Base interactions energy: -430.579
where: short stacking energy: -181.459
Base-Backbone interact. energy: -0.170
local terms energy: -276.360925
where:
bonds (distance) C4'-P energy: -68.830
bonds (distance) P-C4' energy: -62.477
flat angles C4'-P-C4' energy: -61.704
flat angles P-C4'-P energy: -46.673
tors. eta vs tors. theta energy: -36.678
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: 10
=====================================
Write number: 229
Temperature: 1.300000
Total energy: -572.064018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -572.064018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -572.064018 (E_RNA)
where:
Base-Base interactions energy: -345.130
where: short stacking energy: -157.526
Base-Backbone interact. energy: -0.651
local terms energy: -226.282590
where:
bonds (distance) C4'-P energy: -58.393
bonds (distance) P-C4' energy: -73.976
flat angles C4'-P-C4' energy: -50.558
flat angles P-C4'-P energy: -34.104
tors. eta vs tors. theta energy: -9.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 229
Temperature: 1.350000
Total energy: -396.092822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.092822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.092822 (E_RNA)
where:
Base-Base interactions energy: -184.271
where: short stacking energy: -119.925
Base-Backbone interact. energy: 4.946
local terms energy: -216.768045
where:
bonds (distance) C4'-P energy: -61.798
bonds (distance) P-C4' energy: -63.564
flat angles C4'-P-C4' energy: -63.808
flat angles P-C4'-P energy: -27.740
tors. eta vs tors. theta energy: 0.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 230
Temperature: 0.900000
Total energy: -1374.674200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1374.674200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1374.674200 (E_RNA)
where:
Base-Base interactions energy: -967.720
where: short stacking energy: -404.373
Base-Backbone interact. energy: -1.296
local terms energy: -405.657612
where:
bonds (distance) C4'-P energy: -81.882
bonds (distance) P-C4' energy: -73.063
flat angles C4'-P-C4' energy: -87.097
flat angles P-C4'-P energy: -49.884
tors. eta vs tors. theta energy: -113.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 230
Temperature: 0.950000
Total energy: -1333.209248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1333.209248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1333.209248 (E_RNA)
where:
Base-Base interactions energy: -921.282
where: short stacking energy: -393.410
Base-Backbone interact. energy: 0.232
local terms energy: -412.159138
where:
bonds (distance) C4'-P energy: -71.125
bonds (distance) P-C4' energy: -73.217
flat angles C4'-P-C4' energy: -87.608
flat angles P-C4'-P energy: -64.771
tors. eta vs tors. theta energy: -115.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 230
Temperature: 1.000000
Total energy: -1249.546052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1249.546052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1249.546052 (E_RNA)
where:
Base-Base interactions energy: -873.540
where: short stacking energy: -339.365
Base-Backbone interact. energy: -1.460
local terms energy: -374.546324
where:
bonds (distance) C4'-P energy: -72.345
bonds (distance) P-C4' energy: -76.153
flat angles C4'-P-C4' energy: -79.433
flat angles P-C4'-P energy: -57.977
tors. eta vs tors. theta energy: -88.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 230
Temperature: 1.050000
Total energy: -1195.026238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1195.026238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1195.026238 (E_RNA)
where:
Base-Base interactions energy: -817.648
where: short stacking energy: -367.792
Base-Backbone interact. energy: 0.371
local terms energy: -377.749172
where:
bonds (distance) C4'-P energy: -82.608
bonds (distance) P-C4' energy: -61.642
flat angles C4'-P-C4' energy: -79.593
flat angles P-C4'-P energy: -46.422
tors. eta vs tors. theta energy: -107.485
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: 5, replica: 3
=====================================
Write number: 230
Temperature: 1.100000
Total energy: -1176.763317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1176.763317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1176.763317 (E_RNA)
where:
Base-Base interactions energy: -779.317
where: short stacking energy: -333.701
Base-Backbone interact. energy: 1.247
local terms energy: -398.693739
where:
bonds (distance) C4'-P energy: -74.049
bonds (distance) P-C4' energy: -75.339
flat angles C4'-P-C4' energy: -85.762
flat angles P-C4'-P energy: -57.457
tors. eta vs tors. theta energy: -106.088
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: 230
Temperature: 1.150000
Total energy: -1072.045539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1072.045539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1072.045539 (E_RNA)
where:
Base-Base interactions energy: -733.310
where: short stacking energy: -319.327
Base-Backbone interact. energy: -0.726
local terms energy: -338.008602
where:
bonds (distance) C4'-P energy: -57.146
bonds (distance) P-C4' energy: -75.013
flat angles C4'-P-C4' energy: -68.846
flat angles P-C4'-P energy: -53.056
tors. eta vs tors. theta energy: -83.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 230
Temperature: 1.200000
Total energy: -947.730709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -947.730709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -947.730709 (E_RNA)
where:
Base-Base interactions energy: -620.930
where: short stacking energy: -276.269
Base-Backbone interact. energy: -4.197
local terms energy: -322.603293
where:
bonds (distance) C4'-P energy: -68.614
bonds (distance) P-C4' energy: -66.963
flat angles C4'-P-C4' energy: -74.347
flat angles P-C4'-P energy: -40.491
tors. eta vs tors. theta energy: -72.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 230
Temperature: 1.250000
Total energy: -721.351148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -721.351148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -721.351148 (E_RNA)
where:
Base-Base interactions energy: -453.810
where: short stacking energy: -224.869
Base-Backbone interact. energy: 1.838
local terms energy: -269.379624
where:
bonds (distance) C4'-P energy: -70.466
bonds (distance) P-C4' energy: -67.643
flat angles C4'-P-C4' energy: -50.379
flat angles P-C4'-P energy: -45.275
tors. eta vs tors. theta energy: -35.617
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: 9, replica: 10
=====================================
Write number: 230
Temperature: 1.300000
Total energy: -539.628998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.628998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.628998 (E_RNA)
where:
Base-Base interactions energy: -315.187
where: short stacking energy: -166.817
Base-Backbone interact. energy: 0.319
local terms energy: -224.760995
where:
bonds (distance) C4'-P energy: -49.568
bonds (distance) P-C4' energy: -57.099
flat angles C4'-P-C4' energy: -49.701
flat angles P-C4'-P energy: -48.510
tors. eta vs tors. theta energy: -19.883
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: 4
=====================================
Write number: 230
Temperature: 1.350000
Total energy: -391.063826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.063826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.063826 (E_RNA)
where:
Base-Base interactions energy: -181.545
where: short stacking energy: -120.715
Base-Backbone interact. energy: -2.416
local terms energy: -207.102959
where:
bonds (distance) C4'-P energy: -63.240
bonds (distance) P-C4' energy: -57.746
flat angles C4'-P-C4' energy: -55.768
flat angles P-C4'-P energy: -31.881
tors. eta vs tors. theta energy: 1.533
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: 5
=====================================
Write number: 231
Temperature: 0.900000
Total energy: -1374.335088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1374.335088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1374.335088 (E_RNA)
where:
Base-Base interactions energy: -958.913
where: short stacking energy: -395.095
Base-Backbone interact. energy: -2.070
local terms energy: -413.351828
where:
bonds (distance) C4'-P energy: -66.889
bonds (distance) P-C4' energy: -72.332
flat angles C4'-P-C4' energy: -92.043
flat angles P-C4'-P energy: -71.088
tors. eta vs tors. theta energy: -111.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 231
Temperature: 0.950000
Total energy: -1334.273164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1334.273164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1334.273164 (E_RNA)
where:
Base-Base interactions energy: -924.849
where: short stacking energy: -403.384
Base-Backbone interact. energy: -2.723
local terms energy: -406.701111
where:
bonds (distance) C4'-P energy: -73.590
bonds (distance) P-C4' energy: -69.984
flat angles C4'-P-C4' energy: -85.295
flat angles P-C4'-P energy: -54.527
tors. eta vs tors. theta energy: -123.305
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: 6
=====================================
Write number: 231
Temperature: 1.000000
Total energy: -1274.311480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1274.311480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1274.311480 (E_RNA)
where:
Base-Base interactions energy: -919.429
where: short stacking energy: -368.538
Base-Backbone interact. energy: -2.348
local terms energy: -352.534035
where:
bonds (distance) C4'-P energy: -69.099
bonds (distance) P-C4' energy: -70.341
flat angles C4'-P-C4' energy: -74.997
flat angles P-C4'-P energy: -54.810
tors. eta vs tors. theta energy: -83.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 231
Temperature: 1.050000
Total energy: -1174.626346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1174.626346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1174.626346 (E_RNA)
where:
Base-Base interactions energy: -805.111
where: short stacking energy: -352.263
Base-Backbone interact. energy: -1.637
local terms energy: -367.878214
where:
bonds (distance) C4'-P energy: -75.654
bonds (distance) P-C4' energy: -71.642
flat angles C4'-P-C4' energy: -71.237
flat angles P-C4'-P energy: -46.592
tors. eta vs tors. theta energy: -102.754
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: 5, replica: 3
=====================================
Write number: 231
Temperature: 1.100000
Total energy: -1168.920740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1168.920740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1168.920740 (E_RNA)
where:
Base-Base interactions energy: -811.918
where: short stacking energy: -345.767
Base-Backbone interact. energy: -1.071
local terms energy: -355.932013
where:
bonds (distance) C4'-P energy: -59.633
bonds (distance) P-C4' energy: -69.702
flat angles C4'-P-C4' energy: -74.446
flat angles P-C4'-P energy: -55.717
tors. eta vs tors. theta energy: -96.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 231
Temperature: 1.150000
Total energy: -1058.240632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1058.240632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1058.240632 (E_RNA)
where:
Base-Base interactions energy: -731.628
where: short stacking energy: -328.883
Base-Backbone interact. energy: 2.089
local terms energy: -328.701533
where:
bonds (distance) C4'-P energy: -64.461
bonds (distance) P-C4' energy: -64.154
flat angles C4'-P-C4' energy: -68.316
flat angles P-C4'-P energy: -47.070
tors. eta vs tors. theta energy: -84.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 231
Temperature: 1.200000
Total energy: -982.421079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -982.421079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -982.421079 (E_RNA)
where:
Base-Base interactions energy: -658.337
where: short stacking energy: -296.045
Base-Backbone interact. energy: -1.222
local terms energy: -322.862249
where:
bonds (distance) C4'-P energy: -57.200
bonds (distance) P-C4' energy: -61.468
flat angles C4'-P-C4' energy: -70.067
flat angles P-C4'-P energy: -58.808
tors. eta vs tors. theta energy: -75.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 231
Temperature: 1.250000
Total energy: -720.996902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -720.996902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -720.996902 (E_RNA)
where:
Base-Base interactions energy: -460.727
where: short stacking energy: -226.193
Base-Backbone interact. energy: -1.364
local terms energy: -258.905179
where:
bonds (distance) C4'-P energy: -48.799
bonds (distance) P-C4' energy: -65.181
flat angles C4'-P-C4' energy: -57.809
flat angles P-C4'-P energy: -41.283
tors. eta vs tors. theta energy: -45.832
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: 10
=====================================
Write number: 231
Temperature: 1.300000
Total energy: -524.208580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.208580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.208580 (E_RNA)
where:
Base-Base interactions energy: -271.107
where: short stacking energy: -148.577
Base-Backbone interact. energy: 1.362
local terms energy: -254.463265
where:
bonds (distance) C4'-P energy: -62.032
bonds (distance) P-C4' energy: -65.504
flat angles C4'-P-C4' energy: -66.444
flat angles P-C4'-P energy: -42.540
tors. eta vs tors. theta energy: -17.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 231
Temperature: 1.350000
Total energy: -392.039712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.039712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.039712 (E_RNA)
where:
Base-Base interactions energy: -176.910
where: short stacking energy: -116.963
Base-Backbone interact. energy: 7.426
local terms energy: -222.556535
where:
bonds (distance) C4'-P energy: -62.955
bonds (distance) P-C4' energy: -67.031
flat angles C4'-P-C4' energy: -65.555
flat angles P-C4'-P energy: -32.937
tors. eta vs tors. theta energy: 5.921
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: 1, replica: 5
=====================================
Write number: 232
Temperature: 0.900000
Total energy: -1388.550788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1388.550788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1388.550788 (E_RNA)
where:
Base-Base interactions energy: -988.458
where: short stacking energy: -406.834
Base-Backbone interact. energy: -1.551
local terms energy: -398.542106
where:
bonds (distance) C4'-P energy: -75.327
bonds (distance) P-C4' energy: -83.939
flat angles C4'-P-C4' energy: -85.020
flat angles P-C4'-P energy: -47.284
tors. eta vs tors. theta energy: -106.972
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: 2, replica: 8
=====================================
Write number: 232
Temperature: 0.950000
Total energy: -1319.377540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1319.377540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1319.377540 (E_RNA)
where:
Base-Base interactions energy: -911.498
where: short stacking energy: -380.826
Base-Backbone interact. energy: -2.043
local terms energy: -406.570558
where:
bonds (distance) C4'-P energy: -67.989
bonds (distance) P-C4' energy: -79.896
flat angles C4'-P-C4' energy: -83.901
flat angles P-C4'-P energy: -57.882
tors. eta vs tors. theta energy: -116.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.734 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 232
Temperature: 1.000000
Total energy: -1210.571376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1210.571376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1210.571376 (E_RNA)
where:
Base-Base interactions energy: -853.809
where: short stacking energy: -369.617
Base-Backbone interact. energy: -1.060
local terms energy: -355.703050
where:
bonds (distance) C4'-P energy: -57.715
bonds (distance) P-C4' energy: -78.172
flat angles C4'-P-C4' energy: -78.882
flat angles P-C4'-P energy: -43.261
tors. eta vs tors. theta energy: -97.674
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: 6
=====================================
Write number: 232
Temperature: 1.050000
Total energy: -1206.624023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1206.624023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1206.624023 (E_RNA)
where:
Base-Base interactions energy: -848.798
where: short stacking energy: -331.569
Base-Backbone interact. energy: -0.499
local terms energy: -357.551810
where:
bonds (distance) C4'-P energy: -76.325
bonds (distance) P-C4' energy: -73.647
flat angles C4'-P-C4' energy: -76.061
flat angles P-C4'-P energy: -48.293
tors. eta vs tors. theta energy: -83.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.224 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 232
Temperature: 1.100000
Total energy: -1206.023152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1206.023152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1206.023152 (E_RNA)
where:
Base-Base interactions energy: -839.562
where: short stacking energy: -346.159
Base-Backbone interact. energy: 2.934
local terms energy: -369.395224
where:
bonds (distance) C4'-P energy: -61.307
bonds (distance) P-C4' energy: -78.173
flat angles C4'-P-C4' energy: -77.150
flat angles P-C4'-P energy: -54.279
tors. eta vs tors. theta energy: -98.485
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: 9
=====================================
Write number: 232
Temperature: 1.150000
Total energy: -1087.456064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1087.456064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1087.456064 (E_RNA)
where:
Base-Base interactions energy: -741.814
where: short stacking energy: -323.174
Base-Backbone interact. energy: -1.451
local terms energy: -344.191200
where:
bonds (distance) C4'-P energy: -69.384
bonds (distance) P-C4' energy: -66.947
flat angles C4'-P-C4' energy: -80.119
flat angles P-C4'-P energy: -46.922
tors. eta vs tors. theta energy: -80.820
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: 7, replica: 2
=====================================
Write number: 232
Temperature: 1.200000
Total energy: -966.988133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -966.988133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -966.988133 (E_RNA)
where:
Base-Base interactions energy: -647.667
where: short stacking energy: -279.987
Base-Backbone interact. energy: 1.566
local terms energy: -320.887017
where:
bonds (distance) C4'-P energy: -60.700
bonds (distance) P-C4' energy: -72.027
flat angles C4'-P-C4' energy: -71.505
flat angles P-C4'-P energy: -52.713
tors. eta vs tors. theta energy: -63.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 232
Temperature: 1.250000
Total energy: -743.187166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -743.187166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -743.187166 (E_RNA)
where:
Base-Base interactions energy: -477.835
where: short stacking energy: -223.344
Base-Backbone interact. energy: -0.144
local terms energy: -265.208089
where:
bonds (distance) C4'-P energy: -69.275
bonds (distance) P-C4' energy: -62.970
flat angles C4'-P-C4' energy: -59.429
flat angles P-C4'-P energy: -37.177
tors. eta vs tors. theta energy: -36.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 232
Temperature: 1.300000
Total energy: -515.610858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.610858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.610858 (E_RNA)
where:
Base-Base interactions energy: -283.650
where: short stacking energy: -164.042
Base-Backbone interact. energy: 0.778
local terms energy: -232.739330
where:
bonds (distance) C4'-P energy: -50.299
bonds (distance) P-C4' energy: -67.648
flat angles C4'-P-C4' energy: -60.990
flat angles P-C4'-P energy: -33.532
tors. eta vs tors. theta energy: -20.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 232
Temperature: 1.350000
Total energy: -393.326452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.326452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.326452 (E_RNA)
where:
Base-Base interactions energy: -177.731
where: short stacking energy: -104.947
Base-Backbone interact. energy: -0.265
local terms energy: -215.445704
where:
bonds (distance) C4'-P energy: -61.268
bonds (distance) P-C4' energy: -70.982
flat angles C4'-P-C4' energy: -57.148
flat angles P-C4'-P energy: -29.074
tors. eta vs tors. theta energy: 3.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.116 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 233
Temperature: 0.900000
Total energy: -1393.961999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1393.961999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1393.961999 (E_RNA)
where:
Base-Base interactions energy: -971.946
where: short stacking energy: -404.071
Base-Backbone interact. energy: -1.512
local terms energy: -420.504438
where:
bonds (distance) C4'-P energy: -91.202
bonds (distance) P-C4' energy: -76.163
flat angles C4'-P-C4' energy: -78.305
flat angles P-C4'-P energy: -57.395
tors. eta vs tors. theta energy: -117.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 233
Temperature: 0.950000
Total energy: -1338.471265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1338.471265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1338.471265 (E_RNA)
where:
Base-Base interactions energy: -917.765
where: short stacking energy: -386.926
Base-Backbone interact. energy: -1.398
local terms energy: -419.307640
where:
bonds (distance) C4'-P energy: -70.953
bonds (distance) P-C4' energy: -81.373
flat angles C4'-P-C4' energy: -95.065
flat angles P-C4'-P energy: -49.737
tors. eta vs tors. theta energy: -122.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 233
Temperature: 1.000000
Total energy: -1233.491316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1233.491316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1233.491316 (E_RNA)
where:
Base-Base interactions energy: -838.766
where: short stacking energy: -371.317
Base-Backbone interact. energy: -1.211
local terms energy: -393.514560
where:
bonds (distance) C4'-P energy: -78.655
bonds (distance) P-C4' energy: -73.012
flat angles C4'-P-C4' energy: -77.333
flat angles P-C4'-P energy: -59.371
tors. eta vs tors. theta energy: -105.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 233
Temperature: 1.050000
Total energy: -1188.630316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1188.630316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1188.630316 (E_RNA)
where:
Base-Base interactions energy: -826.134
where: short stacking energy: -366.359
Base-Backbone interact. energy: 1.760
local terms energy: -364.256124
where:
bonds (distance) C4'-P energy: -74.666
bonds (distance) P-C4' energy: -53.001
flat angles C4'-P-C4' energy: -81.787
flat angles P-C4'-P energy: -60.573
tors. eta vs tors. theta energy: -94.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 233
Temperature: 1.100000
Total energy: -1202.988841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1202.988841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1202.988841 (E_RNA)
where:
Base-Base interactions energy: -850.536
where: short stacking energy: -318.280
Base-Backbone interact. energy: -1.454
local terms energy: -350.999230
where:
bonds (distance) C4'-P energy: -57.557
bonds (distance) P-C4' energy: -73.004
flat angles C4'-P-C4' energy: -87.882
flat angles P-C4'-P energy: -43.313
tors. eta vs tors. theta energy: -89.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 233
Temperature: 1.150000
Total energy: -1091.997695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1091.997695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1091.997695 (E_RNA)
where:
Base-Base interactions energy: -746.179
where: short stacking energy: -332.669
Base-Backbone interact. energy: -0.814
local terms energy: -345.005077
where:
bonds (distance) C4'-P energy: -73.713
bonds (distance) P-C4' energy: -37.614
flat angles C4'-P-C4' energy: -86.791
flat angles P-C4'-P energy: -53.481
tors. eta vs tors. theta energy: -93.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 233
Temperature: 1.200000
Total energy: -957.507931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -957.507931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -957.507931 (E_RNA)
where:
Base-Base interactions energy: -653.321
where: short stacking energy: -261.528
Base-Backbone interact. energy: 4.523
local terms energy: -308.709479
where:
bonds (distance) C4'-P energy: -71.746
bonds (distance) P-C4' energy: -58.134
flat angles C4'-P-C4' energy: -61.183
flat angles P-C4'-P energy: -45.375
tors. eta vs tors. theta energy: -72.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 233
Temperature: 1.250000
Total energy: -723.453195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -723.453195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -723.453195 (E_RNA)
where:
Base-Base interactions energy: -444.954
where: short stacking energy: -204.717
Base-Backbone interact. energy: 0.489
local terms energy: -278.988203
where:
bonds (distance) C4'-P energy: -57.440
bonds (distance) P-C4' energy: -73.386
flat angles C4'-P-C4' energy: -56.578
flat angles P-C4'-P energy: -37.132
tors. eta vs tors. theta energy: -54.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 233
Temperature: 1.300000
Total energy: -546.499198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.499198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.499198 (E_RNA)
where:
Base-Base interactions energy: -312.921
where: short stacking energy: -158.678
Base-Backbone interact. energy: -1.109
local terms energy: -232.469742
where:
bonds (distance) C4'-P energy: -56.410
bonds (distance) P-C4' energy: -52.003
flat angles C4'-P-C4' energy: -66.028
flat angles P-C4'-P energy: -47.257
tors. eta vs tors. theta energy: -10.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 233
Temperature: 1.350000
Total energy: -419.902714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.902714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.902714 (E_RNA)
where:
Base-Base interactions energy: -192.594
where: short stacking energy: -124.960
Base-Backbone interact. energy: 0.456
local terms energy: -227.764601
where:
bonds (distance) C4'-P energy: -56.935
bonds (distance) P-C4' energy: -65.850
flat angles C4'-P-C4' energy: -68.896
flat angles P-C4'-P energy: -36.951
tors. eta vs tors. theta energy: 0.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 234
Temperature: 0.900000
Total energy: -1396.895585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1396.895585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1396.895585 (E_RNA)
where:
Base-Base interactions energy: -968.725
where: short stacking energy: -407.633
Base-Backbone interact. energy: 2.489
local terms energy: -430.659444
where:
bonds (distance) C4'-P energy: -83.315
bonds (distance) P-C4' energy: -75.160
flat angles C4'-P-C4' energy: -88.330
flat angles P-C4'-P energy: -65.519
tors. eta vs tors. theta energy: -118.335
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: 8
=====================================
Write number: 234
Temperature: 0.950000
Total energy: -1340.094195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1340.094195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1340.094195 (E_RNA)
where:
Base-Base interactions energy: -914.073
where: short stacking energy: -390.311
Base-Backbone interact. energy: -1.933
local terms energy: -424.087953
where:
bonds (distance) C4'-P energy: -77.673
bonds (distance) P-C4' energy: -86.700
flat angles C4'-P-C4' energy: -83.056
flat angles P-C4'-P energy: -56.920
tors. eta vs tors. theta energy: -119.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 234
Temperature: 1.000000
Total energy: -1240.116579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1240.116579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1240.116579 (E_RNA)
where:
Base-Base interactions energy: -864.293
where: short stacking energy: -353.142
Base-Backbone interact. energy: -1.786
local terms energy: -374.037550
where:
bonds (distance) C4'-P energy: -79.747
bonds (distance) P-C4' energy: -68.814
flat angles C4'-P-C4' energy: -80.734
flat angles P-C4'-P energy: -53.558
tors. eta vs tors. theta energy: -91.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 234
Temperature: 1.050000
Total energy: -1194.050179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1194.050179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1194.050179 (E_RNA)
where:
Base-Base interactions energy: -807.077
where: short stacking energy: -381.691
Base-Backbone interact. energy: -1.517
local terms energy: -385.456135
where:
bonds (distance) C4'-P energy: -71.712
bonds (distance) P-C4' energy: -80.598
flat angles C4'-P-C4' energy: -76.385
flat angles P-C4'-P energy: -48.039
tors. eta vs tors. theta energy: -108.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 234
Temperature: 1.100000
Total energy: -1228.057515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1228.057515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1228.057515 (E_RNA)
where:
Base-Base interactions energy: -893.741
where: short stacking energy: -346.794
Base-Backbone interact. energy: -0.533
local terms energy: -333.783803
where:
bonds (distance) C4'-P energy: -65.048
bonds (distance) P-C4' energy: -72.989
flat angles C4'-P-C4' energy: -71.276
flat angles P-C4'-P energy: -39.801
tors. eta vs tors. theta energy: -84.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 234
Temperature: 1.150000
Total energy: -1090.014154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1090.014154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1090.014154 (E_RNA)
where:
Base-Base interactions energy: -736.136
where: short stacking energy: -318.293
Base-Backbone interact. energy: -1.740
local terms energy: -352.138680
where:
bonds (distance) C4'-P energy: -63.803
bonds (distance) P-C4' energy: -75.712
flat angles C4'-P-C4' energy: -81.373
flat angles P-C4'-P energy: -40.808
tors. eta vs tors. theta energy: -90.442
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: 7, replica: 2
=====================================
Write number: 234
Temperature: 1.200000
Total energy: -959.120717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -959.120717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -959.120717 (E_RNA)
where:
Base-Base interactions energy: -636.175
where: short stacking energy: -293.990
Base-Backbone interact. energy: 6.899
local terms energy: -329.844335
where:
bonds (distance) C4'-P energy: -61.050
bonds (distance) P-C4' energy: -66.948
flat angles C4'-P-C4' energy: -78.699
flat angles P-C4'-P energy: -41.175
tors. eta vs tors. theta energy: -81.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 234
Temperature: 1.250000
Total energy: -746.825206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -746.825206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -746.825206 (E_RNA)
where:
Base-Base interactions energy: -468.390
where: short stacking energy: -229.821
Base-Backbone interact. energy: -1.227
local terms energy: -278.126656
where:
bonds (distance) C4'-P energy: -46.928
bonds (distance) P-C4' energy: -71.054
flat angles C4'-P-C4' energy: -65.201
flat angles P-C4'-P energy: -49.283
tors. eta vs tors. theta energy: -45.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.919 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 234
Temperature: 1.300000
Total energy: -447.108300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.108300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.108300 (E_RNA)
where:
Base-Base interactions energy: -214.515
where: short stacking energy: -131.315
Base-Backbone interact. energy: -1.015
local terms energy: -231.577577
where:
bonds (distance) C4'-P energy: -65.431
bonds (distance) P-C4' energy: -69.900
flat angles C4'-P-C4' energy: -51.944
flat angles P-C4'-P energy: -28.264
tors. eta vs tors. theta energy: -16.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 234
Temperature: 1.350000
Total energy: -492.146956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.146956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.146956 (E_RNA)
where:
Base-Base interactions energy: -256.421
where: short stacking energy: -134.630
Base-Backbone interact. energy: -1.690
local terms energy: -234.035932
where:
bonds (distance) C4'-P energy: -72.548
bonds (distance) P-C4' energy: -58.405
flat angles C4'-P-C4' energy: -60.464
flat angles P-C4'-P energy: -37.415
tors. eta vs tors. theta energy: -5.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 235
Temperature: 0.900000
Total energy: -1382.617496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1382.617496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1382.617496 (E_RNA)
where:
Base-Base interactions energy: -956.205
where: short stacking energy: -390.824
Base-Backbone interact. energy: -2.667
local terms energy: -423.745438
where:
bonds (distance) C4'-P energy: -77.022
bonds (distance) P-C4' energy: -84.946
flat angles C4'-P-C4' energy: -81.354
flat angles P-C4'-P energy: -60.816
tors. eta vs tors. theta energy: -119.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 235
Temperature: 0.950000
Total energy: -1342.525123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1342.525123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1342.525123 (E_RNA)
where:
Base-Base interactions energy: -926.169
where: short stacking energy: -399.081
Base-Backbone interact. energy: -0.752
local terms energy: -415.603966
where:
bonds (distance) C4'-P energy: -79.937
bonds (distance) P-C4' energy: -71.664
flat angles C4'-P-C4' energy: -84.354
flat angles P-C4'-P energy: -54.547
tors. eta vs tors. theta energy: -125.102
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: 235
Temperature: 1.000000
Total energy: -1250.995451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1250.995451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1250.995451 (E_RNA)
where:
Base-Base interactions energy: -884.146
where: short stacking energy: -361.009
Base-Backbone interact. energy: -1.166
local terms energy: -365.684057
where:
bonds (distance) C4'-P energy: -65.193
bonds (distance) P-C4' energy: -72.018
flat angles C4'-P-C4' energy: -67.306
flat angles P-C4'-P energy: -53.946
tors. eta vs tors. theta energy: -107.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.001 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 235
Temperature: 1.050000
Total energy: -1200.764123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1200.764123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1200.764123 (E_RNA)
where:
Base-Base interactions energy: -815.037
where: short stacking energy: -374.813
Base-Backbone interact. energy: -0.273
local terms energy: -385.454709
where:
bonds (distance) C4'-P energy: -60.886
bonds (distance) P-C4' energy: -79.547
flat angles C4'-P-C4' energy: -78.889
flat angles P-C4'-P energy: -56.157
tors. eta vs tors. theta energy: -109.976
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: 5, replica: 6
=====================================
Write number: 235
Temperature: 1.100000
Total energy: -1168.623370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1168.623370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1168.623370 (E_RNA)
where:
Base-Base interactions energy: -828.748
where: short stacking energy: -318.214
Base-Backbone interact. energy: -2.881
local terms energy: -336.993553
where:
bonds (distance) C4'-P energy: -70.297
bonds (distance) P-C4' energy: -65.204
flat angles C4'-P-C4' energy: -69.742
flat angles P-C4'-P energy: -51.102
tors. eta vs tors. theta energy: -80.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 235
Temperature: 1.150000
Total energy: -1053.720458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1053.720458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1053.720458 (E_RNA)
where:
Base-Base interactions energy: -722.094
where: short stacking energy: -295.115
Base-Backbone interact. energy: -1.339
local terms energy: -330.287010
where:
bonds (distance) C4'-P energy: -78.460
bonds (distance) P-C4' energy: -61.442
flat angles C4'-P-C4' energy: -74.963
flat angles P-C4'-P energy: -48.018
tors. eta vs tors. theta energy: -67.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 235
Temperature: 1.200000
Total energy: -944.935255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -944.935255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -944.935255 (E_RNA)
where:
Base-Base interactions energy: -623.446
where: short stacking energy: -284.465
Base-Backbone interact. energy: -1.387
local terms energy: -320.101492
where:
bonds (distance) C4'-P energy: -63.515
bonds (distance) P-C4' energy: -75.279
flat angles C4'-P-C4' energy: -76.911
flat angles P-C4'-P energy: -31.745
tors. eta vs tors. theta energy: -72.651
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: 1
=====================================
Write number: 235
Temperature: 1.250000
Total energy: -790.866975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -790.866975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -790.866975 (E_RNA)
where:
Base-Base interactions energy: -491.052
where: short stacking energy: -229.923
Base-Backbone interact. energy: -2.493
local terms energy: -297.322686
where:
bonds (distance) C4'-P energy: -61.746
bonds (distance) P-C4' energy: -64.779
flat angles C4'-P-C4' energy: -55.297
flat angles P-C4'-P energy: -61.716
tors. eta vs tors. theta energy: -53.784
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: 4
=====================================
Write number: 235
Temperature: 1.300000
Total energy: -454.244055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.244055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.244055 (E_RNA)
where:
Base-Base interactions energy: -238.601
where: short stacking energy: -160.616
Base-Backbone interact. energy: 0.423
local terms energy: -216.065794
where:
bonds (distance) C4'-P energy: -52.034
bonds (distance) P-C4' energy: -50.682
flat angles C4'-P-C4' energy: -72.941
flat angles P-C4'-P energy: -30.356
tors. eta vs tors. theta energy: -10.053
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: 10
=====================================
Write number: 235
Temperature: 1.350000
Total energy: -499.927650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.927650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.927650 (E_RNA)
where:
Base-Base interactions energy: -245.396
where: short stacking energy: -136.698
Base-Backbone interact. energy: 1.374
local terms energy: -255.906556
where:
bonds (distance) C4'-P energy: -64.459
bonds (distance) P-C4' energy: -73.199
flat angles C4'-P-C4' energy: -60.082
flat angles P-C4'-P energy: -43.411
tors. eta vs tors. theta energy: -14.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 236
Temperature: 0.900000
Total energy: -1365.125678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1365.125678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1365.125678 (E_RNA)
where:
Base-Base interactions energy: -931.826
where: short stacking energy: -398.744
Base-Backbone interact. energy: -2.253
local terms energy: -431.046679
where:
bonds (distance) C4'-P energy: -82.780
bonds (distance) P-C4' energy: -77.707
flat angles C4'-P-C4' energy: -90.834
flat angles P-C4'-P energy: -62.055
tors. eta vs tors. theta energy: -117.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 236
Temperature: 0.950000
Total energy: -1369.291797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1369.291797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1369.291797 (E_RNA)
where:
Base-Base interactions energy: -975.179
where: short stacking energy: -420.659
Base-Backbone interact. energy: -1.367
local terms energy: -392.745560
where:
bonds (distance) C4'-P energy: -57.344
bonds (distance) P-C4' energy: -80.687
flat angles C4'-P-C4' energy: -82.047
flat angles P-C4'-P energy: -54.059
tors. eta vs tors. theta energy: -118.608
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: 236
Temperature: 1.000000
Total energy: -1273.505916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1273.505916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1273.505916 (E_RNA)
where:
Base-Base interactions energy: -888.694
where: short stacking energy: -377.292
Base-Backbone interact. energy: -1.921
local terms energy: -382.890202
where:
bonds (distance) C4'-P energy: -70.923
bonds (distance) P-C4' energy: -79.472
flat angles C4'-P-C4' energy: -73.168
flat angles P-C4'-P energy: -59.757
tors. eta vs tors. theta energy: -99.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 236
Temperature: 1.050000
Total energy: -1199.326457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1199.326457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1199.326457 (E_RNA)
where:
Base-Base interactions energy: -814.857
where: short stacking energy: -379.163
Base-Backbone interact. energy: -1.399
local terms energy: -383.070709
where:
bonds (distance) C4'-P energy: -64.879
bonds (distance) P-C4' energy: -67.492
flat angles C4'-P-C4' energy: -89.982
flat angles P-C4'-P energy: -52.940
tors. eta vs tors. theta energy: -107.777
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: 5, replica: 6
=====================================
Write number: 236
Temperature: 1.100000
Total energy: -1210.270884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1210.270884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1210.270884 (E_RNA)
where:
Base-Base interactions energy: -848.791
where: short stacking energy: -343.277
Base-Backbone interact. energy: -1.508
local terms energy: -360.129407
where:
bonds (distance) C4'-P energy: -76.932
bonds (distance) P-C4' energy: -73.327
flat angles C4'-P-C4' energy: -78.186
flat angles P-C4'-P energy: -53.543
tors. eta vs tors. theta energy: -78.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.158 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 236
Temperature: 1.150000
Total energy: -1047.560978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1047.560978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1047.560978 (E_RNA)
where:
Base-Base interactions energy: -736.630
where: short stacking energy: -284.399
Base-Backbone interact. energy: -2.666
local terms energy: -308.264618
where:
bonds (distance) C4'-P energy: -57.814
bonds (distance) P-C4' energy: -62.415
flat angles C4'-P-C4' energy: -75.825
flat angles P-C4'-P energy: -42.625
tors. eta vs tors. theta energy: -69.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 236
Temperature: 1.200000
Total energy: -953.463686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -953.463686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -953.463686 (E_RNA)
where:
Base-Base interactions energy: -616.802
where: short stacking energy: -278.162
Base-Backbone interact. energy: -3.133
local terms energy: -333.529372
where:
bonds (distance) C4'-P energy: -75.302
bonds (distance) P-C4' energy: -72.633
flat angles C4'-P-C4' energy: -76.326
flat angles P-C4'-P energy: -46.614
tors. eta vs tors. theta energy: -62.655
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: 8, replica: 1
=====================================
Write number: 236
Temperature: 1.250000
Total energy: -792.240203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -792.240203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -792.240203 (E_RNA)
where:
Base-Base interactions energy: -509.758
where: short stacking energy: -243.468
Base-Backbone interact. energy: 0.629
local terms energy: -283.111190
where:
bonds (distance) C4'-P energy: -62.147
bonds (distance) P-C4' energy: -60.485
flat angles C4'-P-C4' energy: -66.309
flat angles P-C4'-P energy: -42.184
tors. eta vs tors. theta energy: -51.987
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: 10
=====================================
Write number: 236
Temperature: 1.300000
Total energy: -498.877624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.877624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.877624 (E_RNA)
where:
Base-Base interactions energy: -263.265
where: short stacking energy: -160.312
Base-Backbone interact. energy: -1.035
local terms energy: -234.810994
where:
bonds (distance) C4'-P energy: -49.927
bonds (distance) P-C4' energy: -76.361
flat angles C4'-P-C4' energy: -63.609
flat angles P-C4'-P energy: -33.341
tors. eta vs tors. theta energy: -11.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.233 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 236
Temperature: 1.350000
Total energy: -404.858446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.858446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.858446 (E_RNA)
where:
Base-Base interactions energy: -191.247
where: short stacking energy: -120.651
Base-Backbone interact. energy: -0.048
local terms energy: -213.563616
where:
bonds (distance) C4'-P energy: -57.403
bonds (distance) P-C4' energy: -70.870
flat angles C4'-P-C4' energy: -54.888
flat angles P-C4'-P energy: -31.998
tors. eta vs tors. theta energy: 1.597
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: 1, replica: 8
=====================================
Write number: 237
Temperature: 0.900000
Total energy: -1356.197180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1356.197180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1356.197180 (E_RNA)
where:
Base-Base interactions energy: -925.727
where: short stacking energy: -408.440
Base-Backbone interact. energy: -1.598
local terms energy: -428.873117
where:
bonds (distance) C4'-P energy: -81.062
bonds (distance) P-C4' energy: -86.895
flat angles C4'-P-C4' energy: -86.651
flat angles P-C4'-P energy: -55.136
tors. eta vs tors. theta energy: -119.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 237
Temperature: 0.950000
Total energy: -1361.731804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1361.731804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1361.731804 (E_RNA)
where:
Base-Base interactions energy: -971.806
where: short stacking energy: -396.968
Base-Backbone interact. energy: -0.783
local terms energy: -389.142104
where:
bonds (distance) C4'-P energy: -74.873
bonds (distance) P-C4' energy: -68.769
flat angles C4'-P-C4' energy: -79.601
flat angles P-C4'-P energy: -50.751
tors. eta vs tors. theta energy: -115.147
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: 3, replica: 3
=====================================
Write number: 237
Temperature: 1.000000
Total energy: -1282.267723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1282.267723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1282.267723 (E_RNA)
where:
Base-Base interactions energy: -907.637
where: short stacking energy: -367.490
Base-Backbone interact. energy: -2.130
local terms energy: -372.500365
where:
bonds (distance) C4'-P energy: -63.578
bonds (distance) P-C4' energy: -69.984
flat angles C4'-P-C4' energy: -76.498
flat angles P-C4'-P energy: -60.795
tors. eta vs tors. theta energy: -101.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 237
Temperature: 1.050000
Total energy: -1219.593276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1219.593276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1219.593276 (E_RNA)
where:
Base-Base interactions energy: -864.309
where: short stacking energy: -344.858
Base-Backbone interact. energy: -3.278
local terms energy: -352.006716
where:
bonds (distance) C4'-P energy: -70.180
bonds (distance) P-C4' energy: -63.478
flat angles C4'-P-C4' energy: -80.510
flat angles P-C4'-P energy: -57.149
tors. eta vs tors. theta energy: -80.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 237
Temperature: 1.100000
Total energy: -1194.838101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1194.838101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1194.838101 (E_RNA)
where:
Base-Base interactions energy: -823.595
where: short stacking energy: -371.235
Base-Backbone interact. energy: -1.257
local terms energy: -369.985318
where:
bonds (distance) C4'-P energy: -63.058
bonds (distance) P-C4' energy: -62.258
flat angles C4'-P-C4' energy: -87.291
flat angles P-C4'-P energy: -52.290
tors. eta vs tors. theta energy: -105.090
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: 9
=====================================
Write number: 237
Temperature: 1.150000
Total energy: -1068.650760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1068.650760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1068.650760 (E_RNA)
where:
Base-Base interactions energy: -722.531
where: short stacking energy: -309.968
Base-Backbone interact. energy: -1.168
local terms energy: -344.951287
where:
bonds (distance) C4'-P energy: -76.763
bonds (distance) P-C4' energy: -69.172
flat angles C4'-P-C4' energy: -71.703
flat angles P-C4'-P energy: -51.708
tors. eta vs tors. theta energy: -75.606
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: 7, replica: 2
=====================================
Write number: 237
Temperature: 1.200000
Total energy: -950.592235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -950.592235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -950.592235 (E_RNA)
where:
Base-Base interactions energy: -632.533
where: short stacking energy: -278.499
Base-Backbone interact. energy: 1.824
local terms energy: -319.883983
where:
bonds (distance) C4'-P energy: -64.341
bonds (distance) P-C4' energy: -67.999
flat angles C4'-P-C4' energy: -74.183
flat angles P-C4'-P energy: -42.384
tors. eta vs tors. theta energy: -70.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 237
Temperature: 1.250000
Total energy: -839.511081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -839.511081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -839.511081 (E_RNA)
where:
Base-Base interactions energy: -528.931
where: short stacking energy: -230.049
Base-Backbone interact. energy: -1.315
local terms energy: -309.265301
where:
bonds (distance) C4'-P energy: -65.187
bonds (distance) P-C4' energy: -77.920
flat angles C4'-P-C4' energy: -76.012
flat angles P-C4'-P energy: -38.656
tors. eta vs tors. theta energy: -51.491
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: 10
=====================================
Write number: 237
Temperature: 1.300000
Total energy: -541.290653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.290653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.290653 (E_RNA)
where:
Base-Base interactions energy: -319.488
where: short stacking energy: -170.268
Base-Backbone interact. energy: 0.611
local terms energy: -222.413075
where:
bonds (distance) C4'-P energy: -63.277
bonds (distance) P-C4' energy: -53.385
flat angles C4'-P-C4' energy: -50.157
flat angles P-C4'-P energy: -34.251
tors. eta vs tors. theta energy: -21.343
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: 4
=====================================
Write number: 237
Temperature: 1.350000
Total energy: -404.872962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.872962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.872962 (E_RNA)
where:
Base-Base interactions energy: -190.211
where: short stacking energy: -122.727
Base-Backbone interact. energy: 3.710
local terms energy: -218.371794
where:
bonds (distance) C4'-P energy: -59.591
bonds (distance) P-C4' energy: -67.994
flat angles C4'-P-C4' energy: -52.847
flat angles P-C4'-P energy: -46.731
tors. eta vs tors. theta energy: 8.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 238
Temperature: 0.900000
Total energy: -1352.547364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1352.547364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1352.547364 (E_RNA)
where:
Base-Base interactions energy: -927.604
where: short stacking energy: -424.607
Base-Backbone interact. energy: 0.617
local terms energy: -425.560312
where:
bonds (distance) C4'-P energy: -75.394
bonds (distance) P-C4' energy: -65.982
flat angles C4'-P-C4' energy: -93.049
flat angles P-C4'-P energy: -69.094
tors. eta vs tors. theta energy: -122.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 238
Temperature: 0.950000
Total energy: -1366.241720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1366.241720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1366.241720 (E_RNA)
where:
Base-Base interactions energy: -945.354
where: short stacking energy: -394.886
Base-Backbone interact. energy: -0.257
local terms energy: -420.630208
where:
bonds (distance) C4'-P energy: -80.223
bonds (distance) P-C4' energy: -74.620
flat angles C4'-P-C4' energy: -83.237
flat angles P-C4'-P energy: -62.568
tors. eta vs tors. theta energy: -119.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 238
Temperature: 1.000000
Total energy: -1270.013863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1270.013863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1270.013863 (E_RNA)
where:
Base-Base interactions energy: -892.507
where: short stacking energy: -368.685
Base-Backbone interact. energy: -2.006
local terms energy: -375.500997
where:
bonds (distance) C4'-P energy: -66.304
bonds (distance) P-C4' energy: -75.624
flat angles C4'-P-C4' energy: -87.555
flat angles P-C4'-P energy: -45.227
tors. eta vs tors. theta energy: -100.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 238
Temperature: 1.050000
Total energy: -1255.408501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1255.408501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1255.408501 (E_RNA)
where:
Base-Base interactions energy: -897.751
where: short stacking energy: -357.179
Base-Backbone interact. energy: -1.315
local terms energy: -356.342832
where:
bonds (distance) C4'-P energy: -67.736
bonds (distance) P-C4' energy: -67.764
flat angles C4'-P-C4' energy: -77.561
flat angles P-C4'-P energy: -50.989
tors. eta vs tors. theta energy: -92.292
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: 7
=====================================
Write number: 238
Temperature: 1.100000
Total energy: -1181.153922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1181.153922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1181.153922 (E_RNA)
where:
Base-Base interactions energy: -792.454
where: short stacking energy: -345.905
Base-Backbone interact. energy: -1.124
local terms energy: -387.857757
where:
bonds (distance) C4'-P energy: -73.483
bonds (distance) P-C4' energy: -73.750
flat angles C4'-P-C4' energy: -75.629
flat angles P-C4'-P energy: -59.002
tors. eta vs tors. theta energy: -105.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.282 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 238
Temperature: 1.150000
Total energy: -1069.194801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1069.194801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1069.194801 (E_RNA)
where:
Base-Base interactions energy: -734.870
where: short stacking energy: -294.959
Base-Backbone interact. energy: -2.726
local terms energy: -331.598910
where:
bonds (distance) C4'-P energy: -56.818
bonds (distance) P-C4' energy: -76.530
flat angles C4'-P-C4' energy: -66.909
flat angles P-C4'-P energy: -52.753
tors. eta vs tors. theta energy: -78.588
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: 2
=====================================
Write number: 238
Temperature: 1.200000
Total energy: -909.031435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -909.031435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -909.031435 (E_RNA)
where:
Base-Base interactions energy: -611.018
where: short stacking energy: -250.966
Base-Backbone interact. energy: -1.529
local terms energy: -296.484304
where:
bonds (distance) C4'-P energy: -56.367
bonds (distance) P-C4' energy: -71.672
flat angles C4'-P-C4' energy: -64.125
flat angles P-C4'-P energy: -40.329
tors. eta vs tors. theta energy: -63.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 238
Temperature: 1.250000
Total energy: -847.123950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -847.123950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -847.123950 (E_RNA)
where:
Base-Base interactions energy: -538.290
where: short stacking energy: -240.186
Base-Backbone interact. energy: -0.572
local terms energy: -308.262298
where:
bonds (distance) C4'-P energy: -62.445
bonds (distance) P-C4' energy: -77.913
flat angles C4'-P-C4' energy: -65.926
flat angles P-C4'-P energy: -44.322
tors. eta vs tors. theta energy: -57.656
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: 10
=====================================
Write number: 238
Temperature: 1.300000
Total energy: -555.245861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.245861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.245861 (E_RNA)
where:
Base-Base interactions energy: -310.827
where: short stacking energy: -179.385
Base-Backbone interact. energy: 5.390
local terms energy: -249.808672
where:
bonds (distance) C4'-P energy: -59.078
bonds (distance) P-C4' energy: -61.095
flat angles C4'-P-C4' energy: -76.155
flat angles P-C4'-P energy: -36.947
tors. eta vs tors. theta energy: -16.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 238
Temperature: 1.350000
Total energy: -457.281833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.281833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.281833 (E_RNA)
where:
Base-Base interactions energy: -263.171
where: short stacking energy: -158.763
Base-Backbone interact. energy: 2.111
local terms energy: -196.221497
where:
bonds (distance) C4'-P energy: -50.729
bonds (distance) P-C4' energy: -51.911
flat angles C4'-P-C4' energy: -61.958
flat angles P-C4'-P energy: -26.531
tors. eta vs tors. theta energy: -5.092
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: 8
=====================================
Write number: 239
Temperature: 0.900000
Total energy: -1369.026728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1369.026728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1369.026728 (E_RNA)
where:
Base-Base interactions energy: -964.806
where: short stacking energy: -418.690
Base-Backbone interact. energy: 5.003
local terms energy: -409.222936
where:
bonds (distance) C4'-P energy: -78.032
bonds (distance) P-C4' energy: -79.483
flat angles C4'-P-C4' energy: -75.994
flat angles P-C4'-P energy: -54.936
tors. eta vs tors. theta energy: -120.778
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: 2, replica: 5
=====================================
Write number: 239
Temperature: 0.950000
Total energy: -1367.636806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1367.636806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1367.636806 (E_RNA)
where:
Base-Base interactions energy: -953.202
where: short stacking energy: -405.517
Base-Backbone interact. energy: 0.347
local terms energy: -414.781645
where:
bonds (distance) C4'-P energy: -77.890
bonds (distance) P-C4' energy: -72.513
flat angles C4'-P-C4' energy: -90.108
flat angles P-C4'-P energy: -52.050
tors. eta vs tors. theta energy: -122.221
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: 6
=====================================
Write number: 239
Temperature: 1.000000
Total energy: -1264.067466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1264.067466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1264.067466 (E_RNA)
where:
Base-Base interactions energy: -895.383
where: short stacking energy: -376.226
Base-Backbone interact. energy: -1.758
local terms energy: -366.926634
where:
bonds (distance) C4'-P energy: -72.483
bonds (distance) P-C4' energy: -77.031
flat angles C4'-P-C4' energy: -71.441
flat angles P-C4'-P energy: -50.824
tors. eta vs tors. theta energy: -95.148
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: 239
Temperature: 1.050000
Total energy: -1231.588298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1231.588298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1231.588298 (E_RNA)
where:
Base-Base interactions energy: -886.971
where: short stacking energy: -362.364
Base-Backbone interact. energy: -2.631
local terms energy: -341.986130
where:
bonds (distance) C4'-P energy: -53.410
bonds (distance) P-C4' energy: -59.631
flat angles C4'-P-C4' energy: -71.508
flat angles P-C4'-P energy: -61.035
tors. eta vs tors. theta energy: -96.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 239
Temperature: 1.100000
Total energy: -1158.000499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1158.000499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1158.000499 (E_RNA)
where:
Base-Base interactions energy: -789.931
where: short stacking energy: -333.415
Base-Backbone interact. energy: -1.382
local terms energy: -366.687010
where:
bonds (distance) C4'-P energy: -54.971
bonds (distance) P-C4' energy: -81.517
flat angles C4'-P-C4' energy: -82.731
flat angles P-C4'-P energy: -51.651
tors. eta vs tors. theta energy: -95.817
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: 9
=====================================
Write number: 239
Temperature: 1.150000
Total energy: -1056.032796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1056.032796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1056.032796 (E_RNA)
where:
Base-Base interactions energy: -738.428
where: short stacking energy: -300.456
Base-Backbone interact. energy: 2.783
local terms energy: -320.387797
where:
bonds (distance) C4'-P energy: -60.504
bonds (distance) P-C4' energy: -69.062
flat angles C4'-P-C4' energy: -61.848
flat angles P-C4'-P energy: -54.705
tors. eta vs tors. theta energy: -74.269
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: 7, replica: 2
=====================================
Write number: 239
Temperature: 1.200000
Total energy: -936.994333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -936.994333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -936.994333 (E_RNA)
where:
Base-Base interactions energy: -639.780
where: short stacking energy: -289.022
Base-Backbone interact. energy: -2.629
local terms energy: -294.585902
where:
bonds (distance) C4'-P energy: -58.211
bonds (distance) P-C4' energy: -53.231
flat angles C4'-P-C4' energy: -70.851
flat angles P-C4'-P energy: -39.834
tors. eta vs tors. theta energy: -72.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 239
Temperature: 1.250000
Total energy: -859.414988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -859.414988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -859.414988 (E_RNA)
where:
Base-Base interactions energy: -570.343
where: short stacking energy: -255.593
Base-Backbone interact. energy: -1.343
local terms energy: -287.729518
where:
bonds (distance) C4'-P energy: -62.378
bonds (distance) P-C4' energy: -69.942
flat angles C4'-P-C4' energy: -51.769
flat angles P-C4'-P energy: -38.800
tors. eta vs tors. theta energy: -64.841
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: 10
=====================================
Write number: 239
Temperature: 1.300000
Total energy: -578.538262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -578.538262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -578.538262 (E_RNA)
where:
Base-Base interactions energy: -328.047
where: short stacking energy: -151.973
Base-Backbone interact. energy: -1.151
local terms energy: -249.340045
where:
bonds (distance) C4'-P energy: -71.627
bonds (distance) P-C4' energy: -65.535
flat angles C4'-P-C4' energy: -58.222
flat angles P-C4'-P energy: -37.483
tors. eta vs tors. theta energy: -16.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 239
Temperature: 1.350000
Total energy: -486.959559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.959559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.959559 (E_RNA)
where:
Base-Base interactions energy: -281.775
where: short stacking energy: -154.786
Base-Backbone interact. energy: -1.923
local terms energy: -203.261656
where:
bonds (distance) C4'-P energy: -37.753
bonds (distance) P-C4' energy: -57.497
flat angles C4'-P-C4' energy: -66.001
flat angles P-C4'-P energy: -25.960
tors. eta vs tors. theta energy: -16.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 240
Temperature: 0.900000
Total energy: -1395.797186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1395.797186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1395.797186 (E_RNA)
where:
Base-Base interactions energy: -953.524
where: short stacking energy: -408.882
Base-Backbone interact. energy: -0.735
local terms energy: -441.538264
where:
bonds (distance) C4'-P energy: -85.077
bonds (distance) P-C4' energy: -81.850
flat angles C4'-P-C4' energy: -91.363
flat angles P-C4'-P energy: -65.006
tors. eta vs tors. theta energy: -118.243
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: 2, replica: 8
=====================================
Write number: 240
Temperature: 0.950000
Total energy: -1346.946669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1346.946669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1346.946669 (E_RNA)
where:
Base-Base interactions energy: -933.173
where: short stacking energy: -393.018
Base-Backbone interact. energy: -2.902
local terms energy: -410.871616
where:
bonds (distance) C4'-P energy: -74.762
bonds (distance) P-C4' energy: -72.551
flat angles C4'-P-C4' energy: -80.996
flat angles P-C4'-P energy: -62.025
tors. eta vs tors. theta energy: -120.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 240
Temperature: 1.000000
Total energy: -1272.860876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1272.860876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1272.860876 (E_RNA)
where:
Base-Base interactions energy: -914.333
where: short stacking energy: -364.588
Base-Backbone interact. energy: -3.247
local terms energy: -355.280384
where:
bonds (distance) C4'-P energy: -63.614
bonds (distance) P-C4' energy: -74.216
flat angles C4'-P-C4' energy: -77.720
flat angles P-C4'-P energy: -44.443
tors. eta vs tors. theta energy: -95.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 240
Temperature: 1.050000
Total energy: -1246.278793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1246.278793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1246.278793 (E_RNA)
where:
Base-Base interactions energy: -876.269
where: short stacking energy: -366.712
Base-Backbone interact. energy: -3.078
local terms energy: -366.932566
where:
bonds (distance) C4'-P energy: -68.714
bonds (distance) P-C4' energy: -64.736
flat angles C4'-P-C4' energy: -84.572
flat angles P-C4'-P energy: -50.817
tors. eta vs tors. theta energy: -98.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 240
Temperature: 1.100000
Total energy: -1173.011411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1173.011411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1173.011411 (E_RNA)
where:
Base-Base interactions energy: -801.686
where: short stacking energy: -360.168
Base-Backbone interact. energy: -1.136
local terms energy: -370.189123
where:
bonds (distance) C4'-P energy: -71.401
bonds (distance) P-C4' energy: -75.291
flat angles C4'-P-C4' energy: -72.736
flat angles P-C4'-P energy: -47.597
tors. eta vs tors. theta energy: -103.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 240
Temperature: 1.150000
Total energy: -1088.397460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1088.397460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1088.397460 (E_RNA)
where:
Base-Base interactions energy: -752.186
where: short stacking energy: -323.088
Base-Backbone interact. energy: -1.306
local terms energy: -334.905120
where:
bonds (distance) C4'-P energy: -56.795
bonds (distance) P-C4' energy: -59.742
flat angles C4'-P-C4' energy: -84.469
flat angles P-C4'-P energy: -53.863
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: 7, replica: 2
=====================================
Write number: 240
Temperature: 1.200000
Total energy: -975.002854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -975.002854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -975.002854 (E_RNA)
where:
Base-Base interactions energy: -653.960
where: short stacking energy: -295.379
Base-Backbone interact. energy: -1.930
local terms energy: -319.112390
where:
bonds (distance) C4'-P energy: -68.364
bonds (distance) P-C4' energy: -58.756
flat angles C4'-P-C4' energy: -66.494
flat angles P-C4'-P energy: -50.375
tors. eta vs tors. theta energy: -75.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 240
Temperature: 1.250000
Total energy: -838.338338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -838.338338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -838.338338 (E_RNA)
where:
Base-Base interactions energy: -577.842
where: short stacking energy: -231.955
Base-Backbone interact. energy: -0.572
local terms energy: -259.924492
where:
bonds (distance) C4'-P energy: -75.542
bonds (distance) P-C4' energy: -53.175
flat angles C4'-P-C4' energy: -53.374
flat angles P-C4'-P energy: -37.117
tors. eta vs tors. theta energy: -40.717
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: 9, replica: 10
=====================================
Write number: 240
Temperature: 1.300000
Total energy: -575.098953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -575.098953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -575.098953 (E_RNA)
where:
Base-Base interactions energy: -354.475
where: short stacking energy: -172.236
Base-Backbone interact. energy: 3.343
local terms energy: -223.966978
where:
bonds (distance) C4'-P energy: -48.240
bonds (distance) P-C4' energy: -66.546
flat angles C4'-P-C4' energy: -51.973
flat angles P-C4'-P energy: -41.084
tors. eta vs tors. theta energy: -16.124
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: 4
=====================================
Write number: 240
Temperature: 1.350000
Total energy: -475.675805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.675805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.675805 (E_RNA)
where:
Base-Base interactions energy: -263.824
where: short stacking energy: -145.198
Base-Backbone interact. energy: 6.998
local terms energy: -218.849873
where:
bonds (distance) C4'-P energy: -71.034
bonds (distance) P-C4' energy: -51.146
flat angles C4'-P-C4' energy: -55.781
flat angles P-C4'-P energy: -32.646
tors. eta vs tors. theta energy: -8.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 241
Temperature: 0.900000
Total energy: -1383.748662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1383.748662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1383.748662 (E_RNA)
where:
Base-Base interactions energy: -978.119
where: short stacking energy: -403.043
Base-Backbone interact. energy: -2.373
local terms energy: -403.256124
where:
bonds (distance) C4'-P energy: -67.351
bonds (distance) P-C4' energy: -72.802
flat angles C4'-P-C4' energy: -87.038
flat angles P-C4'-P energy: -58.716
tors. eta vs tors. theta energy: -117.348
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: 8
=====================================
Write number: 241
Temperature: 0.950000
Total energy: -1326.249737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1326.249737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1326.249737 (E_RNA)
where:
Base-Base interactions energy: -899.680
where: short stacking energy: -399.133
Base-Backbone interact. energy: -1.130
local terms energy: -425.726946
where:
bonds (distance) C4'-P energy: -78.667
bonds (distance) P-C4' energy: -79.024
flat angles C4'-P-C4' energy: -86.352
flat angles P-C4'-P energy: -65.356
tors. eta vs tors. theta energy: -116.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.287 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 241
Temperature: 1.000000
Total energy: -1250.341317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1250.341317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1250.341317 (E_RNA)
where:
Base-Base interactions energy: -870.401
where: short stacking energy: -335.524
Base-Backbone interact. energy: -2.320
local terms energy: -377.620272
where:
bonds (distance) C4'-P energy: -70.584
bonds (distance) P-C4' energy: -88.104
flat angles C4'-P-C4' energy: -80.306
flat angles P-C4'-P energy: -51.986
tors. eta vs tors. theta energy: -86.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 241
Temperature: 1.050000
Total energy: -1259.224013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1259.224013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1259.224013 (E_RNA)
where:
Base-Base interactions energy: -879.154
where: short stacking energy: -378.787
Base-Backbone interact. energy: -2.131
local terms energy: -377.938578
where:
bonds (distance) C4'-P energy: -63.762
bonds (distance) P-C4' energy: -79.075
flat angles C4'-P-C4' energy: -80.063
flat angles P-C4'-P energy: -53.660
tors. eta vs tors. theta energy: -101.378
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: 7
=====================================
Write number: 241
Temperature: 1.100000
Total energy: -1166.793496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1166.793496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1166.793496 (E_RNA)
where:
Base-Base interactions energy: -793.450
where: short stacking energy: -357.479
Base-Backbone interact. energy: -0.534
local terms energy: -372.809231
where:
bonds (distance) C4'-P energy: -72.366
bonds (distance) P-C4' energy: -72.342
flat angles C4'-P-C4' energy: -81.764
flat angles P-C4'-P energy: -48.738
tors. eta vs tors. theta energy: -97.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 241
Temperature: 1.150000
Total energy: -1062.073945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1062.073945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1062.073945 (E_RNA)
where:
Base-Base interactions energy: -734.704
where: short stacking energy: -313.788
Base-Backbone interact. energy: -2.476
local terms energy: -324.893900
where:
bonds (distance) C4'-P energy: -70.137
bonds (distance) P-C4' energy: -56.535
flat angles C4'-P-C4' energy: -64.978
flat angles P-C4'-P energy: -54.412
tors. eta vs tors. theta energy: -78.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 241
Temperature: 1.200000
Total energy: -936.487961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -936.487961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -936.487961 (E_RNA)
where:
Base-Base interactions energy: -609.630
where: short stacking energy: -264.516
Base-Backbone interact. energy: 0.453
local terms energy: -327.310773
where:
bonds (distance) C4'-P energy: -63.466
bonds (distance) P-C4' energy: -81.262
flat angles C4'-P-C4' energy: -66.625
flat angles P-C4'-P energy: -54.264
tors. eta vs tors. theta energy: -61.693
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: 241
Temperature: 1.250000
Total energy: -832.942909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -832.942909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -832.942909 (E_RNA)
where:
Base-Base interactions energy: -552.793
where: short stacking energy: -252.920
Base-Backbone interact. energy: 0.611
local terms energy: -280.761179
where:
bonds (distance) C4'-P energy: -62.986
bonds (distance) P-C4' energy: -66.825
flat angles C4'-P-C4' energy: -57.348
flat angles P-C4'-P energy: -46.808
tors. eta vs tors. theta energy: -46.795
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: 10
=====================================
Write number: 241
Temperature: 1.300000
Total energy: -550.711054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.711054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.711054 (E_RNA)
where:
Base-Base interactions energy: -290.332
where: short stacking energy: -157.013
Base-Backbone interact. energy: -0.031
local terms energy: -260.348667
where:
bonds (distance) C4'-P energy: -67.423
bonds (distance) P-C4' energy: -58.769
flat angles C4'-P-C4' energy: -65.394
flat angles P-C4'-P energy: -38.650
tors. eta vs tors. theta energy: -30.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 241
Temperature: 1.350000
Total energy: -424.189887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.189887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.189887 (E_RNA)
where:
Base-Base interactions energy: -195.566
where: short stacking energy: -91.690
Base-Backbone interact. energy: 1.607
local terms energy: -230.231107
where:
bonds (distance) C4'-P energy: -72.842
bonds (distance) P-C4' energy: -78.389
flat angles C4'-P-C4' energy: -43.285
flat angles P-C4'-P energy: -35.805
tors. eta vs tors. theta energy: 0.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 242
Temperature: 0.900000
Total energy: -1390.908773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1390.908773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1390.908773 (E_RNA)
where:
Base-Base interactions energy: -961.660
where: short stacking energy: -407.212
Base-Backbone interact. energy: -1.883
local terms energy: -427.365135
where:
bonds (distance) C4'-P energy: -73.777
bonds (distance) P-C4' energy: -82.411
flat angles C4'-P-C4' energy: -90.592
flat angles P-C4'-P energy: -66.167
tors. eta vs tors. theta energy: -114.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 242
Temperature: 0.950000
Total energy: -1318.534893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1318.534893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1318.534893 (E_RNA)
where:
Base-Base interactions energy: -913.873
where: short stacking energy: -389.408
Base-Backbone interact. energy: -1.970
local terms energy: -402.691924
where:
bonds (distance) C4'-P energy: -65.543
bonds (distance) P-C4' energy: -76.281
flat angles C4'-P-C4' energy: -88.124
flat angles P-C4'-P energy: -52.144
tors. eta vs tors. theta energy: -120.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 242
Temperature: 1.000000
Total energy: -1267.394882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1267.394882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1267.394882 (E_RNA)
where:
Base-Base interactions energy: -914.355
where: short stacking energy: -343.347
Base-Backbone interact. energy: -1.608
local terms energy: -351.432368
where:
bonds (distance) C4'-P energy: -68.403
bonds (distance) P-C4' energy: -71.691
flat angles C4'-P-C4' energy: -79.358
flat angles P-C4'-P energy: -43.733
tors. eta vs tors. theta energy: -88.248
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: 242
Temperature: 1.050000
Total energy: -1233.218583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1233.218583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1233.218583 (E_RNA)
where:
Base-Base interactions energy: -860.846
where: short stacking energy: -359.653
Base-Backbone interact. energy: -3.405
local terms energy: -368.967084
where:
bonds (distance) C4'-P energy: -56.111
bonds (distance) P-C4' energy: -79.115
flat angles C4'-P-C4' energy: -75.542
flat angles P-C4'-P energy: -60.422
tors. eta vs tors. theta energy: -97.777
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: 5, replica: 7
=====================================
Write number: 242
Temperature: 1.100000
Total energy: -1157.071175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1157.071175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1157.071175 (E_RNA)
where:
Base-Base interactions energy: -794.988
where: short stacking energy: -364.911
Base-Backbone interact. energy: 1.992
local terms energy: -364.075128
where:
bonds (distance) C4'-P energy: -64.128
bonds (distance) P-C4' energy: -59.913
flat angles C4'-P-C4' energy: -80.571
flat angles P-C4'-P energy: -57.127
tors. eta vs tors. theta energy: -102.337
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: 6, replica: 9
=====================================
Write number: 242
Temperature: 1.150000
Total energy: -1057.322430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1057.322430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1057.322430 (E_RNA)
where:
Base-Base interactions energy: -730.219
where: short stacking energy: -288.651
Base-Backbone interact. energy: -0.497
local terms energy: -326.606092
where:
bonds (distance) C4'-P energy: -60.359
bonds (distance) P-C4' energy: -70.438
flat angles C4'-P-C4' energy: -72.123
flat angles P-C4'-P energy: -53.392
tors. eta vs tors. theta energy: -70.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 242
Temperature: 1.200000
Total energy: -924.855656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -924.855656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -924.855656 (E_RNA)
where:
Base-Base interactions energy: -627.032
where: short stacking energy: -285.961
Base-Backbone interact. energy: -1.781
local terms energy: -296.043071
where:
bonds (distance) C4'-P energy: -55.371
bonds (distance) P-C4' energy: -69.181
flat angles C4'-P-C4' energy: -59.846
flat angles P-C4'-P energy: -50.665
tors. eta vs tors. theta energy: -60.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 242
Temperature: 1.250000
Total energy: -856.255386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -856.255386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -856.255386 (E_RNA)
where:
Base-Base interactions energy: -565.028
where: short stacking energy: -247.269
Base-Backbone interact. energy: -2.126
local terms energy: -289.101575
where:
bonds (distance) C4'-P energy: -63.781
bonds (distance) P-C4' energy: -71.111
flat angles C4'-P-C4' energy: -74.009
flat angles P-C4'-P energy: -28.974
tors. eta vs tors. theta energy: -51.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 242
Temperature: 1.300000
Total energy: -562.640938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -562.640938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -562.640938 (E_RNA)
where:
Base-Base interactions energy: -311.738
where: short stacking energy: -163.311
Base-Backbone interact. energy: -1.191
local terms energy: -249.712283
where:
bonds (distance) C4'-P energy: -66.922
bonds (distance) P-C4' energy: -64.118
flat angles C4'-P-C4' energy: -60.184
flat angles P-C4'-P energy: -31.597
tors. eta vs tors. theta energy: -26.891
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: 4
=====================================
Write number: 242
Temperature: 1.350000
Total energy: -457.705054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.705054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.705054 (E_RNA)
where:
Base-Base interactions energy: -243.367
where: short stacking energy: -124.760
Base-Backbone interact. energy: 0.515
local terms energy: -214.852792
where:
bonds (distance) C4'-P energy: -72.544
bonds (distance) P-C4' energy: -67.644
flat angles C4'-P-C4' energy: -46.573
flat angles P-C4'-P energy: -28.496
tors. eta vs tors. theta energy: 0.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 243
Temperature: 0.900000
Total energy: -1413.330348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1413.330348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1413.330348 (E_RNA)
where:
Base-Base interactions energy: -998.591
where: short stacking energy: -427.690
Base-Backbone interact. energy: -0.942
local terms energy: -413.797263
where:
bonds (distance) C4'-P energy: -73.957
bonds (distance) P-C4' energy: -76.524
flat angles C4'-P-C4' energy: -95.045
flat angles P-C4'-P energy: -50.680
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: 2, replica: 8
=====================================
Write number: 243
Temperature: 0.950000
Total energy: -1324.648310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1324.648310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1324.648310 (E_RNA)
where:
Base-Base interactions energy: -910.546
where: short stacking energy: -395.370
Base-Backbone interact. energy: -3.780
local terms energy: -410.322526
where:
bonds (distance) C4'-P energy: -73.293
bonds (distance) P-C4' energy: -71.534
flat angles C4'-P-C4' energy: -84.221
flat angles P-C4'-P energy: -64.606
tors. eta vs tors. theta energy: -116.668
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: 6
=====================================
Write number: 243
Temperature: 1.000000
Total energy: -1289.925402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1289.925402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1289.925402 (E_RNA)
where:
Base-Base interactions energy: -923.230
where: short stacking energy: -358.713
Base-Backbone interact. energy: -3.775
local terms energy: -362.919726
where:
bonds (distance) C4'-P energy: -69.818
bonds (distance) P-C4' energy: -69.255
flat angles C4'-P-C4' energy: -73.013
flat angles P-C4'-P energy: -54.070
tors. eta vs tors. theta energy: -96.764
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: 4, replica: 3
=====================================
Write number: 243
Temperature: 1.050000
Total energy: -1235.955552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1235.955552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1235.955552 (E_RNA)
where:
Base-Base interactions energy: -841.875
where: short stacking energy: -355.959
Base-Backbone interact. energy: -2.098
local terms energy: -391.983523
where:
bonds (distance) C4'-P energy: -76.085
bonds (distance) P-C4' energy: -70.046
flat angles C4'-P-C4' energy: -90.715
flat angles P-C4'-P energy: -52.983
tors. eta vs tors. theta energy: -102.154
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: 7
=====================================
Write number: 243
Temperature: 1.100000
Total energy: -1112.199822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1112.199822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1112.199822 (E_RNA)
where:
Base-Base interactions energy: -737.085
where: short stacking energy: -326.367
Base-Backbone interact. energy: 0.961
local terms energy: -378.316370
where:
bonds (distance) C4'-P energy: -68.512
bonds (distance) P-C4' energy: -79.586
flat angles C4'-P-C4' energy: -75.606
flat angles P-C4'-P energy: -57.272
tors. eta vs tors. theta energy: -97.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 2.241 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 243
Temperature: 1.150000
Total energy: -1072.190949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1072.190949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1072.190949 (E_RNA)
where:
Base-Base interactions energy: -743.976
where: short stacking energy: -326.002
Base-Backbone interact. energy: -1.477
local terms energy: -326.738073
where:
bonds (distance) C4'-P energy: -69.288
bonds (distance) P-C4' energy: -64.925
flat angles C4'-P-C4' energy: -63.829
flat angles P-C4'-P energy: -49.790
tors. eta vs tors. theta energy: -78.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 243
Temperature: 1.200000
Total energy: -931.425033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -931.425033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -931.425033 (E_RNA)
where:
Base-Base interactions energy: -616.239
where: short stacking energy: -269.092
Base-Backbone interact. energy: 0.689
local terms energy: -315.874788
where:
bonds (distance) C4'-P energy: -60.656
bonds (distance) P-C4' energy: -68.290
flat angles C4'-P-C4' energy: -70.165
flat angles P-C4'-P energy: -45.125
tors. eta vs tors. theta energy: -71.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 243
Temperature: 1.250000
Total energy: -853.974812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -853.974812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -853.974812 (E_RNA)
where:
Base-Base interactions energy: -573.596
where: short stacking energy: -258.626
Base-Backbone interact. energy: -1.865
local terms energy: -278.513509
where:
bonds (distance) C4'-P energy: -65.975
bonds (distance) P-C4' energy: -56.520
flat angles C4'-P-C4' energy: -62.420
flat angles P-C4'-P energy: -33.208
tors. eta vs tors. theta energy: -60.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 243
Temperature: 1.300000
Total energy: -520.152951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.152951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.152951 (E_RNA)
where:
Base-Base interactions energy: -312.351
where: short stacking energy: -137.036
Base-Backbone interact. energy: 2.023
local terms energy: -209.824184
where:
bonds (distance) C4'-P energy: -56.901
bonds (distance) P-C4' energy: -63.077
flat angles C4'-P-C4' energy: -50.471
flat angles P-C4'-P energy: -36.565
tors. eta vs tors. theta energy: -2.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 243
Temperature: 1.350000
Total energy: -475.722245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.722245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.722245 (E_RNA)
where:
Base-Base interactions energy: -258.254
where: short stacking energy: -148.183
Base-Backbone interact. energy: -2.040
local terms energy: -215.427758
where:
bonds (distance) C4'-P energy: -52.858
bonds (distance) P-C4' energy: -66.947
flat angles C4'-P-C4' energy: -40.934
flat angles P-C4'-P energy: -34.152
tors. eta vs tors. theta energy: -20.537
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: 244
Temperature: 0.900000
Total energy: -1393.792349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1393.792349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1393.792349 (E_RNA)
where:
Base-Base interactions energy: -969.559
where: short stacking energy: -401.399
Base-Backbone interact. energy: -0.829
local terms energy: -423.404385
where:
bonds (distance) C4'-P energy: -73.933
bonds (distance) P-C4' energy: -81.643
flat angles C4'-P-C4' energy: -83.929
flat angles P-C4'-P energy: -64.277
tors. eta vs tors. theta energy: -119.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 244
Temperature: 0.950000
Total energy: -1336.764970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1336.764970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1336.764970 (E_RNA)
where:
Base-Base interactions energy: -924.771
where: short stacking energy: -394.999
Base-Backbone interact. energy: -1.721
local terms energy: -410.272560
where:
bonds (distance) C4'-P energy: -73.880
bonds (distance) P-C4' energy: -70.665
flat angles C4'-P-C4' energy: -91.470
flat angles P-C4'-P energy: -57.038
tors. eta vs tors. theta energy: -117.219
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: 6
=====================================
Write number: 244
Temperature: 1.000000
Total energy: -1280.224952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1280.224952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1280.224952 (E_RNA)
where:
Base-Base interactions energy: -911.956
where: short stacking energy: -358.827
Base-Backbone interact. energy: -1.163
local terms energy: -367.106326
where:
bonds (distance) C4'-P energy: -77.448
bonds (distance) P-C4' energy: -65.004
flat angles C4'-P-C4' energy: -88.557
flat angles P-C4'-P energy: -46.246
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: 4, replica: 3
=====================================
Write number: 244
Temperature: 1.050000
Total energy: -1209.887347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1209.887347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1209.887347 (E_RNA)
where:
Base-Base interactions energy: -843.971
where: short stacking energy: -379.463
Base-Backbone interact. energy: -2.614
local terms energy: -363.302568
where:
bonds (distance) C4'-P energy: -60.196
bonds (distance) P-C4' energy: -59.112
flat angles C4'-P-C4' energy: -89.834
flat angles P-C4'-P energy: -52.495
tors. eta vs tors. theta energy: -101.665
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: 7
=====================================
Write number: 244
Temperature: 1.100000
Total energy: -1118.259764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1118.259764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1118.259764 (E_RNA)
where:
Base-Base interactions energy: -754.879
where: short stacking energy: -326.636
Base-Backbone interact. energy: -0.740
local terms energy: -362.639903
where:
bonds (distance) C4'-P energy: -72.495
bonds (distance) P-C4' energy: -73.097
flat angles C4'-P-C4' energy: -70.494
flat angles P-C4'-P energy: -45.860
tors. eta vs tors. theta energy: -100.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 244
Temperature: 1.150000
Total energy: -1055.229889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1055.229889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1055.229889 (E_RNA)
where:
Base-Base interactions energy: -725.376
where: short stacking energy: -308.302
Base-Backbone interact. energy: 0.064
local terms energy: -329.917199
where:
bonds (distance) C4'-P energy: -51.611
bonds (distance) P-C4' energy: -67.019
flat angles C4'-P-C4' energy: -76.348
flat angles P-C4'-P energy: -50.357
tors. eta vs tors. theta energy: -84.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 244
Temperature: 1.200000
Total energy: -992.937623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -992.937623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -992.937623 (E_RNA)
where:
Base-Base interactions energy: -681.357
where: short stacking energy: -290.948
Base-Backbone interact. energy: -0.990
local terms energy: -310.590988
where:
bonds (distance) C4'-P energy: -56.431
bonds (distance) P-C4' energy: -69.788
flat angles C4'-P-C4' energy: -65.602
flat angles P-C4'-P energy: -43.513
tors. eta vs tors. theta energy: -75.256
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: 8, replica: 1
=====================================
Write number: 244
Temperature: 1.250000
Total energy: -860.566071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -860.566071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -860.566071 (E_RNA)
where:
Base-Base interactions energy: -559.539
where: short stacking energy: -252.825
Base-Backbone interact. energy: -3.299
local terms energy: -297.728318
where:
bonds (distance) C4'-P energy: -60.966
bonds (distance) P-C4' energy: -69.884
flat angles C4'-P-C4' energy: -70.118
flat angles P-C4'-P energy: -40.130
tors. eta vs tors. theta energy: -56.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 244
Temperature: 1.300000
Total energy: -510.283603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.283603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.283603 (E_RNA)
where:
Base-Base interactions energy: -273.743
where: short stacking energy: -152.892
Base-Backbone interact. energy: 4.658
local terms energy: -241.198085
where:
bonds (distance) C4'-P energy: -64.019
bonds (distance) P-C4' energy: -64.201
flat angles C4'-P-C4' energy: -53.227
flat angles P-C4'-P energy: -42.573
tors. eta vs tors. theta energy: -17.179
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: 10
=====================================
Write number: 244
Temperature: 1.350000
Total energy: -485.254417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.254417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.254417 (E_RNA)
where:
Base-Base interactions energy: -261.138
where: short stacking energy: -145.252
Base-Backbone interact. energy: 5.303
local terms energy: -233.169463
where:
bonds (distance) C4'-P energy: -64.862
bonds (distance) P-C4' energy: -69.975
flat angles C4'-P-C4' energy: -61.139
flat angles P-C4'-P energy: -33.258
tors. eta vs tors. theta energy: -3.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 3.751 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 245
Temperature: 0.900000
Total energy: -1396.139408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1396.139408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1396.139408 (E_RNA)
where:
Base-Base interactions energy: -990.662
where: short stacking energy: -399.726
Base-Backbone interact. energy: 0.891
local terms energy: -406.367881
where:
bonds (distance) C4'-P energy: -76.057
bonds (distance) P-C4' energy: -74.570
flat angles C4'-P-C4' energy: -70.932
flat angles P-C4'-P energy: -64.896
tors. eta vs tors. theta energy: -119.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 245
Temperature: 0.950000
Total energy: -1305.443665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1305.443665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1305.443665 (E_RNA)
where:
Base-Base interactions energy: -904.067
where: short stacking energy: -374.750
Base-Backbone interact. energy: -1.312
local terms energy: -400.065107
where:
bonds (distance) C4'-P energy: -74.529
bonds (distance) P-C4' energy: -75.849
flat angles C4'-P-C4' energy: -86.649
flat angles P-C4'-P energy: -48.488
tors. eta vs tors. theta energy: -114.551
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: 3, replica: 6
=====================================
Write number: 245
Temperature: 1.000000
Total energy: -1255.345628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1255.345628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1255.345628 (E_RNA)
where:
Base-Base interactions energy: -882.771
where: short stacking energy: -330.323
Base-Backbone interact. energy: 1.480
local terms energy: -374.054613
where:
bonds (distance) C4'-P energy: -72.873
bonds (distance) P-C4' energy: -76.655
flat angles C4'-P-C4' energy: -80.860
flat angles P-C4'-P energy: -57.959
tors. eta vs tors. theta energy: -85.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 245
Temperature: 1.050000
Total energy: -1267.735961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1267.735961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1267.735961 (E_RNA)
where:
Base-Base interactions energy: -886.188
where: short stacking energy: -392.707
Base-Backbone interact. energy: 0.025
local terms energy: -381.572838
where:
bonds (distance) C4'-P energy: -62.014
bonds (distance) P-C4' energy: -68.347
flat angles C4'-P-C4' energy: -82.481
flat angles P-C4'-P energy: -57.913
tors. eta vs tors. theta energy: -110.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 245
Temperature: 1.100000
Total energy: -1120.946296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1120.946296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1120.946296 (E_RNA)
where:
Base-Base interactions energy: -756.935
where: short stacking energy: -341.830
Base-Backbone interact. energy: -1.167
local terms energy: -362.844458
where:
bonds (distance) C4'-P energy: -59.074
bonds (distance) P-C4' energy: -75.443
flat angles C4'-P-C4' energy: -86.095
flat angles P-C4'-P energy: -42.289
tors. eta vs tors. theta energy: -99.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 245
Temperature: 1.150000
Total energy: -1074.486455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1074.486455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1074.486455 (E_RNA)
where:
Base-Base interactions energy: -731.335
where: short stacking energy: -319.457
Base-Backbone interact. energy: 0.222
local terms energy: -343.373411
where:
bonds (distance) C4'-P energy: -54.493
bonds (distance) P-C4' energy: -72.251
flat angles C4'-P-C4' energy: -75.299
flat angles P-C4'-P energy: -50.919
tors. eta vs tors. theta energy: -90.412
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: 2
=====================================
Write number: 245
Temperature: 1.200000
Total energy: -994.483009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -994.483009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -994.483009 (E_RNA)
where:
Base-Base interactions energy: -671.110
where: short stacking energy: -283.946
Base-Backbone interact. energy: -0.573
local terms energy: -322.800989
where:
bonds (distance) C4'-P energy: -71.983
bonds (distance) P-C4' energy: -69.041
flat angles C4'-P-C4' energy: -72.134
flat angles P-C4'-P energy: -44.380
tors. eta vs tors. theta energy: -65.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 245
Temperature: 1.250000
Total energy: -872.179445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -872.179445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -872.179445 (E_RNA)
where:
Base-Base interactions energy: -559.471
where: short stacking energy: -240.674
Base-Backbone interact. energy: -0.645
local terms energy: -312.063948
where:
bonds (distance) C4'-P energy: -58.031
bonds (distance) P-C4' energy: -78.907
flat angles C4'-P-C4' energy: -70.278
flat angles P-C4'-P energy: -40.546
tors. eta vs tors. theta energy: -64.302
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: 4
=====================================
Write number: 245
Temperature: 1.300000
Total energy: -490.466324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.466324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.466324 (E_RNA)
where:
Base-Base interactions energy: -242.338
where: short stacking energy: -133.114
Base-Backbone interact. energy: -1.126
local terms energy: -247.002619
where:
bonds (distance) C4'-P energy: -68.587
bonds (distance) P-C4' energy: -71.033
flat angles C4'-P-C4' energy: -57.511
flat angles P-C4'-P energy: -38.119
tors. eta vs tors. theta energy: -11.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 245
Temperature: 1.350000
Total energy: -427.393433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.393433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.393433 (E_RNA)
where:
Base-Base interactions energy: -246.688
where: short stacking energy: -129.662
Base-Backbone interact. energy: -0.870
local terms energy: -179.835270
where:
bonds (distance) C4'-P energy: -56.628
bonds (distance) P-C4' energy: -54.823
flat angles C4'-P-C4' energy: -39.898
flat angles P-C4'-P energy: -33.284
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: 1, replica: 5
=====================================
Write number: 246
Temperature: 0.900000
Total energy: -1401.917204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1401.917204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1401.917204 (E_RNA)
where:
Base-Base interactions energy: -977.216
where: short stacking energy: -416.085
Base-Backbone interact. energy: -2.928
local terms energy: -421.772957
where:
bonds (distance) C4'-P energy: -74.597
bonds (distance) P-C4' energy: -80.609
flat angles C4'-P-C4' energy: -85.200
flat angles P-C4'-P energy: -59.931
tors. eta vs tors. theta energy: -121.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 246
Temperature: 0.950000
Total energy: -1312.334647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1312.334647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1312.334647 (E_RNA)
where:
Base-Base interactions energy: -914.438
where: short stacking energy: -387.383
Base-Backbone interact. energy: -0.973
local terms energy: -396.923731
where:
bonds (distance) C4'-P energy: -73.699
bonds (distance) P-C4' energy: -64.448
flat angles C4'-P-C4' energy: -86.623
flat angles P-C4'-P energy: -56.307
tors. eta vs tors. theta energy: -115.847
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: 3, replica: 3
=====================================
Write number: 246
Temperature: 1.000000
Total energy: -1253.273023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1253.273023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1253.273023 (E_RNA)
where:
Base-Base interactions energy: -866.914
where: short stacking energy: -370.112
Base-Backbone interact. energy: -2.011
local terms energy: -386.496994
where:
bonds (distance) C4'-P energy: -72.892
bonds (distance) P-C4' energy: -58.497
flat angles C4'-P-C4' energy: -91.000
flat angles P-C4'-P energy: -56.148
tors. eta vs tors. theta energy: -107.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 2.148 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 246
Temperature: 1.050000
Total energy: -1249.879093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1249.879093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1249.879093 (E_RNA)
where:
Base-Base interactions energy: -879.890
where: short stacking energy: -364.911
Base-Backbone interact. energy: -1.400
local terms energy: -368.589540
where:
bonds (distance) C4'-P energy: -56.528
bonds (distance) P-C4' energy: -71.655
flat angles C4'-P-C4' energy: -81.765
flat angles P-C4'-P energy: -61.676
tors. eta vs tors. theta energy: -96.965
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: 7
=====================================
Write number: 246
Temperature: 1.100000
Total energy: -1122.619685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1122.619685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1122.619685 (E_RNA)
where:
Base-Base interactions energy: -748.011
where: short stacking energy: -345.306
Base-Backbone interact. energy: -0.394
local terms energy: -374.214020
where:
bonds (distance) C4'-P energy: -74.810
bonds (distance) P-C4' energy: -77.816
flat angles C4'-P-C4' energy: -69.055
flat angles P-C4'-P energy: -54.587
tors. eta vs tors. theta energy: -97.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 246
Temperature: 1.150000
Total energy: -1033.961260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1033.961260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1033.961260 (E_RNA)
where:
Base-Base interactions energy: -710.717
where: short stacking energy: -311.590
Base-Backbone interact. energy: -1.362
local terms energy: -321.882484
where:
bonds (distance) C4'-P energy: -58.336
bonds (distance) P-C4' energy: -76.964
flat angles C4'-P-C4' energy: -67.929
flat angles P-C4'-P energy: -50.587
tors. eta vs tors. theta energy: -68.065
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: 2
=====================================
Write number: 246
Temperature: 1.200000
Total energy: -947.978547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -947.978547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -947.978547 (E_RNA)
where:
Base-Base interactions energy: -627.080
where: short stacking energy: -267.599
Base-Backbone interact. energy: 2.444
local terms energy: -323.342391
where:
bonds (distance) C4'-P energy: -65.965
bonds (distance) P-C4' energy: -73.748
flat angles C4'-P-C4' energy: -63.396
flat angles P-C4'-P energy: -53.798
tors. eta vs tors. theta energy: -66.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 246
Temperature: 1.250000
Total energy: -877.064029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -877.064029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -877.064029 (E_RNA)
where:
Base-Base interactions energy: -559.307
where: short stacking energy: -249.247
Base-Backbone interact. energy: 0.458
local terms energy: -318.214764
where:
bonds (distance) C4'-P energy: -73.465
bonds (distance) P-C4' energy: -76.674
flat angles C4'-P-C4' energy: -67.503
flat angles P-C4'-P energy: -37.898
tors. eta vs tors. theta energy: -62.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 246
Temperature: 1.300000
Total energy: -491.618823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.618823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.618823 (E_RNA)
where:
Base-Base interactions energy: -277.152
where: short stacking energy: -146.515
Base-Backbone interact. energy: -2.944
local terms energy: -211.523007
where:
bonds (distance) C4'-P energy: -46.029
bonds (distance) P-C4' energy: -61.759
flat angles C4'-P-C4' energy: -56.103
flat angles P-C4'-P energy: -34.828
tors. eta vs tors. theta energy: -12.803
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: 10, replica: 10
=====================================
Write number: 246
Temperature: 1.350000
Total energy: -441.629676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.629676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -441.629676 (E_RNA)
where:
Base-Base interactions energy: -215.759
where: short stacking energy: -116.114
Base-Backbone interact. energy: -0.166
local terms energy: -226.121734
where:
bonds (distance) C4'-P energy: -65.739
bonds (distance) P-C4' energy: -68.068
flat angles C4'-P-C4' energy: -63.284
flat angles P-C4'-P energy: -33.324
tors. eta vs tors. theta energy: 4.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.416 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 247
Temperature: 0.900000
Total energy: -1391.829805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1391.829805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1391.829805 (E_RNA)
where:
Base-Base interactions energy: -977.262
where: short stacking energy: -411.972
Base-Backbone interact. energy: -0.043
local terms energy: -414.524697
where:
bonds (distance) C4'-P energy: -81.213
bonds (distance) P-C4' energy: -80.101
flat angles C4'-P-C4' energy: -77.676
flat angles P-C4'-P energy: -52.803
tors. eta vs tors. theta energy: -122.731
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: 8
=====================================
Write number: 247
Temperature: 0.950000
Total energy: -1332.441768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1332.441768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1332.441768 (E_RNA)
where:
Base-Base interactions energy: -934.627
where: short stacking energy: -409.797
Base-Backbone interact. energy: -0.496
local terms energy: -397.319046
where:
bonds (distance) C4'-P energy: -71.363
bonds (distance) P-C4' energy: -73.546
flat angles C4'-P-C4' energy: -82.836
flat angles P-C4'-P energy: -50.107
tors. eta vs tors. theta energy: -119.467
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: 3
=====================================
Write number: 247
Temperature: 1.000000
Total energy: -1256.281679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1256.281679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1256.281679 (E_RNA)
where:
Base-Base interactions energy: -856.724
where: short stacking energy: -377.608
Base-Backbone interact. energy: -0.797
local terms energy: -398.760641
where:
bonds (distance) C4'-P energy: -86.792
bonds (distance) P-C4' energy: -68.032
flat angles C4'-P-C4' energy: -81.165
flat angles P-C4'-P energy: -51.751
tors. eta vs tors. theta energy: -111.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 247
Temperature: 1.050000
Total energy: -1254.150235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1254.150235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1254.150235 (E_RNA)
where:
Base-Base interactions energy: -881.715
where: short stacking energy: -338.808
Base-Backbone interact. energy: -0.270
local terms energy: -372.165320
where:
bonds (distance) C4'-P energy: -66.233
bonds (distance) P-C4' energy: -75.908
flat angles C4'-P-C4' energy: -83.474
flat angles P-C4'-P energy: -53.289
tors. eta vs tors. theta energy: -93.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 247
Temperature: 1.100000
Total energy: -1098.489728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1098.489728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1098.489728 (E_RNA)
where:
Base-Base interactions energy: -748.010
where: short stacking energy: -341.201
Base-Backbone interact. energy: -1.245
local terms energy: -349.235010
where:
bonds (distance) C4'-P energy: -60.428
bonds (distance) P-C4' energy: -72.389
flat angles C4'-P-C4' energy: -73.192
flat angles P-C4'-P energy: -46.698
tors. eta vs tors. theta energy: -96.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 247
Temperature: 1.150000
Total energy: -1024.718401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1024.718401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1024.718401 (E_RNA)
where:
Base-Base interactions energy: -683.569
where: short stacking energy: -286.658
Base-Backbone interact. energy: 1.210
local terms energy: -342.359214
where:
bonds (distance) C4'-P energy: -55.823
bonds (distance) P-C4' energy: -80.658
flat angles C4'-P-C4' energy: -82.524
flat angles P-C4'-P energy: -40.088
tors. eta vs tors. theta energy: -83.266
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: 2
=====================================
Write number: 247
Temperature: 1.200000
Total energy: -1006.920933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1006.920933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1006.920933 (E_RNA)
where:
Base-Base interactions energy: -699.149
where: short stacking energy: -294.919
Base-Backbone interact. energy: 0.489
local terms energy: -308.260797
where:
bonds (distance) C4'-P energy: -55.071
bonds (distance) P-C4' energy: -60.286
flat angles C4'-P-C4' energy: -80.179
flat angles P-C4'-P energy: -40.729
tors. eta vs tors. theta energy: -71.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 247
Temperature: 1.250000
Total energy: -844.261888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -844.261888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -844.261888 (E_RNA)
where:
Base-Base interactions energy: -556.636
where: short stacking energy: -239.180
Base-Backbone interact. energy: -0.683
local terms energy: -286.943515
where:
bonds (distance) C4'-P energy: -49.635
bonds (distance) P-C4' energy: -58.053
flat angles C4'-P-C4' energy: -72.448
flat angles P-C4'-P energy: -51.434
tors. eta vs tors. theta energy: -55.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 247
Temperature: 1.300000
Total energy: -512.377256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.377256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.377256 (E_RNA)
where:
Base-Base interactions energy: -281.608
where: short stacking energy: -146.382
Base-Backbone interact. energy: -1.652
local terms energy: -229.117081
where:
bonds (distance) C4'-P energy: -59.008
bonds (distance) P-C4' energy: -67.132
flat angles C4'-P-C4' energy: -56.612
flat angles P-C4'-P energy: -26.602
tors. eta vs tors. theta energy: -19.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 247
Temperature: 1.350000
Total energy: -520.963895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.963895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.963895 (E_RNA)
where:
Base-Base interactions energy: -275.878
where: short stacking energy: -132.217
Base-Backbone interact. energy: -0.731
local terms energy: -244.355129
where:
bonds (distance) C4'-P energy: -60.045
bonds (distance) P-C4' energy: -68.941
flat angles C4'-P-C4' energy: -59.266
flat angles P-C4'-P energy: -37.130
tors. eta vs tors. theta energy: -18.973
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: 1, replica: 5
=====================================
Write number: 248
Temperature: 0.900000
Total energy: -1413.489730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1413.489730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1413.489730 (E_RNA)
where:
Base-Base interactions energy: -1001.832
where: short stacking energy: -423.093
Base-Backbone interact. energy: 0.791
local terms energy: -412.449035
where:
bonds (distance) C4'-P energy: -71.150
bonds (distance) P-C4' energy: -77.914
flat angles C4'-P-C4' energy: -92.288
flat angles P-C4'-P energy: -48.142
tors. eta vs tors. theta energy: -122.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 248
Temperature: 0.950000
Total energy: -1329.201532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1329.201532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1329.201532 (E_RNA)
where:
Base-Base interactions energy: -924.855
where: short stacking energy: -385.640
Base-Backbone interact. energy: -0.984
local terms energy: -403.362377
where:
bonds (distance) C4'-P energy: -66.642
bonds (distance) P-C4' energy: -70.812
flat angles C4'-P-C4' energy: -89.094
flat angles P-C4'-P energy: -50.700
tors. eta vs tors. theta energy: -126.113
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: 3
=====================================
Write number: 248
Temperature: 1.000000
Total energy: -1271.849922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1271.849922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1271.849922 (E_RNA)
where:
Base-Base interactions energy: -885.991
where: short stacking energy: -382.653
Base-Backbone interact. energy: 1.478
local terms energy: -387.336987
where:
bonds (distance) C4'-P energy: -71.518
bonds (distance) P-C4' energy: -72.424
flat angles C4'-P-C4' energy: -89.473
flat angles P-C4'-P energy: -45.239
tors. eta vs tors. theta energy: -108.683
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: 6
=====================================
Write number: 248
Temperature: 1.050000
Total energy: -1235.213229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1235.213229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1235.213229 (E_RNA)
where:
Base-Base interactions energy: -871.474
where: short stacking energy: -349.670
Base-Backbone interact. energy: -5.864
local terms energy: -357.875470
where:
bonds (distance) C4'-P energy: -66.943
bonds (distance) P-C4' energy: -70.377
flat angles C4'-P-C4' energy: -74.356
flat angles P-C4'-P energy: -58.886
tors. eta vs tors. theta energy: -87.313
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: 9
=====================================
Write number: 248
Temperature: 1.100000
Total energy: -1085.429586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1085.429586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1085.429586 (E_RNA)
where:
Base-Base interactions energy: -752.761
where: short stacking energy: -316.219
Base-Backbone interact. energy: -1.559
local terms energy: -331.109182
where:
bonds (distance) C4'-P energy: -65.035
bonds (distance) P-C4' energy: -68.390
flat angles C4'-P-C4' energy: -68.592
flat angles P-C4'-P energy: -58.918
tors. eta vs tors. theta energy: -70.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 248
Temperature: 1.150000
Total energy: -1043.684756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1043.684756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1043.684756 (E_RNA)
where:
Base-Base interactions energy: -699.491
where: short stacking energy: -317.455
Base-Backbone interact. energy: -0.354
local terms energy: -343.839377
where:
bonds (distance) C4'-P energy: -75.542
bonds (distance) P-C4' energy: -61.528
flat angles C4'-P-C4' energy: -75.894
flat angles P-C4'-P energy: -48.879
tors. eta vs tors. theta energy: -81.997
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: 7, replica: 2
=====================================
Write number: 248
Temperature: 1.200000
Total energy: -997.004504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -997.004504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -997.004504 (E_RNA)
where:
Base-Base interactions energy: -650.033
where: short stacking energy: -311.870
Base-Backbone interact. energy: -2.592
local terms energy: -344.379206
where:
bonds (distance) C4'-P energy: -59.027
bonds (distance) P-C4' energy: -80.694
flat angles C4'-P-C4' energy: -77.311
flat angles P-C4'-P energy: -42.271
tors. eta vs tors. theta energy: -85.075
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: 1
=====================================
Write number: 248
Temperature: 1.250000
Total energy: -821.927081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -821.927081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -821.927081 (E_RNA)
where:
Base-Base interactions energy: -533.034
where: short stacking energy: -232.791
Base-Backbone interact. energy: -1.926
local terms energy: -286.966635
where:
bonds (distance) C4'-P energy: -62.055
bonds (distance) P-C4' energy: -73.836
flat angles C4'-P-C4' energy: -66.085
flat angles P-C4'-P energy: -32.977
tors. eta vs tors. theta energy: -52.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 248
Temperature: 1.300000
Total energy: -573.685938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -573.685938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -573.685938 (E_RNA)
where:
Base-Base interactions energy: -330.755
where: short stacking energy: -172.354
Base-Backbone interact. energy: -1.186
local terms energy: -241.744529
where:
bonds (distance) C4'-P energy: -62.188
bonds (distance) P-C4' energy: -62.014
flat angles C4'-P-C4' energy: -47.703
flat angles P-C4'-P energy: -48.859
tors. eta vs tors. theta energy: -20.980
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: 10
=====================================
Write number: 248
Temperature: 1.350000
Total energy: -520.347266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.347266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.347266 (E_RNA)
where:
Base-Base interactions energy: -289.841
where: short stacking energy: -162.254
Base-Backbone interact. energy: -0.839
local terms energy: -229.667668
where:
bonds (distance) C4'-P energy: -57.963
bonds (distance) P-C4' energy: -62.005
flat angles C4'-P-C4' energy: -57.557
flat angles P-C4'-P energy: -35.785
tors. eta vs tors. theta energy: -16.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 249
Temperature: 0.900000
Total energy: -1396.648318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1396.648318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1396.648318 (E_RNA)
where:
Base-Base interactions energy: -974.489
where: short stacking energy: -410.801
Base-Backbone interact. energy: -3.133
local terms energy: -419.026455
where:
bonds (distance) C4'-P energy: -73.321
bonds (distance) P-C4' energy: -81.362
flat angles C4'-P-C4' energy: -88.026
flat angles P-C4'-P energy: -58.846
tors. eta vs tors. theta energy: -117.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 249
Temperature: 0.950000
Total energy: -1337.136886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1337.136886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1337.136886 (E_RNA)
where:
Base-Base interactions energy: -923.065
where: short stacking energy: -389.056
Base-Backbone interact. energy: -3.044
local terms energy: -411.944958
where:
bonds (distance) C4'-P energy: -62.657
bonds (distance) P-C4' energy: -87.243
flat angles C4'-P-C4' energy: -82.211
flat angles P-C4'-P energy: -56.551
tors. eta vs tors. theta energy: -123.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.917 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 249
Temperature: 1.000000
Total energy: -1269.404476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1269.404476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1269.404476 (E_RNA)
where:
Base-Base interactions energy: -890.054
where: short stacking energy: -375.641
Base-Backbone interact. energy: -1.036
local terms energy: -378.314830
where:
bonds (distance) C4'-P energy: -66.395
bonds (distance) P-C4' energy: -71.759
flat angles C4'-P-C4' energy: -81.593
flat angles P-C4'-P energy: -52.411
tors. eta vs tors. theta energy: -106.157
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: 6
=====================================
Write number: 249
Temperature: 1.050000
Total energy: -1229.141355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1229.141355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1229.141355 (E_RNA)
where:
Base-Base interactions energy: -852.559
where: short stacking energy: -323.876
Base-Backbone interact. energy: -0.438
local terms energy: -376.143735
where:
bonds (distance) C4'-P energy: -74.763
bonds (distance) P-C4' energy: -74.685
flat angles C4'-P-C4' energy: -83.366
flat angles P-C4'-P energy: -55.404
tors. eta vs tors. theta energy: -87.926
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: 9
=====================================
Write number: 249
Temperature: 1.100000
Total energy: -1128.263369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1128.263369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1128.263369 (E_RNA)
where:
Base-Base interactions energy: -747.514
where: short stacking energy: -327.256
Base-Backbone interact. energy: 0.351
local terms energy: -381.100131
where:
bonds (distance) C4'-P energy: -70.560
bonds (distance) P-C4' energy: -87.889
flat angles C4'-P-C4' energy: -80.237
flat angles P-C4'-P energy: -57.528
tors. eta vs tors. theta energy: -84.886
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: 7
=====================================
Write number: 249
Temperature: 1.150000
Total energy: -1046.221868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1046.221868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1046.221868 (E_RNA)
where:
Base-Base interactions energy: -711.472
where: short stacking energy: -324.277
Base-Backbone interact. energy: -0.968
local terms energy: -333.782014
where:
bonds (distance) C4'-P energy: -56.254
bonds (distance) P-C4' energy: -56.314
flat angles C4'-P-C4' energy: -74.499
flat angles P-C4'-P energy: -53.791
tors. eta vs tors. theta energy: -92.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 249
Temperature: 1.200000
Total energy: -981.095362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -981.095362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -981.095362 (E_RNA)
where:
Base-Base interactions energy: -655.082
where: short stacking energy: -299.101
Base-Backbone interact. energy: 2.303
local terms energy: -328.315912
where:
bonds (distance) C4'-P energy: -60.386
bonds (distance) P-C4' energy: -67.410
flat angles C4'-P-C4' energy: -69.392
flat angles P-C4'-P energy: -55.899
tors. eta vs tors. theta energy: -75.229
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: 1
=====================================
Write number: 249
Temperature: 1.250000
Total energy: -839.315220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -839.315220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -839.315220 (E_RNA)
where:
Base-Base interactions energy: -545.958
where: short stacking energy: -237.083
Base-Backbone interact. energy: 0.276
local terms energy: -293.633151
where:
bonds (distance) C4'-P energy: -60.474
bonds (distance) P-C4' energy: -61.842
flat angles C4'-P-C4' energy: -63.619
flat angles P-C4'-P energy: -51.827
tors. eta vs tors. theta energy: -55.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 249
Temperature: 1.300000
Total energy: -603.822963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -603.822963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -603.822963 (E_RNA)
where:
Base-Base interactions energy: -361.800
where: short stacking energy: -154.152
Base-Backbone interact. energy: -1.474
local terms energy: -240.548725
where:
bonds (distance) C4'-P energy: -57.791
bonds (distance) P-C4' energy: -66.961
flat angles C4'-P-C4' energy: -68.008
flat angles P-C4'-P energy: -32.000
tors. eta vs tors. theta energy: -15.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 249
Temperature: 1.350000
Total energy: -485.828554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.828554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.828554 (E_RNA)
where:
Base-Base interactions energy: -265.144
where: short stacking energy: -138.201
Base-Backbone interact. energy: -0.929
local terms energy: -219.755671
where:
bonds (distance) C4'-P energy: -45.580
bonds (distance) P-C4' energy: -74.743
flat angles C4'-P-C4' energy: -54.514
flat angles P-C4'-P energy: -30.725
tors. eta vs tors. theta energy: -14.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 250
Temperature: 0.900000
Total energy: -1363.109881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1363.109881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1363.109881 (E_RNA)
where:
Base-Base interactions energy: -954.825
where: short stacking energy: -425.277
Base-Backbone interact. energy: -1.292
local terms energy: -406.993188
where:
bonds (distance) C4'-P energy: -77.459
bonds (distance) P-C4' energy: -73.033
flat angles C4'-P-C4' energy: -84.176
flat angles P-C4'-P energy: -50.051
tors. eta vs tors. theta energy: -122.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 250
Temperature: 0.950000
Total energy: -1385.593539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1385.593539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1385.593539 (E_RNA)
where:
Base-Base interactions energy: -966.094
where: short stacking energy: -412.970
Base-Backbone interact. energy: -0.446
local terms energy: -419.053487
where:
bonds (distance) C4'-P energy: -65.618
bonds (distance) P-C4' energy: -82.233
flat angles C4'-P-C4' energy: -87.560
flat angles P-C4'-P energy: -61.679
tors. eta vs tors. theta energy: -121.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 250
Temperature: 1.000000
Total energy: -1258.373967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1258.373967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1258.373967 (E_RNA)
where:
Base-Base interactions energy: -868.341
where: short stacking energy: -362.545
Base-Backbone interact. energy: -2.489
local terms energy: -387.544358
where:
bonds (distance) C4'-P energy: -71.191
bonds (distance) P-C4' energy: -75.269
flat angles C4'-P-C4' energy: -85.022
flat angles P-C4'-P energy: -56.994
tors. eta vs tors. theta energy: -99.070
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: 6
=====================================
Write number: 250
Temperature: 1.050000
Total energy: -1181.570368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1181.570368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1181.570368 (E_RNA)
where:
Base-Base interactions energy: -831.213
where: short stacking energy: -320.226
Base-Backbone interact. energy: -2.996
local terms energy: -347.360540
where:
bonds (distance) C4'-P energy: -80.012
bonds (distance) P-C4' energy: -67.874
flat angles C4'-P-C4' energy: -66.666
flat angles P-C4'-P energy: -51.923
tors. eta vs tors. theta energy: -80.885
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: 9
=====================================
Write number: 250
Temperature: 1.100000
Total energy: -1105.108918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1105.108918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1105.108918 (E_RNA)
where:
Base-Base interactions energy: -756.081
where: short stacking energy: -321.791
Base-Backbone interact. energy: -1.071
local terms energy: -347.957062
where:
bonds (distance) C4'-P energy: -73.801
bonds (distance) P-C4' energy: -68.045
flat angles C4'-P-C4' energy: -67.433
flat angles P-C4'-P energy: -59.319
tors. eta vs tors. theta energy: -79.360
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: 7
=====================================
Write number: 250
Temperature: 1.150000
Total energy: -1025.855451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1025.855451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1025.855451 (E_RNA)
where:
Base-Base interactions energy: -679.099
where: short stacking energy: -294.735
Base-Backbone interact. energy: -1.231
local terms energy: -345.525343
where:
bonds (distance) C4'-P energy: -61.280
bonds (distance) P-C4' energy: -76.556
flat angles C4'-P-C4' energy: -69.131
flat angles P-C4'-P energy: -52.962
tors. eta vs tors. theta energy: -85.596
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: 2
=====================================
Write number: 250
Temperature: 1.200000
Total energy: -962.902866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -962.902866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -962.902866 (E_RNA)
where:
Base-Base interactions energy: -662.089
where: short stacking energy: -285.711
Base-Backbone interact. energy: -2.530
local terms energy: -299.551556
where:
bonds (distance) C4'-P energy: -52.833
bonds (distance) P-C4' energy: -65.770
flat angles C4'-P-C4' energy: -70.079
flat angles P-C4'-P energy: -40.906
tors. eta vs tors. theta energy: -69.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.268 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 250
Temperature: 1.250000
Total energy: -909.655908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -909.655908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -909.655908 (E_RNA)
where:
Base-Base interactions energy: -615.498
where: short stacking energy: -272.933
Base-Backbone interact. energy: -1.568
local terms energy: -292.590332
where:
bonds (distance) C4'-P energy: -56.896
bonds (distance) P-C4' energy: -61.803
flat angles C4'-P-C4' energy: -72.112
flat angles P-C4'-P energy: -24.274
tors. eta vs tors. theta energy: -77.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 250
Temperature: 1.300000
Total energy: -743.717067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -743.717067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -743.717067 (E_RNA)
where:
Base-Base interactions energy: -476.908
where: short stacking energy: -197.670
Base-Backbone interact. energy: 0.986
local terms energy: -267.795447
where:
bonds (distance) C4'-P energy: -65.845
bonds (distance) P-C4' energy: -77.318
flat angles C4'-P-C4' energy: -63.906
flat angles P-C4'-P energy: -36.628
tors. eta vs tors. theta energy: -24.099
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: 10
=====================================
Write number: 250
Temperature: 1.350000
Total energy: -476.734101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.734101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.734101 (E_RNA)
where:
Base-Base interactions energy: -247.012
where: short stacking energy: -126.637
Base-Backbone interact. energy: -0.263
local terms energy: -229.458363
where:
bonds (distance) C4'-P energy: -55.846
bonds (distance) P-C4' energy: -69.379
flat angles C4'-P-C4' energy: -58.560
flat angles P-C4'-P energy: -41.994
tors. eta vs tors. theta energy: -3.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 251
Temperature: 0.900000
Total energy: -1353.720298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1353.720298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1353.720298 (E_RNA)
where:
Base-Base interactions energy: -913.734
where: short stacking energy: -378.479
Base-Backbone interact. energy: -0.582
local terms energy: -439.404943
where:
bonds (distance) C4'-P energy: -85.325
bonds (distance) P-C4' energy: -85.367
flat angles C4'-P-C4' energy: -82.096
flat angles P-C4'-P energy: -67.683
tors. eta vs tors. theta energy: -118.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 251
Temperature: 0.950000
Total energy: -1382.844121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1382.844121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1382.844121 (E_RNA)
where:
Base-Base interactions energy: -971.649
where: short stacking energy: -422.446
Base-Backbone interact. energy: -1.251
local terms energy: -409.944411
where:
bonds (distance) C4'-P energy: -77.410
bonds (distance) P-C4' energy: -77.819
flat angles C4'-P-C4' energy: -79.609
flat angles P-C4'-P energy: -51.954
tors. eta vs tors. theta energy: -123.154
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: 3, replica: 3
=====================================
Write number: 251
Temperature: 1.000000
Total energy: -1276.220316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1276.220316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1276.220316 (E_RNA)
where:
Base-Base interactions energy: -904.238
where: short stacking energy: -388.835
Base-Backbone interact. energy: 0.290
local terms energy: -372.271822
where:
bonds (distance) C4'-P energy: -65.736
bonds (distance) P-C4' energy: -72.386
flat angles C4'-P-C4' energy: -76.789
flat angles P-C4'-P energy: -47.600
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: 6
=====================================
Write number: 251
Temperature: 1.050000
Total energy: -1219.518568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1219.518568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1219.518568 (E_RNA)
where:
Base-Base interactions energy: -850.997
where: short stacking energy: -327.781
Base-Backbone interact. energy: -1.632
local terms energy: -366.889822
where:
bonds (distance) C4'-P energy: -70.754
bonds (distance) P-C4' energy: -76.335
flat angles C4'-P-C4' energy: -86.453
flat angles P-C4'-P energy: -57.154
tors. eta vs tors. theta energy: -76.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 251
Temperature: 1.100000
Total energy: -1146.311568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1146.311568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1146.311568 (E_RNA)
where:
Base-Base interactions energy: -782.768
where: short stacking energy: -350.572
Base-Backbone interact. energy: -0.331
local terms energy: -363.212008
where:
bonds (distance) C4'-P energy: -77.723
bonds (distance) P-C4' energy: -78.757
flat angles C4'-P-C4' energy: -71.671
flat angles P-C4'-P energy: -40.842
tors. eta vs tors. theta energy: -94.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 251
Temperature: 1.150000
Total energy: -1032.733798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1032.733798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1032.733798 (E_RNA)
where:
Base-Base interactions energy: -688.465
where: short stacking energy: -309.339
Base-Backbone interact. energy: 4.910
local terms energy: -349.178591
where:
bonds (distance) C4'-P energy: -67.608
bonds (distance) P-C4' energy: -66.510
flat angles C4'-P-C4' energy: -82.961
flat angles P-C4'-P energy: -50.966
tors. eta vs tors. theta energy: -81.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 251
Temperature: 1.200000
Total energy: -918.453466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -918.453466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -918.453466 (E_RNA)
where:
Base-Base interactions energy: -602.503
where: short stacking energy: -270.487
Base-Backbone interact. energy: 3.074
local terms energy: -319.024407
where:
bonds (distance) C4'-P energy: -68.127
bonds (distance) P-C4' energy: -74.160
flat angles C4'-P-C4' energy: -64.374
flat angles P-C4'-P energy: -52.004
tors. eta vs tors. theta energy: -60.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 251
Temperature: 1.250000
Total energy: -856.036643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -856.036643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -856.036643 (E_RNA)
where:
Base-Base interactions energy: -572.215
where: short stacking energy: -243.715
Base-Backbone interact. energy: -1.276
local terms energy: -282.545956
where:
bonds (distance) C4'-P energy: -67.028
bonds (distance) P-C4' energy: -69.154
flat angles C4'-P-C4' energy: -66.627
flat angles P-C4'-P energy: -28.406
tors. eta vs tors. theta energy: -51.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 251
Temperature: 1.300000
Total energy: -707.143835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -707.143835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -707.143835 (E_RNA)
where:
Base-Base interactions energy: -453.612
where: short stacking energy: -227.712
Base-Backbone interact. energy: 1.558
local terms energy: -255.089488
where:
bonds (distance) C4'-P energy: -63.910
bonds (distance) P-C4' energy: -67.636
flat angles C4'-P-C4' energy: -54.425
flat angles P-C4'-P energy: -30.802
tors. eta vs tors. theta energy: -38.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 251
Temperature: 1.350000
Total energy: -456.644508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.644508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.644508 (E_RNA)
where:
Base-Base interactions energy: -230.356
where: short stacking energy: -151.763
Base-Backbone interact. energy: 2.436
local terms energy: -228.725076
where:
bonds (distance) C4'-P energy: -59.485
bonds (distance) P-C4' energy: -53.835
flat angles C4'-P-C4' energy: -68.475
flat angles P-C4'-P energy: -34.579
tors. eta vs tors. theta energy: -12.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 252
Temperature: 0.900000
Total energy: -1401.438271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1401.438271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1401.438271 (E_RNA)
where:
Base-Base interactions energy: -969.938
where: short stacking energy: -403.332
Base-Backbone interact. energy: -0.622
local terms energy: -430.878282
where:
bonds (distance) C4'-P energy: -82.795
bonds (distance) P-C4' energy: -78.562
flat angles C4'-P-C4' energy: -92.450
flat angles P-C4'-P energy: -55.661
tors. eta vs tors. theta energy: -121.411
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: 2, replica: 8
=====================================
Write number: 252
Temperature: 0.950000
Total energy: -1315.020948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1315.020948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1315.020948 (E_RNA)
where:
Base-Base interactions energy: -905.415
where: short stacking energy: -379.976
Base-Backbone interact. energy: -0.135
local terms energy: -409.470723
where:
bonds (distance) C4'-P energy: -77.542
bonds (distance) P-C4' energy: -74.937
flat angles C4'-P-C4' energy: -80.260
flat angles P-C4'-P energy: -60.598
tors. eta vs tors. theta energy: -116.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 252
Temperature: 1.000000
Total energy: -1290.853244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1290.853244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1290.853244 (E_RNA)
where:
Base-Base interactions energy: -919.234
where: short stacking energy: -397.240
Base-Backbone interact. energy: -2.358
local terms energy: -369.261340
where:
bonds (distance) C4'-P energy: -59.150
bonds (distance) P-C4' energy: -78.815
flat angles C4'-P-C4' energy: -73.819
flat angles P-C4'-P energy: -53.985
tors. eta vs tors. theta energy: -103.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 252
Temperature: 1.050000
Total energy: -1235.166245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1235.166245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1235.166245 (E_RNA)
where:
Base-Base interactions energy: -877.006
where: short stacking energy: -334.088
Base-Backbone interact. energy: 0.041
local terms energy: -358.201198
where:
bonds (distance) C4'-P energy: -80.130
bonds (distance) P-C4' energy: -64.490
flat angles C4'-P-C4' energy: -75.239
flat angles P-C4'-P energy: -50.053
tors. eta vs tors. theta energy: -88.289
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: 5, replica: 9
=====================================
Write number: 252
Temperature: 1.100000
Total energy: -1134.444506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1134.444506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1134.444506 (E_RNA)
where:
Base-Base interactions energy: -775.215
where: short stacking energy: -319.827
Base-Backbone interact. energy: -1.436
local terms energy: -357.793833
where:
bonds (distance) C4'-P energy: -67.125
bonds (distance) P-C4' energy: -82.052
flat angles C4'-P-C4' energy: -77.391
flat angles P-C4'-P energy: -36.340
tors. eta vs tors. theta energy: -94.886
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: 7
=====================================
Write number: 252
Temperature: 1.150000
Total energy: -1053.381292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1053.381292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1053.381292 (E_RNA)
where:
Base-Base interactions energy: -721.789
where: short stacking energy: -354.908
Base-Backbone interact. energy: -0.675
local terms energy: -330.917107
where:
bonds (distance) C4'-P energy: -57.112
bonds (distance) P-C4' energy: -48.027
flat angles C4'-P-C4' energy: -82.397
flat angles P-C4'-P energy: -50.713
tors. eta vs tors. theta energy: -92.668
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: 252
Temperature: 1.200000
Total energy: -968.317398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -968.317398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -968.317398 (E_RNA)
where:
Base-Base interactions energy: -650.896
where: short stacking energy: -293.433
Base-Backbone interact. energy: -0.583
local terms energy: -316.838507
where:
bonds (distance) C4'-P energy: -60.117
bonds (distance) P-C4' energy: -76.171
flat angles C4'-P-C4' energy: -66.974
flat angles P-C4'-P energy: -41.438
tors. eta vs tors. theta energy: -72.140
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: 1
=====================================
Write number: 252
Temperature: 1.250000
Total energy: -828.657625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -828.657625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -828.657625 (E_RNA)
where:
Base-Base interactions energy: -537.273
where: short stacking energy: -246.794
Base-Backbone interact. energy: -1.931
local terms energy: -289.624381
where:
bonds (distance) C4'-P energy: -59.079
bonds (distance) P-C4' energy: -69.467
flat angles C4'-P-C4' energy: -63.848
flat angles P-C4'-P energy: -31.213
tors. eta vs tors. theta energy: -66.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.171 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 252
Temperature: 1.300000
Total energy: -679.868571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -679.868571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -679.868571 (E_RNA)
where:
Base-Base interactions energy: -425.788
where: short stacking energy: -188.404
Base-Backbone interact. energy: -2.888
local terms energy: -251.191801
where:
bonds (distance) C4'-P energy: -64.325
bonds (distance) P-C4' energy: -66.284
flat angles C4'-P-C4' energy: -54.794
flat angles P-C4'-P energy: -37.323
tors. eta vs tors. theta energy: -28.467
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: 10
=====================================
Write number: 252
Temperature: 1.350000
Total energy: -496.898558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.898558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.898558 (E_RNA)
where:
Base-Base interactions energy: -286.085
where: short stacking energy: -165.781
Base-Backbone interact. energy: 1.958
local terms energy: -212.771558
where:
bonds (distance) C4'-P energy: -41.534
bonds (distance) P-C4' energy: -61.893
flat angles C4'-P-C4' energy: -60.811
flat angles P-C4'-P energy: -21.434
tors. eta vs tors. theta energy: -27.099
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: 1, replica: 5
=====================================
Write number: 253
Temperature: 0.900000
Total energy: -1398.546286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1398.546286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1398.546286 (E_RNA)
where:
Base-Base interactions energy: -976.663
where: short stacking energy: -415.968
Base-Backbone interact. energy: 0.159
local terms energy: -422.041995
where:
bonds (distance) C4'-P energy: -70.646
bonds (distance) P-C4' energy: -70.655
flat angles C4'-P-C4' energy: -91.419
flat angles P-C4'-P energy: -62.569
tors. eta vs tors. theta energy: -126.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 253
Temperature: 0.950000
Total energy: -1302.082969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1302.082969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1302.082969 (E_RNA)
where:
Base-Base interactions energy: -908.443
where: short stacking energy: -380.917
Base-Backbone interact. energy: -3.179
local terms energy: -390.460779
where:
bonds (distance) C4'-P energy: -72.827
bonds (distance) P-C4' energy: -77.646
flat angles C4'-P-C4' energy: -83.782
flat angles P-C4'-P energy: -48.298
tors. eta vs tors. theta energy: -107.909
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: 8
=====================================
Write number: 253
Temperature: 1.000000
Total energy: -1291.073780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1291.073780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1291.073780 (E_RNA)
where:
Base-Base interactions energy: -896.694
where: short stacking energy: -387.337
Base-Backbone interact. energy: 0.592
local terms energy: -394.971440
where:
bonds (distance) C4'-P energy: -59.423
bonds (distance) P-C4' energy: -76.659
flat angles C4'-P-C4' energy: -84.170
flat angles P-C4'-P energy: -57.841
tors. eta vs tors. theta energy: -116.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 253
Temperature: 1.050000
Total energy: -1218.122265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1218.122265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1218.122265 (E_RNA)
where:
Base-Base interactions energy: -845.886
where: short stacking energy: -357.377
Base-Backbone interact. energy: -1.992
local terms energy: -370.244308
where:
bonds (distance) C4'-P energy: -74.067
bonds (distance) P-C4' energy: -69.378
flat angles C4'-P-C4' energy: -81.092
flat angles P-C4'-P energy: -50.530
tors. eta vs tors. theta energy: -95.177
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: 9
=====================================
Write number: 253
Temperature: 1.100000
Total energy: -1129.306510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1129.306510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1129.306510 (E_RNA)
where:
Base-Base interactions energy: -766.062
where: short stacking energy: -324.853
Base-Backbone interact. energy: 1.978
local terms energy: -365.222892
where:
bonds (distance) C4'-P energy: -69.447
bonds (distance) P-C4' energy: -69.551
flat angles C4'-P-C4' energy: -80.875
flat angles P-C4'-P energy: -59.877
tors. eta vs tors. theta energy: -85.473
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: 7
=====================================
Write number: 253
Temperature: 1.150000
Total energy: -1082.822429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1082.822429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1082.822429 (E_RNA)
where:
Base-Base interactions energy: -725.444
where: short stacking energy: -331.179
Base-Backbone interact. energy: -0.531
local terms energy: -356.847471
where:
bonds (distance) C4'-P energy: -63.901
bonds (distance) P-C4' energy: -76.313
flat angles C4'-P-C4' energy: -69.764
flat angles P-C4'-P energy: -52.857
tors. eta vs tors. theta energy: -94.013
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: 2
=====================================
Write number: 253
Temperature: 1.200000
Total energy: -946.375172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -946.375172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -946.375172 (E_RNA)
where:
Base-Base interactions energy: -635.081
where: short stacking energy: -273.654
Base-Backbone interact. energy: -1.202
local terms energy: -310.091636
where:
bonds (distance) C4'-P energy: -66.135
bonds (distance) P-C4' energy: -68.267
flat angles C4'-P-C4' energy: -56.743
flat angles P-C4'-P energy: -49.492
tors. eta vs tors. theta energy: -69.455
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: 1
=====================================
Write number: 253
Temperature: 1.250000
Total energy: -848.182319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -848.182319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -848.182319 (E_RNA)
where:
Base-Base interactions energy: -549.059
where: short stacking energy: -250.385
Base-Backbone interact. energy: 1.321
local terms energy: -300.444365
where:
bonds (distance) C4'-P energy: -58.598
bonds (distance) P-C4' energy: -74.071
flat angles C4'-P-C4' energy: -68.331
flat angles P-C4'-P energy: -34.076
tors. eta vs tors. theta energy: -65.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 253
Temperature: 1.300000
Total energy: -640.390742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -640.390742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -640.390742 (E_RNA)
where:
Base-Base interactions energy: -370.977
where: short stacking energy: -176.771
Base-Backbone interact. energy: -0.886
local terms energy: -268.527986
where:
bonds (distance) C4'-P energy: -68.557
bonds (distance) P-C4' energy: -70.343
flat angles C4'-P-C4' energy: -61.331
flat angles P-C4'-P energy: -32.475
tors. eta vs tors. theta energy: -35.822
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: 10, replica: 10
=====================================
Write number: 253
Temperature: 1.350000
Total energy: -451.977862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.977862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.977862 (E_RNA)
where:
Base-Base interactions energy: -218.405
where: short stacking energy: -124.807
Base-Backbone interact. energy: -1.030
local terms energy: -232.542997
where:
bonds (distance) C4'-P energy: -65.270
bonds (distance) P-C4' energy: -64.554
flat angles C4'-P-C4' energy: -60.055
flat angles P-C4'-P energy: -35.778
tors. eta vs tors. theta energy: -6.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 254
Temperature: 0.900000
Total energy: -1424.809205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1424.809205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1424.809205 (E_RNA)
where:
Base-Base interactions energy: -989.354
where: short stacking energy: -422.469
Base-Backbone interact. energy: 1.103
local terms energy: -436.558238
where:
bonds (distance) C4'-P energy: -76.189
bonds (distance) P-C4' energy: -82.664
flat angles C4'-P-C4' energy: -90.404
flat angles P-C4'-P energy: -58.007
tors. eta vs tors. theta energy: -129.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 254
Temperature: 0.950000
Total energy: -1304.869570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1304.869570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1304.869570 (E_RNA)
where:
Base-Base interactions energy: -919.146
where: short stacking energy: -390.537
Base-Backbone interact. energy: 1.944
local terms energy: -387.667452
where:
bonds (distance) C4'-P energy: -69.898
bonds (distance) P-C4' energy: -77.237
flat angles C4'-P-C4' energy: -87.247
flat angles P-C4'-P energy: -46.747
tors. eta vs tors. theta energy: -106.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 254
Temperature: 1.000000
Total energy: -1280.852464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1280.852464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1280.852464 (E_RNA)
where:
Base-Base interactions energy: -896.250
where: short stacking energy: -375.441
Base-Backbone interact. energy: -0.757
local terms energy: -383.844837
where:
bonds (distance) C4'-P energy: -61.461
bonds (distance) P-C4' energy: -81.297
flat angles C4'-P-C4' energy: -78.258
flat angles P-C4'-P energy: -49.222
tors. eta vs tors. theta energy: -113.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 254
Temperature: 1.050000
Total energy: -1233.401860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1233.401860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1233.401860 (E_RNA)
where:
Base-Base interactions energy: -890.171
where: short stacking energy: -353.753
Base-Backbone interact. energy: -1.492
local terms energy: -341.738568
where:
bonds (distance) C4'-P energy: -66.379
bonds (distance) P-C4' energy: -63.367
flat angles C4'-P-C4' energy: -72.020
flat angles P-C4'-P energy: -49.892
tors. eta vs tors. theta energy: -90.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 254
Temperature: 1.100000
Total energy: -1116.489391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1116.489391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1116.489391 (E_RNA)
where:
Base-Base interactions energy: -783.673
where: short stacking energy: -335.998
Base-Backbone interact. energy: -0.717
local terms energy: -332.098726
where:
bonds (distance) C4'-P energy: -63.202
bonds (distance) P-C4' energy: -63.504
flat angles C4'-P-C4' energy: -72.292
flat angles P-C4'-P energy: -46.438
tors. eta vs tors. theta energy: -86.663
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: 7
=====================================
Write number: 254
Temperature: 1.150000
Total energy: -1099.233608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1099.233608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1099.233608 (E_RNA)
where:
Base-Base interactions energy: -729.218
where: short stacking energy: -312.853
Base-Backbone interact. energy: -2.416
local terms energy: -367.599560
where:
bonds (distance) C4'-P energy: -86.028
bonds (distance) P-C4' energy: -67.076
flat angles C4'-P-C4' energy: -79.855
flat angles P-C4'-P energy: -51.730
tors. eta vs tors. theta energy: -82.911
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: 2
=====================================
Write number: 254
Temperature: 1.200000
Total energy: -938.015634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -938.015634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -938.015634 (E_RNA)
where:
Base-Base interactions energy: -615.181
where: short stacking energy: -252.602
Base-Backbone interact. energy: -0.515
local terms energy: -323.621638
where:
bonds (distance) C4'-P energy: -69.305
bonds (distance) P-C4' energy: -75.197
flat angles C4'-P-C4' energy: -73.440
flat angles P-C4'-P energy: -42.591
tors. eta vs tors. theta energy: -63.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.301 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 254
Temperature: 1.250000
Total energy: -821.239094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -821.239094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -821.239094 (E_RNA)
where:
Base-Base interactions energy: -538.130
where: short stacking energy: -246.519
Base-Backbone interact. energy: 0.084
local terms energy: -283.193016
where:
bonds (distance) C4'-P energy: -59.240
bonds (distance) P-C4' energy: -65.477
flat angles C4'-P-C4' energy: -58.193
flat angles P-C4'-P energy: -52.537
tors. eta vs tors. theta energy: -47.746
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: 9, replica: 4
=====================================
Write number: 254
Temperature: 1.300000
Total energy: -657.811514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -657.811514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -657.811514 (E_RNA)
where:
Base-Base interactions energy: -403.964
where: short stacking energy: -191.525
Base-Backbone interact. energy: 4.334
local terms energy: -259.271776
where:
bonds (distance) C4'-P energy: -58.300
bonds (distance) P-C4' energy: -61.838
flat angles C4'-P-C4' energy: -68.239
flat angles P-C4'-P energy: -38.489
tors. eta vs tors. theta energy: -32.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.091 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 254
Temperature: 1.350000
Total energy: -467.531258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.531258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.531258 (E_RNA)
where:
Base-Base interactions energy: -250.516
where: short stacking energy: -137.155
Base-Backbone interact. energy: -0.702
local terms energy: -216.313384
where:
bonds (distance) C4'-P energy: -55.768
bonds (distance) P-C4' energy: -64.286
flat angles C4'-P-C4' energy: -52.093
flat angles P-C4'-P energy: -41.475
tors. eta vs tors. theta energy: -2.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 255
Temperature: 0.900000
Total energy: -1416.813517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1416.813517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1416.813517 (E_RNA)
where:
Base-Base interactions energy: -980.391
where: short stacking energy: -416.857
Base-Backbone interact. energy: 1.789
local terms energy: -438.211039
where:
bonds (distance) C4'-P energy: -81.450
bonds (distance) P-C4' energy: -73.836
flat angles C4'-P-C4' energy: -87.431
flat angles P-C4'-P energy: -69.157
tors. eta vs tors. theta energy: -126.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 255
Temperature: 0.950000
Total energy: -1302.256216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1302.256216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1302.256216 (E_RNA)
where:
Base-Base interactions energy: -901.814
where: short stacking energy: -394.981
Base-Backbone interact. energy: 0.468
local terms energy: -401.019636
where:
bonds (distance) C4'-P energy: -75.173
bonds (distance) P-C4' energy: -80.544
flat angles C4'-P-C4' energy: -90.778
flat angles P-C4'-P energy: -50.132
tors. eta vs tors. theta energy: -104.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.110 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 255
Temperature: 1.000000
Total energy: -1260.079253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1260.079253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1260.079253 (E_RNA)
where:
Base-Base interactions energy: -864.401
where: short stacking energy: -361.772
Base-Backbone interact. energy: -2.980
local terms energy: -392.697546
where:
bonds (distance) C4'-P energy: -76.082
bonds (distance) P-C4' energy: -76.764
flat angles C4'-P-C4' energy: -73.226
flat angles P-C4'-P energy: -55.968
tors. eta vs tors. theta energy: -110.658
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: 6
=====================================
Write number: 255
Temperature: 1.050000
Total energy: -1254.763761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1254.763761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1254.763761 (E_RNA)
where:
Base-Base interactions energy: -907.497
where: short stacking energy: -354.334
Base-Backbone interact. energy: -3.090
local terms energy: -344.176957
where:
bonds (distance) C4'-P energy: -71.425
bonds (distance) P-C4' energy: -74.166
flat angles C4'-P-C4' energy: -66.144
flat angles P-C4'-P energy: -52.584
tors. eta vs tors. theta energy: -79.858
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: 5, replica: 9
=====================================
Write number: 255
Temperature: 1.100000
Total energy: -1131.527048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1131.527048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1131.527048 (E_RNA)
where:
Base-Base interactions energy: -767.740
where: short stacking energy: -322.069
Base-Backbone interact. energy: -0.355
local terms energy: -363.431124
where:
bonds (distance) C4'-P energy: -68.399
bonds (distance) P-C4' energy: -77.989
flat angles C4'-P-C4' energy: -74.361
flat angles P-C4'-P energy: -56.692
tors. eta vs tors. theta energy: -85.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 255
Temperature: 1.150000
Total energy: -1062.328851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1062.328851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1062.328851 (E_RNA)
where:
Base-Base interactions energy: -725.230
where: short stacking energy: -326.160
Base-Backbone interact. energy: -0.725
local terms energy: -336.373778
where:
bonds (distance) C4'-P energy: -52.624
bonds (distance) P-C4' energy: -71.459
flat angles C4'-P-C4' energy: -78.270
flat angles P-C4'-P energy: -40.278
tors. eta vs tors. theta energy: -93.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 255
Temperature: 1.200000
Total energy: -934.678324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -934.678324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -934.678324 (E_RNA)
where:
Base-Base interactions energy: -629.882
where: short stacking energy: -268.559
Base-Backbone interact. energy: -1.470
local terms energy: -303.326361
where:
bonds (distance) C4'-P energy: -62.812
bonds (distance) P-C4' energy: -56.121
flat angles C4'-P-C4' energy: -76.809
flat angles P-C4'-P energy: -44.155
tors. eta vs tors. theta energy: -63.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 255
Temperature: 1.250000
Total energy: -876.102597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -876.102597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -876.102597 (E_RNA)
where:
Base-Base interactions energy: -551.972
where: short stacking energy: -246.360
Base-Backbone interact. energy: -0.843
local terms energy: -323.288436
where:
bonds (distance) C4'-P energy: -62.494
bonds (distance) P-C4' energy: -69.112
flat angles C4'-P-C4' energy: -82.187
flat angles P-C4'-P energy: -43.819
tors. eta vs tors. theta energy: -65.677
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: 4
=====================================
Write number: 255
Temperature: 1.300000
Total energy: -643.751912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -643.751912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -643.751912 (E_RNA)
where:
Base-Base interactions energy: -385.683
where: short stacking energy: -162.426
Base-Backbone interact. energy: -0.627
local terms energy: -258.735515
where:
bonds (distance) C4'-P energy: -57.520
bonds (distance) P-C4' energy: -67.298
flat angles C4'-P-C4' energy: -79.687
flat angles P-C4'-P energy: -31.912
tors. eta vs tors. theta energy: -22.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.294 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 255
Temperature: 1.350000
Total energy: -436.785002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.785002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.785002 (E_RNA)
where:
Base-Base interactions energy: -189.847
where: short stacking energy: -114.775
Base-Backbone interact. energy: -0.996
local terms energy: -245.942366
where:
bonds (distance) C4'-P energy: -74.348
bonds (distance) P-C4' energy: -71.521
flat angles C4'-P-C4' energy: -58.352
flat angles P-C4'-P energy: -37.582
tors. eta vs tors. theta energy: -4.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 256
Temperature: 0.900000
Total energy: -1410.077003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1410.077003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1410.077003 (E_RNA)
where:
Base-Base interactions energy: -996.597
where: short stacking energy: -400.677
Base-Backbone interact. energy: -1.557
local terms energy: -411.923446
where:
bonds (distance) C4'-P energy: -70.337
bonds (distance) P-C4' energy: -75.200
flat angles C4'-P-C4' energy: -88.117
flat angles P-C4'-P energy: -55.214
tors. eta vs tors. theta energy: -123.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 256
Temperature: 0.950000
Total energy: -1297.335515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1297.335515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1297.335515 (E_RNA)
where:
Base-Base interactions energy: -910.006
where: short stacking energy: -386.294
Base-Backbone interact. energy: -0.709
local terms energy: -386.621196
where:
bonds (distance) C4'-P energy: -78.198
bonds (distance) P-C4' energy: -73.034
flat angles C4'-P-C4' energy: -78.671
flat angles P-C4'-P energy: -56.244
tors. eta vs tors. theta energy: -100.474
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: 8
=====================================
Write number: 256
Temperature: 1.000000
Total energy: -1240.587534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1240.587534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1240.587534 (E_RNA)
where:
Base-Base interactions energy: -857.876
where: short stacking energy: -372.064
Base-Backbone interact. energy: -1.640
local terms energy: -381.072178
where:
bonds (distance) C4'-P energy: -76.108
bonds (distance) P-C4' energy: -75.235
flat angles C4'-P-C4' energy: -81.451
flat angles P-C4'-P energy: -43.860
tors. eta vs tors. theta energy: -104.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 256
Temperature: 1.050000
Total energy: -1245.455507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1245.455507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1245.455507 (E_RNA)
where:
Base-Base interactions energy: -887.255
where: short stacking energy: -350.889
Base-Backbone interact. energy: -1.235
local terms energy: -356.964999
where:
bonds (distance) C4'-P energy: -73.777
bonds (distance) P-C4' energy: -71.764
flat angles C4'-P-C4' energy: -73.574
flat angles P-C4'-P energy: -47.295
tors. eta vs tors. theta energy: -90.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 256
Temperature: 1.100000
Total energy: -1129.381563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1129.381563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1129.381563 (E_RNA)
where:
Base-Base interactions energy: -802.535
where: short stacking energy: -329.803
Base-Backbone interact. energy: -1.510
local terms energy: -325.336276
where:
bonds (distance) C4'-P energy: -56.614
bonds (distance) P-C4' energy: -55.957
flat angles C4'-P-C4' energy: -76.793
flat angles P-C4'-P energy: -54.512
tors. eta vs tors. theta energy: -81.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 256
Temperature: 1.150000
Total energy: -1076.736732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1076.736732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1076.736732 (E_RNA)
where:
Base-Base interactions energy: -725.167
where: short stacking energy: -311.727
Base-Backbone interact. energy: -0.066
local terms energy: -351.504147
where:
bonds (distance) C4'-P energy: -70.074
bonds (distance) P-C4' energy: -77.658
flat angles C4'-P-C4' energy: -72.103
flat angles P-C4'-P energy: -50.662
tors. eta vs tors. theta energy: -81.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 256
Temperature: 1.200000
Total energy: -923.287601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -923.287601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -923.287601 (E_RNA)
where:
Base-Base interactions energy: -618.447
where: short stacking energy: -267.937
Base-Backbone interact. energy: -0.528
local terms energy: -304.312620
where:
bonds (distance) C4'-P energy: -59.304
bonds (distance) P-C4' energy: -79.933
flat angles C4'-P-C4' energy: -56.085
flat angles P-C4'-P energy: -52.971
tors. eta vs tors. theta energy: -56.019
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: 1
=====================================
Write number: 256
Temperature: 1.250000
Total energy: -841.983273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -841.983273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -841.983273 (E_RNA)
where:
Base-Base interactions energy: -541.982
where: short stacking energy: -262.411
Base-Backbone interact. energy: -1.626
local terms energy: -298.374664
where:
bonds (distance) C4'-P energy: -68.511
bonds (distance) P-C4' energy: -59.413
flat angles C4'-P-C4' energy: -71.429
flat angles P-C4'-P energy: -43.395
tors. eta vs tors. theta energy: -55.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 256
Temperature: 1.300000
Total energy: -598.338106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -598.338106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -598.338106 (E_RNA)
where:
Base-Base interactions energy: -328.411
where: short stacking energy: -170.104
Base-Backbone interact. energy: -1.470
local terms energy: -268.457355
where:
bonds (distance) C4'-P energy: -72.102
bonds (distance) P-C4' energy: -62.651
flat angles C4'-P-C4' energy: -67.031
flat angles P-C4'-P energy: -40.367
tors. eta vs tors. theta energy: -26.306
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: 10
=====================================
Write number: 256
Temperature: 1.350000
Total energy: -495.292728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.292728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.292728 (E_RNA)
where:
Base-Base interactions energy: -259.768
where: short stacking energy: -135.869
Base-Backbone interact. energy: 0.958
local terms energy: -236.986036
where:
bonds (distance) C4'-P energy: -52.286
bonds (distance) P-C4' energy: -64.469
flat angles C4'-P-C4' energy: -66.969
flat angles P-C4'-P energy: -41.371
tors. eta vs tors. theta energy: -11.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.503 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 257
Temperature: 0.900000
Total energy: -1397.889382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1397.889382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1397.889382 (E_RNA)
where:
Base-Base interactions energy: -979.720
where: short stacking energy: -423.666
Base-Backbone interact. energy: -2.300
local terms energy: -415.869815
where:
bonds (distance) C4'-P energy: -65.878
bonds (distance) P-C4' energy: -69.391
flat angles C4'-P-C4' energy: -90.420
flat angles P-C4'-P energy: -65.663
tors. eta vs tors. theta energy: -124.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 257
Temperature: 0.950000
Total energy: -1282.496047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1282.496047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1282.496047 (E_RNA)
where:
Base-Base interactions energy: -877.030
where: short stacking energy: -399.683
Base-Backbone interact. energy: 0.738
local terms energy: -406.203522
where:
bonds (distance) C4'-P energy: -78.878
bonds (distance) P-C4' energy: -73.412
flat angles C4'-P-C4' energy: -83.826
flat angles P-C4'-P energy: -53.867
tors. eta vs tors. theta energy: -116.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 257
Temperature: 1.000000
Total energy: -1271.101197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1271.101197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1271.101197 (E_RNA)
where:
Base-Base interactions energy: -889.400
where: short stacking energy: -375.294
Base-Backbone interact. energy: -2.479
local terms energy: -379.222372
where:
bonds (distance) C4'-P energy: -66.641
bonds (distance) P-C4' energy: -69.300
flat angles C4'-P-C4' energy: -81.057
flat angles P-C4'-P energy: -54.940
tors. eta vs tors. theta energy: -107.285
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: 6
=====================================
Write number: 257
Temperature: 1.050000
Total energy: -1245.268566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1245.268566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1245.268566 (E_RNA)
where:
Base-Base interactions energy: -895.798
where: short stacking energy: -349.743
Base-Backbone interact. energy: -0.326
local terms energy: -349.144467
where:
bonds (distance) C4'-P energy: -61.966
bonds (distance) P-C4' energy: -82.934
flat angles C4'-P-C4' energy: -73.081
flat angles P-C4'-P energy: -50.122
tors. eta vs tors. theta energy: -81.041
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: 5, replica: 9
=====================================
Write number: 257
Temperature: 1.100000
Total energy: -1129.885041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1129.885041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1129.885041 (E_RNA)
where:
Base-Base interactions energy: -790.630
where: short stacking energy: -325.119
Base-Backbone interact. energy: -0.470
local terms energy: -338.785504
where:
bonds (distance) C4'-P energy: -63.737
bonds (distance) P-C4' energy: -66.191
flat angles C4'-P-C4' energy: -72.952
flat angles P-C4'-P energy: -56.227
tors. eta vs tors. theta energy: -79.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 257
Temperature: 1.150000
Total energy: -1066.884600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1066.884600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1066.884600 (E_RNA)
where:
Base-Base interactions energy: -718.871
where: short stacking energy: -302.137
Base-Backbone interact. energy: 0.655
local terms energy: -348.669077
where:
bonds (distance) C4'-P energy: -58.619
bonds (distance) P-C4' energy: -79.837
flat angles C4'-P-C4' energy: -84.132
flat angles P-C4'-P energy: -43.103
tors. eta vs tors. theta energy: -82.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 257
Temperature: 1.200000
Total energy: -945.566949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -945.566949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -945.566949 (E_RNA)
where:
Base-Base interactions energy: -624.494
where: short stacking energy: -270.399
Base-Backbone interact. energy: 0.359
local terms energy: -321.432033
where:
bonds (distance) C4'-P energy: -71.463
bonds (distance) P-C4' energy: -69.249
flat angles C4'-P-C4' energy: -70.688
flat angles P-C4'-P energy: -46.980
tors. eta vs tors. theta energy: -63.052
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: 257
Temperature: 1.250000
Total energy: -862.268875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -862.268875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -862.268875 (E_RNA)
where:
Base-Base interactions energy: -555.379
where: short stacking energy: -254.437
Base-Backbone interact. energy: 0.843
local terms energy: -307.732685
where:
bonds (distance) C4'-P energy: -74.194
bonds (distance) P-C4' energy: -73.278
flat angles C4'-P-C4' energy: -57.899
flat angles P-C4'-P energy: -48.347
tors. eta vs tors. theta energy: -54.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 257
Temperature: 1.300000
Total energy: -566.659279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -566.659279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -566.659279 (E_RNA)
where:
Base-Base interactions energy: -313.627
where: short stacking energy: -151.908
Base-Backbone interact. energy: -0.585
local terms energy: -252.447218
where:
bonds (distance) C4'-P energy: -54.847
bonds (distance) P-C4' energy: -80.284
flat angles C4'-P-C4' energy: -63.405
flat angles P-C4'-P energy: -42.297
tors. eta vs tors. theta energy: -11.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 257
Temperature: 1.350000
Total energy: -508.673505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.673505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.673505 (E_RNA)
where:
Base-Base interactions energy: -302.324
where: short stacking energy: -159.336
Base-Backbone interact. energy: 2.613
local terms energy: -208.962307
where:
bonds (distance) C4'-P energy: -57.583
bonds (distance) P-C4' energy: -64.040
flat angles C4'-P-C4' energy: -50.405
flat angles P-C4'-P energy: -19.940
tors. eta vs tors. theta energy: -16.995
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: 1, replica: 5
=====================================
Write number: 258
Temperature: 0.900000
Total energy: -1404.021895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1404.021895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1404.021895 (E_RNA)
where:
Base-Base interactions energy: -982.341
where: short stacking energy: -405.224
Base-Backbone interact. energy: 1.713
local terms energy: -423.393901
where:
bonds (distance) C4'-P energy: -74.726
bonds (distance) P-C4' energy: -82.502
flat angles C4'-P-C4' energy: -91.704
flat angles P-C4'-P energy: -58.333
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: 2, replica: 3
=====================================
Write number: 258
Temperature: 0.950000
Total energy: -1286.234125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1286.234125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1286.234125 (E_RNA)
where:
Base-Base interactions energy: -889.181
where: short stacking energy: -390.554
Base-Backbone interact. energy: -1.046
local terms energy: -396.007447
where:
bonds (distance) C4'-P energy: -72.755
bonds (distance) P-C4' energy: -69.011
flat angles C4'-P-C4' energy: -75.942
flat angles P-C4'-P energy: -61.394
tors. eta vs tors. theta energy: -116.906
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: 3, replica: 8
=====================================
Write number: 258
Temperature: 1.000000
Total energy: -1281.254170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1281.254170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1281.254170 (E_RNA)
where:
Base-Base interactions energy: -876.850
where: short stacking energy: -372.845
Base-Backbone interact. energy: -2.113
local terms energy: -402.290891
where:
bonds (distance) C4'-P energy: -67.178
bonds (distance) P-C4' energy: -75.517
flat angles C4'-P-C4' energy: -86.172
flat angles P-C4'-P energy: -63.478
tors. eta vs tors. theta energy: -109.946
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: 6
=====================================
Write number: 258
Temperature: 1.050000
Total energy: -1243.139223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1243.139223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1243.139223 (E_RNA)
where:
Base-Base interactions energy: -890.796
where: short stacking energy: -330.010
Base-Backbone interact. energy: -2.915
local terms energy: -349.428325
where:
bonds (distance) C4'-P energy: -70.805
bonds (distance) P-C4' energy: -67.119
flat angles C4'-P-C4' energy: -79.183
flat angles P-C4'-P energy: -50.650
tors. eta vs tors. theta energy: -81.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 258
Temperature: 1.100000
Total energy: -1125.523130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1125.523130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1125.523130 (E_RNA)
where:
Base-Base interactions energy: -769.777
where: short stacking energy: -341.193
Base-Backbone interact. energy: -1.489
local terms energy: -354.257950
where:
bonds (distance) C4'-P energy: -64.359
bonds (distance) P-C4' energy: -80.708
flat angles C4'-P-C4' energy: -79.725
flat angles P-C4'-P energy: -48.617
tors. eta vs tors. theta energy: -80.849
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: 7
=====================================
Write number: 258
Temperature: 1.150000
Total energy: -1065.505222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1065.505222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1065.505222 (E_RNA)
where:
Base-Base interactions energy: -701.108
where: short stacking energy: -322.962
Base-Backbone interact. energy: -1.299
local terms energy: -363.655219
where:
bonds (distance) C4'-P energy: -73.919
bonds (distance) P-C4' energy: -75.283
flat angles C4'-P-C4' energy: -79.286
flat angles P-C4'-P energy: -44.498
tors. eta vs tors. theta energy: -90.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.557 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 258
Temperature: 1.200000
Total energy: -932.271044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -932.271044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -932.271044 (E_RNA)
where:
Base-Base interactions energy: -613.513
where: short stacking energy: -266.016
Base-Backbone interact. energy: 0.171
local terms energy: -318.928490
where:
bonds (distance) C4'-P energy: -61.957
bonds (distance) P-C4' energy: -81.280
flat angles C4'-P-C4' energy: -68.616
flat angles P-C4'-P energy: -49.125
tors. eta vs tors. theta energy: -57.950
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: 8, replica: 1
=====================================
Write number: 258
Temperature: 1.250000
Total energy: -834.450670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -834.450670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -834.450670 (E_RNA)
where:
Base-Base interactions energy: -547.983
where: short stacking energy: -245.152
Base-Backbone interact. energy: 6.687
local terms energy: -293.154728
where:
bonds (distance) C4'-P energy: -66.263
bonds (distance) P-C4' energy: -59.576
flat angles C4'-P-C4' energy: -76.569
flat angles P-C4'-P energy: -42.864
tors. eta vs tors. theta energy: -47.883
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: 4
=====================================
Write number: 258
Temperature: 1.300000
Total energy: -641.143315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -641.143315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -641.143315 (E_RNA)
where:
Base-Base interactions energy: -392.246
where: short stacking energy: -170.868
Base-Backbone interact. energy: -0.182
local terms energy: -248.715106
where:
bonds (distance) C4'-P energy: -61.215
bonds (distance) P-C4' energy: -59.327
flat angles C4'-P-C4' energy: -63.520
flat angles P-C4'-P energy: -39.802
tors. eta vs tors. theta energy: -24.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 258
Temperature: 1.350000
Total energy: -517.212960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.212960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.212960 (E_RNA)
where:
Base-Base interactions energy: -310.765
where: short stacking energy: -157.235
Base-Backbone interact. energy: -0.650
local terms energy: -205.798172
where:
bonds (distance) C4'-P energy: -42.974
bonds (distance) P-C4' energy: -72.299
flat angles C4'-P-C4' energy: -53.501
flat angles P-C4'-P energy: -28.748
tors. eta vs tors. theta energy: -8.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 259
Temperature: 0.900000
Total energy: -1403.654331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1403.654331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1403.654331 (E_RNA)
where:
Base-Base interactions energy: -981.170
where: short stacking energy: -413.649
Base-Backbone interact. energy: 0.965
local terms energy: -423.449055
where:
bonds (distance) C4'-P energy: -75.425
bonds (distance) P-C4' energy: -77.709
flat angles C4'-P-C4' energy: -83.038
flat angles P-C4'-P energy: -65.300
tors. eta vs tors. theta energy: -121.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 259
Temperature: 0.950000
Total energy: -1292.608000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1292.608000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1292.608000 (E_RNA)
where:
Base-Base interactions energy: -899.565
where: short stacking energy: -388.215
Base-Backbone interact. energy: -0.605
local terms energy: -392.438565
where:
bonds (distance) C4'-P energy: -66.064
bonds (distance) P-C4' energy: -70.536
flat angles C4'-P-C4' energy: -84.289
flat angles P-C4'-P energy: -56.235
tors. eta vs tors. theta energy: -115.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 259
Temperature: 1.000000
Total energy: -1242.189878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1242.189878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1242.189878 (E_RNA)
where:
Base-Base interactions energy: -865.428
where: short stacking energy: -376.962
Base-Backbone interact. energy: -3.066
local terms energy: -373.695491
where:
bonds (distance) C4'-P energy: -64.489
bonds (distance) P-C4' energy: -74.902
flat angles C4'-P-C4' energy: -78.474
flat angles P-C4'-P energy: -51.923
tors. eta vs tors. theta energy: -103.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 259
Temperature: 1.050000
Total energy: -1238.478018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1238.478018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1238.478018 (E_RNA)
where:
Base-Base interactions energy: -877.200
where: short stacking energy: -337.204
Base-Backbone interact. energy: -2.067
local terms energy: -359.210637
where:
bonds (distance) C4'-P energy: -69.912
bonds (distance) P-C4' energy: -70.246
flat angles C4'-P-C4' energy: -77.641
flat angles P-C4'-P energy: -59.453
tors. eta vs tors. theta energy: -81.959
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: 5, replica: 9
=====================================
Write number: 259
Temperature: 1.100000
Total energy: -1138.240712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1138.240712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1138.240712 (E_RNA)
where:
Base-Base interactions energy: -781.449
where: short stacking energy: -338.539
Base-Backbone interact. energy: -2.334
local terms energy: -354.465367
where:
bonds (distance) C4'-P energy: -62.110
bonds (distance) P-C4' energy: -61.539
flat angles C4'-P-C4' energy: -79.230
flat angles P-C4'-P energy: -51.119
tors. eta vs tors. theta energy: -100.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.008 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 259
Temperature: 1.150000
Total energy: -1037.504963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1037.504963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1037.504963 (E_RNA)
where:
Base-Base interactions energy: -688.452
where: short stacking energy: -302.441
Base-Backbone interact. energy: 0.731
local terms energy: -349.784257
where:
bonds (distance) C4'-P energy: -58.712
bonds (distance) P-C4' energy: -66.202
flat angles C4'-P-C4' energy: -75.270
flat angles P-C4'-P energy: -59.685
tors. eta vs tors. theta energy: -89.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 259
Temperature: 1.200000
Total energy: -943.263224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -943.263224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -943.263224 (E_RNA)
where:
Base-Base interactions energy: -640.090
where: short stacking energy: -249.770
Base-Backbone interact. energy: -3.375
local terms energy: -299.797672
where:
bonds (distance) C4'-P energy: -68.957
bonds (distance) P-C4' energy: -59.098
flat angles C4'-P-C4' energy: -63.037
flat angles P-C4'-P energy: -46.706
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: 8, replica: 1
=====================================
Write number: 259
Temperature: 1.250000
Total energy: -811.380887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -811.380887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -811.380887 (E_RNA)
where:
Base-Base interactions energy: -524.546
where: short stacking energy: -231.187
Base-Backbone interact. energy: -0.541
local terms energy: -286.293258
where:
bonds (distance) C4'-P energy: -66.463
bonds (distance) P-C4' energy: -62.386
flat angles C4'-P-C4' energy: -69.572
flat angles P-C4'-P energy: -38.145
tors. eta vs tors. theta energy: -49.726
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: 4
=====================================
Write number: 259
Temperature: 1.300000
Total energy: -642.015129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -642.015129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -642.015129 (E_RNA)
where:
Base-Base interactions energy: -373.731
where: short stacking energy: -164.433
Base-Backbone interact. energy: -1.492
local terms energy: -266.791963
where:
bonds (distance) C4'-P energy: -58.014
bonds (distance) P-C4' energy: -64.911
flat angles C4'-P-C4' energy: -66.171
flat angles P-C4'-P energy: -53.011
tors. eta vs tors. theta energy: -24.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 259
Temperature: 1.350000
Total energy: -486.771138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.771138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.771138 (E_RNA)
where:
Base-Base interactions energy: -243.683
where: short stacking energy: -150.535
Base-Backbone interact. energy: -3.000
local terms energy: -240.088586
where:
bonds (distance) C4'-P energy: -55.687
bonds (distance) P-C4' energy: -66.994
flat angles C4'-P-C4' energy: -70.304
flat angles P-C4'-P energy: -29.635
tors. eta vs tors. theta energy: -17.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 260
Temperature: 0.900000
Total energy: -1400.920345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1400.920345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1400.920345 (E_RNA)
where:
Base-Base interactions energy: -981.837
where: short stacking energy: -413.209
Base-Backbone interact. energy: 6.156
local terms energy: -425.239402
where:
bonds (distance) C4'-P energy: -81.009
bonds (distance) P-C4' energy: -82.696
flat angles C4'-P-C4' energy: -89.857
flat angles P-C4'-P energy: -53.565
tors. eta vs tors. theta energy: -118.113
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: 8
=====================================
Write number: 260
Temperature: 0.950000
Total energy: -1293.243474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1293.243474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1293.243474 (E_RNA)
where:
Base-Base interactions energy: -901.203
where: short stacking energy: -382.610
Base-Backbone interact. energy: -2.404
local terms energy: -389.637282
where:
bonds (distance) C4'-P energy: -79.645
bonds (distance) P-C4' energy: -60.850
flat angles C4'-P-C4' energy: -88.571
flat angles P-C4'-P energy: -46.155
tors. eta vs tors. theta energy: -114.416
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: 6
=====================================
Write number: 260
Temperature: 1.000000
Total energy: -1266.986637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1266.986637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1266.986637 (E_RNA)
where:
Base-Base interactions energy: -900.265
where: short stacking energy: -357.601
Base-Backbone interact. energy: -1.264
local terms energy: -365.458152
where:
bonds (distance) C4'-P energy: -71.558
bonds (distance) P-C4' energy: -69.663
flat angles C4'-P-C4' energy: -81.530
flat angles P-C4'-P energy: -47.540
tors. eta vs tors. theta energy: -95.167
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: 4, replica: 3
=====================================
Write number: 260
Temperature: 1.050000
Total energy: -1224.630934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1224.630934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1224.630934 (E_RNA)
where:
Base-Base interactions energy: -832.166
where: short stacking energy: -376.400
Base-Backbone interact. energy: -1.314
local terms energy: -391.331089
where:
bonds (distance) C4'-P energy: -66.259
bonds (distance) P-C4' energy: -71.704
flat angles C4'-P-C4' energy: -85.588
flat angles P-C4'-P energy: -59.245
tors. eta vs tors. theta energy: -108.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.180 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 260
Temperature: 1.100000
Total energy: -1146.068986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1146.068986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1146.068986 (E_RNA)
where:
Base-Base interactions energy: -781.966
where: short stacking energy: -321.546
Base-Backbone interact. energy: -0.984
local terms energy: -363.118436
where:
bonds (distance) C4'-P energy: -73.328
bonds (distance) P-C4' energy: -77.288
flat angles C4'-P-C4' energy: -81.000
flat angles P-C4'-P energy: -36.363
tors. eta vs tors. theta energy: -95.139
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: 7
=====================================
Write number: 260
Temperature: 1.150000
Total energy: -1070.323003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1070.323003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1070.323003 (E_RNA)
where:
Base-Base interactions energy: -718.036
where: short stacking energy: -318.053
Base-Backbone interact. energy: -1.742
local terms energy: -350.545046
where:
bonds (distance) C4'-P energy: -68.672
bonds (distance) P-C4' energy: -68.950
flat angles C4'-P-C4' energy: -74.336
flat angles P-C4'-P energy: -49.174
tors. eta vs tors. theta energy: -89.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 260
Temperature: 1.200000
Total energy: -937.523765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -937.523765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -937.523765 (E_RNA)
where:
Base-Base interactions energy: -638.464
where: short stacking energy: -265.014
Base-Backbone interact. energy: -0.903
local terms energy: -298.157107
where:
bonds (distance) C4'-P energy: -66.660
bonds (distance) P-C4' energy: -64.874
flat angles C4'-P-C4' energy: -73.016
flat angles P-C4'-P energy: -38.869
tors. eta vs tors. theta energy: -54.737
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: 8, replica: 1
=====================================
Write number: 260
Temperature: 1.250000
Total energy: -787.458905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -787.458905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -787.458905 (E_RNA)
where:
Base-Base interactions energy: -497.003
where: short stacking energy: -231.023
Base-Backbone interact. energy: 0.216
local terms energy: -290.672026
where:
bonds (distance) C4'-P energy: -57.898
bonds (distance) P-C4' energy: -73.158
flat angles C4'-P-C4' energy: -67.908
flat angles P-C4'-P energy: -33.567
tors. eta vs tors. theta energy: -58.141
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: 9, replica: 4
=====================================
Write number: 260
Temperature: 1.300000
Total energy: -645.238246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -645.238246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -645.238246 (E_RNA)
where:
Base-Base interactions energy: -384.048
where: short stacking energy: -168.875
Base-Backbone interact. energy: -1.831
local terms energy: -259.359642
where:
bonds (distance) C4'-P energy: -50.961
bonds (distance) P-C4' energy: -72.111
flat angles C4'-P-C4' energy: -58.525
flat angles P-C4'-P energy: -46.411
tors. eta vs tors. theta energy: -31.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 260
Temperature: 1.350000
Total energy: -476.685566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.685566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.685566 (E_RNA)
where:
Base-Base interactions energy: -261.819
where: short stacking energy: -122.665
Base-Backbone interact. energy: 0.560
local terms energy: -215.427035
where:
bonds (distance) C4'-P energy: -66.358
bonds (distance) P-C4' energy: -65.521
flat angles C4'-P-C4' energy: -59.032
flat angles P-C4'-P energy: -32.151
tors. eta vs tors. theta energy: 7.635
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: 5
=====================================
Write number: 261
Temperature: 0.900000
Total energy: -1411.483136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1411.483136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1411.483136 (E_RNA)
where:
Base-Base interactions energy: -987.419
where: short stacking energy: -413.447
Base-Backbone interact. energy: -1.285
local terms energy: -422.778589
where:
bonds (distance) C4'-P energy: -78.821
bonds (distance) P-C4' energy: -68.313
flat angles C4'-P-C4' energy: -91.663
flat angles P-C4'-P energy: -67.616
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: 2, replica: 6
=====================================
Write number: 261
Temperature: 0.950000
Total energy: -1274.811434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1274.811434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1274.811434 (E_RNA)
where:
Base-Base interactions energy: -913.014
where: short stacking energy: -352.764
Base-Backbone interact. energy: -1.461
local terms energy: -360.336602
where:
bonds (distance) C4'-P energy: -69.005
bonds (distance) P-C4' energy: -77.430
flat angles C4'-P-C4' energy: -82.895
flat angles P-C4'-P energy: -47.733
tors. eta vs tors. theta energy: -83.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 261
Temperature: 1.000000
Total energy: -1262.169382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1262.169382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1262.169382 (E_RNA)
where:
Base-Base interactions energy: -880.347
where: short stacking energy: -367.479
Base-Backbone interact. energy: -2.152
local terms energy: -379.670284
where:
bonds (distance) C4'-P energy: -74.656
bonds (distance) P-C4' energy: -59.890
flat angles C4'-P-C4' energy: -79.209
flat angles P-C4'-P energy: -54.316
tors. eta vs tors. theta energy: -111.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 261
Temperature: 1.050000
Total energy: -1216.042189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1216.042189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1216.042189 (E_RNA)
where:
Base-Base interactions energy: -853.871
where: short stacking energy: -360.202
Base-Backbone interact. energy: 0.576
local terms energy: -362.746601
where:
bonds (distance) C4'-P energy: -61.207
bonds (distance) P-C4' energy: -64.353
flat angles C4'-P-C4' energy: -82.155
flat angles P-C4'-P energy: -53.377
tors. eta vs tors. theta energy: -101.655
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: 9
=====================================
Write number: 261
Temperature: 1.100000
Total energy: -1127.304348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1127.304348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1127.304348 (E_RNA)
where:
Base-Base interactions energy: -786.978
where: short stacking energy: -298.118
Base-Backbone interact. energy: -2.532
local terms energy: -337.794392
where:
bonds (distance) C4'-P energy: -57.613
bonds (distance) P-C4' energy: -69.990
flat angles C4'-P-C4' energy: -80.943
flat angles P-C4'-P energy: -49.269
tors. eta vs tors. theta energy: -79.979
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: 7
=====================================
Write number: 261
Temperature: 1.150000
Total energy: -1109.217077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1109.217077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1109.217077 (E_RNA)
where:
Base-Base interactions energy: -760.573
where: short stacking energy: -340.739
Base-Backbone interact. energy: -1.414
local terms energy: -347.230269
where:
bonds (distance) C4'-P energy: -69.476
bonds (distance) P-C4' energy: -62.857
flat angles C4'-P-C4' energy: -74.398
flat angles P-C4'-P energy: -49.400
tors. eta vs tors. theta energy: -91.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 261
Temperature: 1.200000
Total energy: -931.879396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -931.879396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -931.879396 (E_RNA)
where:
Base-Base interactions energy: -626.987
where: short stacking energy: -254.450
Base-Backbone interact. energy: -5.477
local terms energy: -299.415666
where:
bonds (distance) C4'-P energy: -61.786
bonds (distance) P-C4' energy: -73.772
flat angles C4'-P-C4' energy: -76.023
flat angles P-C4'-P energy: -38.474
tors. eta vs tors. theta energy: -49.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 261
Temperature: 1.250000
Total energy: -807.235921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -807.235921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -807.235921 (E_RNA)
where:
Base-Base interactions energy: -513.481
where: short stacking energy: -220.434
Base-Backbone interact. energy: -0.753
local terms energy: -293.002185
where:
bonds (distance) C4'-P energy: -62.198
bonds (distance) P-C4' energy: -73.115
flat angles C4'-P-C4' energy: -65.072
flat angles P-C4'-P energy: -50.067
tors. eta vs tors. theta energy: -42.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 261
Temperature: 1.300000
Total energy: -616.341895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -616.341895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -616.341895 (E_RNA)
where:
Base-Base interactions energy: -385.647
where: short stacking energy: -189.723
Base-Backbone interact. energy: -2.097
local terms energy: -228.597414
where:
bonds (distance) C4'-P energy: -44.332
bonds (distance) P-C4' energy: -67.639
flat angles C4'-P-C4' energy: -48.124
flat angles P-C4'-P energy: -40.741
tors. eta vs tors. theta energy: -27.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 261
Temperature: 1.350000
Total energy: -503.537284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.537284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.537284 (E_RNA)
where:
Base-Base interactions energy: -305.583
where: short stacking energy: -174.120
Base-Backbone interact. energy: 2.894
local terms energy: -200.847807
where:
bonds (distance) C4'-P energy: -59.870
bonds (distance) P-C4' energy: -58.029
flat angles C4'-P-C4' energy: -48.056
flat angles P-C4'-P energy: -23.687
tors. eta vs tors. theta energy: -11.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 262
Temperature: 0.900000
Total energy: -1414.441767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1414.441767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1414.441767 (E_RNA)
where:
Base-Base interactions energy: -1001.135
where: short stacking energy: -412.769
Base-Backbone interact. energy: -0.698
local terms energy: -412.608741
where:
bonds (distance) C4'-P energy: -63.971
bonds (distance) P-C4' energy: -70.686
flat angles C4'-P-C4' energy: -95.489
flat angles P-C4'-P energy: -61.948
tors. eta vs tors. theta energy: -120.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 262
Temperature: 0.950000
Total energy: -1262.555720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1262.555720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1262.555720 (E_RNA)
where:
Base-Base interactions energy: -874.549
where: short stacking energy: -347.940
Base-Backbone interact. energy: -1.418
local terms energy: -386.919365
where:
bonds (distance) C4'-P energy: -72.434
bonds (distance) P-C4' energy: -87.559
flat angles C4'-P-C4' energy: -75.613
flat angles P-C4'-P energy: -60.052
tors. eta vs tors. theta energy: -91.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.331 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 262
Temperature: 1.000000
Total energy: -1249.088761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1249.088761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1249.088761 (E_RNA)
where:
Base-Base interactions energy: -875.595
where: short stacking energy: -363.954
Base-Backbone interact. energy: -1.932
local terms energy: -371.561529
where:
bonds (distance) C4'-P energy: -67.028
bonds (distance) P-C4' energy: -78.749
flat angles C4'-P-C4' energy: -78.996
flat angles P-C4'-P energy: -45.726
tors. eta vs tors. theta energy: -101.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 262
Temperature: 1.050000
Total energy: -1210.032365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1210.032365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1210.032365 (E_RNA)
where:
Base-Base interactions energy: -837.579
where: short stacking energy: -359.647
Base-Backbone interact. energy: 1.447
local terms energy: -373.899972
where:
bonds (distance) C4'-P energy: -63.057
bonds (distance) P-C4' energy: -81.414
flat angles C4'-P-C4' energy: -81.176
flat angles P-C4'-P energy: -48.382
tors. eta vs tors. theta energy: -99.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 262
Temperature: 1.100000
Total energy: -1139.874847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1139.874847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1139.874847 (E_RNA)
where:
Base-Base interactions energy: -776.272
where: short stacking energy: -331.368
Base-Backbone interact. energy: -0.242
local terms energy: -363.361288
where:
bonds (distance) C4'-P energy: -66.567
bonds (distance) P-C4' energy: -76.498
flat angles C4'-P-C4' energy: -83.783
flat angles P-C4'-P energy: -49.471
tors. eta vs tors. theta energy: -87.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 262
Temperature: 1.150000
Total energy: -1054.553752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1054.553752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1054.553752 (E_RNA)
where:
Base-Base interactions energy: -708.524
where: short stacking energy: -313.486
Base-Backbone interact. energy: -1.149
local terms energy: -344.881398
where:
bonds (distance) C4'-P energy: -74.348
bonds (distance) P-C4' energy: -68.918
flat angles C4'-P-C4' energy: -61.276
flat angles P-C4'-P energy: -46.157
tors. eta vs tors. theta energy: -94.182
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: 2
=====================================
Write number: 262
Temperature: 1.200000
Total energy: -916.507429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -916.507429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -916.507429 (E_RNA)
where:
Base-Base interactions energy: -609.654
where: short stacking energy: -244.221
Base-Backbone interact. energy: -1.454
local terms energy: -305.399800
where:
bonds (distance) C4'-P energy: -60.919
bonds (distance) P-C4' energy: -73.676
flat angles C4'-P-C4' energy: -67.951
flat angles P-C4'-P energy: -51.114
tors. eta vs tors. theta energy: -51.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 262
Temperature: 1.250000
Total energy: -816.089215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -816.089215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -816.089215 (E_RNA)
where:
Base-Base interactions energy: -531.745
where: short stacking energy: -235.281
Base-Backbone interact. energy: 0.308
local terms energy: -284.651991
where:
bonds (distance) C4'-P energy: -78.638
bonds (distance) P-C4' energy: -53.593
flat angles C4'-P-C4' energy: -65.336
flat angles P-C4'-P energy: -28.688
tors. eta vs tors. theta energy: -58.397
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: 4
=====================================
Write number: 262
Temperature: 1.300000
Total energy: -604.374607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -604.374607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -604.374607 (E_RNA)
where:
Base-Base interactions energy: -389.374
where: short stacking energy: -192.633
Base-Backbone interact. energy: 3.138
local terms energy: -218.138383
where:
bonds (distance) C4'-P energy: -53.459
bonds (distance) P-C4' energy: -42.217
flat angles C4'-P-C4' energy: -57.449
flat angles P-C4'-P energy: -36.705
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: 10, replica: 10
=====================================
Write number: 262
Temperature: 1.350000
Total energy: -481.778614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.778614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.778614 (E_RNA)
where:
Base-Base interactions energy: -262.865
where: short stacking energy: -122.195
Base-Backbone interact. energy: -1.764
local terms energy: -217.149964
where:
bonds (distance) C4'-P energy: -58.096
bonds (distance) P-C4' energy: -69.053
flat angles C4'-P-C4' energy: -54.959
flat angles P-C4'-P energy: -32.242
tors. eta vs tors. theta energy: -2.801
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: 5
=====================================
Write number: 263
Temperature: 0.900000
Total energy: -1410.802052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1410.802052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1410.802052 (E_RNA)
where:
Base-Base interactions energy: -991.679
where: short stacking energy: -425.820
Base-Backbone interact. energy: -1.601
local terms energy: -417.521365
where:
bonds (distance) C4'-P energy: -70.151
bonds (distance) P-C4' energy: -76.485
flat angles C4'-P-C4' energy: -91.360
flat angles P-C4'-P energy: -55.220
tors. eta vs tors. theta energy: -124.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 263
Temperature: 0.950000
Total energy: -1292.396075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1292.396075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1292.396075 (E_RNA)
where:
Base-Base interactions energy: -879.735
where: short stacking energy: -383.540
Base-Backbone interact. energy: -3.180
local terms energy: -409.480934
where:
bonds (distance) C4'-P energy: -67.708
bonds (distance) P-C4' energy: -78.417
flat angles C4'-P-C4' energy: -86.998
flat angles P-C4'-P energy: -65.987
tors. eta vs tors. theta energy: -110.371
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: 6
=====================================
Write number: 263
Temperature: 1.000000
Total energy: -1247.340233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1247.340233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1247.340233 (E_RNA)
where:
Base-Base interactions energy: -890.590
where: short stacking energy: -366.159
Base-Backbone interact. energy: -3.447
local terms energy: -353.506114
where:
bonds (distance) C4'-P energy: -73.199
bonds (distance) P-C4' energy: -63.282
flat angles C4'-P-C4' energy: -84.343
flat angles P-C4'-P energy: -49.869
tors. eta vs tors. theta energy: -82.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.203 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 263
Temperature: 1.050000
Total energy: -1223.455460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1223.455460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1223.455460 (E_RNA)
where:
Base-Base interactions energy: -847.575
where: short stacking energy: -366.676
Base-Backbone interact. energy: -1.486
local terms energy: -375.508904
where:
bonds (distance) C4'-P energy: -59.563
bonds (distance) P-C4' energy: -80.551
flat angles C4'-P-C4' energy: -84.102
flat angles P-C4'-P energy: -47.552
tors. eta vs tors. theta energy: -103.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.115 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 263
Temperature: 1.100000
Total energy: -1132.990669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1132.990669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1132.990669 (E_RNA)
where:
Base-Base interactions energy: -787.205
where: short stacking energy: -320.187
Base-Backbone interact. energy: 0.317
local terms energy: -346.102791
where:
bonds (distance) C4'-P energy: -72.916
bonds (distance) P-C4' energy: -74.897
flat angles C4'-P-C4' energy: -72.338
flat angles P-C4'-P energy: -44.074
tors. eta vs tors. theta energy: -81.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 263
Temperature: 1.150000
Total energy: -1047.374865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1047.374865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1047.374865 (E_RNA)
where:
Base-Base interactions energy: -714.247
where: short stacking energy: -305.314
Base-Backbone interact. energy: 2.790
local terms energy: -335.917096
where:
bonds (distance) C4'-P energy: -74.606
bonds (distance) P-C4' energy: -47.911
flat angles C4'-P-C4' energy: -77.089
flat angles P-C4'-P energy: -56.591
tors. eta vs tors. theta energy: -79.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 263
Temperature: 1.200000
Total energy: -941.374607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -941.374607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -941.374607 (E_RNA)
where:
Base-Base interactions energy: -619.281
where: short stacking energy: -273.113
Base-Backbone interact. energy: -0.246
local terms energy: -321.847068
where:
bonds (distance) C4'-P energy: -62.466
bonds (distance) P-C4' energy: -74.881
flat angles C4'-P-C4' energy: -78.626
flat angles P-C4'-P energy: -39.835
tors. eta vs tors. theta energy: -66.038
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: 263
Temperature: 1.250000
Total energy: -860.037691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -860.037691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -860.037691 (E_RNA)
where:
Base-Base interactions energy: -551.159
where: short stacking energy: -232.969
Base-Backbone interact. energy: -1.626
local terms energy: -307.252885
where:
bonds (distance) C4'-P energy: -69.955
bonds (distance) P-C4' energy: -75.273
flat angles C4'-P-C4' energy: -59.286
flat angles P-C4'-P energy: -43.408
tors. eta vs tors. theta energy: -59.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 263
Temperature: 1.300000
Total energy: -605.780176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -605.780176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -605.780176 (E_RNA)
where:
Base-Base interactions energy: -357.917
where: short stacking energy: -163.135
Base-Backbone interact. energy: 0.270
local terms energy: -248.132866
where:
bonds (distance) C4'-P energy: -60.194
bonds (distance) P-C4' energy: -61.653
flat angles C4'-P-C4' energy: -70.109
flat angles P-C4'-P energy: -35.524
tors. eta vs tors. theta energy: -20.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 263
Temperature: 1.350000
Total energy: -516.911051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.911051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.911051 (E_RNA)
where:
Base-Base interactions energy: -308.159
where: short stacking energy: -158.426
Base-Backbone interact. energy: -1.417
local terms energy: -207.334892
where:
bonds (distance) C4'-P energy: -44.882
bonds (distance) P-C4' energy: -62.316
flat angles C4'-P-C4' energy: -58.645
flat angles P-C4'-P energy: -21.707
tors. eta vs tors. theta energy: -19.786
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: 1, replica: 5
=====================================
Write number: 264
Temperature: 0.900000
Total energy: -1395.468465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1395.468465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1395.468465 (E_RNA)
where:
Base-Base interactions energy: -977.053
where: short stacking energy: -411.679
Base-Backbone interact. energy: 0.671
local terms energy: -419.086551
where:
bonds (distance) C4'-P energy: -75.108
bonds (distance) P-C4' energy: -78.263
flat angles C4'-P-C4' energy: -91.727
flat angles P-C4'-P energy: -58.780
tors. eta vs tors. theta energy: -115.209
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: 8
=====================================
Write number: 264
Temperature: 0.950000
Total energy: -1306.968310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1306.968310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1306.968310 (E_RNA)
where:
Base-Base interactions energy: -900.269
where: short stacking energy: -394.842
Base-Backbone interact. energy: 3.085
local terms energy: -409.784404
where:
bonds (distance) C4'-P energy: -72.892
bonds (distance) P-C4' energy: -81.222
flat angles C4'-P-C4' energy: -81.919
flat angles P-C4'-P energy: -55.559
tors. eta vs tors. theta energy: -118.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 264
Temperature: 1.000000
Total energy: -1262.795696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1262.795696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1262.795696 (E_RNA)
where:
Base-Base interactions energy: -895.165
where: short stacking energy: -357.357
Base-Backbone interact. energy: -4.228
local terms energy: -363.402531
where:
bonds (distance) C4'-P energy: -71.080
bonds (distance) P-C4' energy: -75.609
flat angles C4'-P-C4' energy: -85.341
flat angles P-C4'-P energy: -43.696
tors. eta vs tors. theta energy: -87.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 264
Temperature: 1.050000
Total energy: -1229.923079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1229.923079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1229.923079 (E_RNA)
where:
Base-Base interactions energy: -843.892
where: short stacking energy: -373.193
Base-Backbone interact. energy: -1.569
local terms energy: -384.462210
where:
bonds (distance) C4'-P energy: -66.973
bonds (distance) P-C4' energy: -80.063
flat angles C4'-P-C4' energy: -80.237
flat angles P-C4'-P energy: -50.549
tors. eta vs tors. theta energy: -106.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 264
Temperature: 1.100000
Total energy: -1135.081773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1135.081773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1135.081773 (E_RNA)
where:
Base-Base interactions energy: -786.558
where: short stacking energy: -333.772
Base-Backbone interact. energy: -2.640
local terms energy: -345.883857
where:
bonds (distance) C4'-P energy: -57.913
bonds (distance) P-C4' energy: -70.685
flat angles C4'-P-C4' energy: -72.005
flat angles P-C4'-P energy: -55.881
tors. eta vs tors. theta energy: -89.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 264
Temperature: 1.150000
Total energy: -1042.384604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1042.384604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1042.384604 (E_RNA)
where:
Base-Base interactions energy: -711.306
where: short stacking energy: -309.975
Base-Backbone interact. energy: -3.503
local terms energy: -327.576040
where:
bonds (distance) C4'-P energy: -69.252
bonds (distance) P-C4' energy: -56.305
flat angles C4'-P-C4' energy: -76.682
flat angles P-C4'-P energy: -38.172
tors. eta vs tors. theta energy: -87.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 264
Temperature: 1.200000
Total energy: -923.680110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -923.680110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -923.680110 (E_RNA)
where:
Base-Base interactions energy: -638.837
where: short stacking energy: -264.835
Base-Backbone interact. energy: -2.101
local terms energy: -283.273628
where:
bonds (distance) C4'-P energy: -49.828
bonds (distance) P-C4' energy: -77.427
flat angles C4'-P-C4' energy: -58.937
flat angles P-C4'-P energy: -35.449
tors. eta vs tors. theta energy: -61.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.531 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 264
Temperature: 1.250000
Total energy: -826.957637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -826.957637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -826.957637 (E_RNA)
where:
Base-Base interactions energy: -525.118
where: short stacking energy: -227.312
Base-Backbone interact. energy: -1.171
local terms energy: -300.669341
where:
bonds (distance) C4'-P energy: -62.281
bonds (distance) P-C4' energy: -71.263
flat angles C4'-P-C4' energy: -68.496
flat angles P-C4'-P energy: -50.493
tors. eta vs tors. theta energy: -48.136
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: 10
=====================================
Write number: 264
Temperature: 1.300000
Total energy: -616.430543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -616.430543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -616.430543 (E_RNA)
where:
Base-Base interactions energy: -405.423
where: short stacking energy: -195.775
Base-Backbone interact. energy: -1.845
local terms energy: -209.162314
where:
bonds (distance) C4'-P energy: -60.453
bonds (distance) P-C4' energy: -60.608
flat angles C4'-P-C4' energy: -53.558
flat angles P-C4'-P energy: -22.887
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: 10, replica: 4
=====================================
Write number: 264
Temperature: 1.350000
Total energy: -590.884080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -590.884080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -590.884080 (E_RNA)
where:
Base-Base interactions energy: -350.122
where: short stacking energy: -162.247
Base-Backbone interact. energy: -1.024
local terms energy: -239.738108
where:
bonds (distance) C4'-P energy: -56.551
bonds (distance) P-C4' energy: -69.662
flat angles C4'-P-C4' energy: -59.398
flat angles P-C4'-P energy: -30.354
tors. eta vs tors. theta energy: -23.774
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: 1, replica: 5
=====================================
Write number: 265
Temperature: 0.900000
Total energy: -1408.338385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1408.338385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1408.338385 (E_RNA)
where:
Base-Base interactions energy: -986.152
where: short stacking energy: -408.660
Base-Backbone interact. energy: 0.913
local terms energy: -423.099175
where:
bonds (distance) C4'-P energy: -72.462
bonds (distance) P-C4' energy: -85.213
flat angles C4'-P-C4' energy: -87.179
flat angles P-C4'-P energy: -56.815
tors. eta vs tors. theta energy: -121.430
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: 6
=====================================
Write number: 265
Temperature: 0.950000
Total energy: -1284.799567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1284.799567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1284.799567 (E_RNA)
where:
Base-Base interactions energy: -924.079
where: short stacking energy: -355.384
Base-Backbone interact. energy: -3.516
local terms energy: -357.204839
where:
bonds (distance) C4'-P energy: -57.077
bonds (distance) P-C4' energy: -75.656
flat angles C4'-P-C4' energy: -80.503
flat angles P-C4'-P energy: -53.936
tors. eta vs tors. theta energy: -90.032
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: 3, replica: 8
=====================================
Write number: 265
Temperature: 1.000000
Total energy: -1260.146761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1260.146761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1260.146761 (E_RNA)
where:
Base-Base interactions energy: -862.707
where: short stacking energy: -375.040
Base-Backbone interact. energy: -2.104
local terms energy: -395.336241
where:
bonds (distance) C4'-P energy: -72.962
bonds (distance) P-C4' energy: -75.265
flat angles C4'-P-C4' energy: -78.038
flat angles P-C4'-P energy: -50.091
tors. eta vs tors. theta energy: -118.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 265
Temperature: 1.050000
Total energy: -1212.913153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1212.913153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1212.913153 (E_RNA)
where:
Base-Base interactions energy: -836.059
where: short stacking energy: -364.009
Base-Backbone interact. energy: -0.896
local terms energy: -375.958231
where:
bonds (distance) C4'-P energy: -62.231
bonds (distance) P-C4' energy: -68.728
flat angles C4'-P-C4' energy: -83.319
flat angles P-C4'-P energy: -55.358
tors. eta vs tors. theta energy: -106.322
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: 9
=====================================
Write number: 265
Temperature: 1.100000
Total energy: -1139.027352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1139.027352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1139.027352 (E_RNA)
where:
Base-Base interactions energy: -790.226
where: short stacking energy: -322.373
Base-Backbone interact. energy: -1.879
local terms energy: -346.922002
where:
bonds (distance) C4'-P energy: -77.088
bonds (distance) P-C4' energy: -63.035
flat angles C4'-P-C4' energy: -74.099
flat angles P-C4'-P energy: -51.324
tors. eta vs tors. theta energy: -81.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 265
Temperature: 1.150000
Total energy: -1068.517591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1068.517591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1068.517591 (E_RNA)
where:
Base-Base interactions energy: -715.097
where: short stacking energy: -312.514
Base-Backbone interact. energy: -0.427
local terms energy: -352.993677
where:
bonds (distance) C4'-P energy: -64.096
bonds (distance) P-C4' energy: -78.074
flat angles C4'-P-C4' energy: -74.186
flat angles P-C4'-P energy: -47.339
tors. eta vs tors. theta energy: -89.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 265
Temperature: 1.200000
Total energy: -919.890419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -919.890419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -919.890419 (E_RNA)
where:
Base-Base interactions energy: -612.336
where: short stacking energy: -258.038
Base-Backbone interact. energy: -1.213
local terms energy: -306.341679
where:
bonds (distance) C4'-P energy: -62.085
bonds (distance) P-C4' energy: -77.316
flat angles C4'-P-C4' energy: -69.521
flat angles P-C4'-P energy: -37.707
tors. eta vs tors. theta energy: -59.713
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: 265
Temperature: 1.250000
Total energy: -822.151501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -822.151501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -822.151501 (E_RNA)
where:
Base-Base interactions energy: -538.439
where: short stacking energy: -240.173
Base-Backbone interact. energy: -0.558
local terms energy: -283.154184
where:
bonds (distance) C4'-P energy: -60.621
bonds (distance) P-C4' energy: -71.860
flat angles C4'-P-C4' energy: -70.519
flat angles P-C4'-P energy: -35.704
tors. eta vs tors. theta energy: -44.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 265
Temperature: 1.300000
Total energy: -589.899282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -589.899282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -589.899282 (E_RNA)
where:
Base-Base interactions energy: -370.205
where: short stacking energy: -199.251
Base-Backbone interact. energy: 0.593
local terms energy: -220.287041
where:
bonds (distance) C4'-P energy: -56.099
bonds (distance) P-C4' energy: -52.350
flat angles C4'-P-C4' energy: -47.442
flat angles P-C4'-P energy: -34.159
tors. eta vs tors. theta energy: -30.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 265
Temperature: 1.350000
Total energy: -500.663610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.663610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.663610 (E_RNA)
where:
Base-Base interactions energy: -269.119
where: short stacking energy: -160.803
Base-Backbone interact. energy: 0.529
local terms energy: -232.073230
where:
bonds (distance) C4'-P energy: -54.892
bonds (distance) P-C4' energy: -49.079
flat angles C4'-P-C4' energy: -60.294
flat angles P-C4'-P energy: -49.594
tors. eta vs tors. theta energy: -18.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 266
Temperature: 0.900000
Total energy: -1409.156246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1409.156246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1409.156246 (E_RNA)
where:
Base-Base interactions energy: -987.879
where: short stacking energy: -422.101
Base-Backbone interact. energy: -1.792
local terms energy: -419.485026
where:
bonds (distance) C4'-P energy: -72.379
bonds (distance) P-C4' energy: -77.583
flat angles C4'-P-C4' energy: -88.649
flat angles P-C4'-P energy: -61.213
tors. eta vs tors. theta energy: -119.661
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: 6
=====================================
Write number: 266
Temperature: 0.950000
Total energy: -1302.539152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1302.539152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1302.539152 (E_RNA)
where:
Base-Base interactions energy: -916.861
where: short stacking energy: -374.470
Base-Backbone interact. energy: -3.283
local terms energy: -382.395568
where:
bonds (distance) C4'-P energy: -72.150
bonds (distance) P-C4' energy: -77.014
flat angles C4'-P-C4' energy: -84.423
flat angles P-C4'-P energy: -52.648
tors. eta vs tors. theta energy: -96.161
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: 8
=====================================
Write number: 266
Temperature: 1.000000
Total energy: -1281.012399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1281.012399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1281.012399 (E_RNA)
where:
Base-Base interactions energy: -895.225
where: short stacking energy: -357.268
Base-Backbone interact. energy: -1.301
local terms energy: -384.486758
where:
bonds (distance) C4'-P energy: -71.687
bonds (distance) P-C4' energy: -63.847
flat angles C4'-P-C4' energy: -85.932
flat angles P-C4'-P energy: -57.911
tors. eta vs tors. theta energy: -105.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 266
Temperature: 1.050000
Total energy: -1213.738420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1213.738420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1213.738420 (E_RNA)
where:
Base-Base interactions energy: -857.415
where: short stacking energy: -383.750
Base-Backbone interact. energy: -1.494
local terms energy: -354.828921
where:
bonds (distance) C4'-P energy: -75.816
bonds (distance) P-C4' energy: -60.472
flat angles C4'-P-C4' energy: -73.641
flat angles P-C4'-P energy: -41.656
tors. eta vs tors. theta energy: -103.244
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: 266
Temperature: 1.100000
Total energy: -1133.940334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1133.940334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1133.940334 (E_RNA)
where:
Base-Base interactions energy: -788.367
where: short stacking energy: -336.882
Base-Backbone interact. energy: -3.687
local terms energy: -342.046540
where:
bonds (distance) C4'-P energy: -61.594
bonds (distance) P-C4' energy: -68.835
flat angles C4'-P-C4' energy: -71.639
flat angles P-C4'-P energy: -45.314
tors. eta vs tors. theta energy: -94.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.160 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 266
Temperature: 1.150000
Total energy: -1098.975731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1098.975731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1098.975731 (E_RNA)
where:
Base-Base interactions energy: -765.046
where: short stacking energy: -337.171
Base-Backbone interact. energy: -0.665
local terms energy: -333.264827
where:
bonds (distance) C4'-P energy: -62.149
bonds (distance) P-C4' energy: -51.318
flat angles C4'-P-C4' energy: -87.612
flat angles P-C4'-P energy: -32.176
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: 7, replica: 2
=====================================
Write number: 266
Temperature: 1.200000
Total energy: -902.276839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -902.276839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -902.276839 (E_RNA)
where:
Base-Base interactions energy: -607.040
where: short stacking energy: -270.084
Base-Backbone interact. energy: -0.180
local terms energy: -295.057130
where:
bonds (distance) C4'-P energy: -46.391
bonds (distance) P-C4' energy: -65.021
flat angles C4'-P-C4' energy: -68.385
flat angles P-C4'-P energy: -45.807
tors. eta vs tors. theta energy: -69.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 266
Temperature: 1.250000
Total energy: -864.080411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -864.080411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -864.080411 (E_RNA)
where:
Base-Base interactions energy: -589.934
where: short stacking energy: -251.061
Base-Backbone interact. energy: -2.442
local terms energy: -271.704090
where:
bonds (distance) C4'-P energy: -58.479
bonds (distance) P-C4' energy: -63.638
flat angles C4'-P-C4' energy: -55.444
flat angles P-C4'-P energy: -37.420
tors. eta vs tors. theta energy: -56.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 266
Temperature: 1.300000
Total energy: -592.271963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -592.271963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -592.271963 (E_RNA)
where:
Base-Base interactions energy: -345.626
where: short stacking energy: -175.489
Base-Backbone interact. energy: 2.606
local terms energy: -249.251571
where:
bonds (distance) C4'-P energy: -59.177
bonds (distance) P-C4' energy: -69.312
flat angles C4'-P-C4' energy: -63.948
flat angles P-C4'-P energy: -35.779
tors. eta vs tors. theta energy: -21.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 266
Temperature: 1.350000
Total energy: -528.207079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.207079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.207079 (E_RNA)
where:
Base-Base interactions energy: -288.810
where: short stacking energy: -134.956
Base-Backbone interact. energy: 0.100
local terms energy: -239.497379
where:
bonds (distance) C4'-P energy: -57.930
bonds (distance) P-C4' energy: -79.034
flat angles C4'-P-C4' energy: -51.742
flat angles P-C4'-P energy: -33.723
tors. eta vs tors. theta energy: -17.069
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: 5
=====================================
Write number: 267
Temperature: 0.900000
Total energy: -1415.067018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1415.067018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1415.067018 (E_RNA)
where:
Base-Base interactions energy: -985.529
where: short stacking energy: -433.200
Base-Backbone interact. energy: -0.838
local terms energy: -428.699172
where:
bonds (distance) C4'-P energy: -71.598
bonds (distance) P-C4' energy: -82.881
flat angles C4'-P-C4' energy: -87.414
flat angles P-C4'-P energy: -60.500
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: 8
=====================================
Write number: 267
Temperature: 0.950000
Total energy: -1300.795764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1300.795764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1300.795764 (E_RNA)
where:
Base-Base interactions energy: -901.768
where: short stacking energy: -369.931
Base-Backbone interact. energy: -0.917
local terms energy: -398.110569
where:
bonds (distance) C4'-P energy: -72.978
bonds (distance) P-C4' energy: -74.231
flat angles C4'-P-C4' energy: -97.645
flat angles P-C4'-P energy: -47.233
tors. eta vs tors. theta energy: -106.023
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: 6
=====================================
Write number: 267
Temperature: 1.000000
Total energy: -1279.576004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1279.576004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1279.576004 (E_RNA)
where:
Base-Base interactions energy: -910.303
where: short stacking energy: -368.991
Base-Backbone interact. energy: -2.381
local terms energy: -366.891475
where:
bonds (distance) C4'-P energy: -67.098
bonds (distance) P-C4' energy: -78.009
flat angles C4'-P-C4' energy: -77.811
flat angles P-C4'-P energy: -48.237
tors. eta vs tors. theta energy: -95.737
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: 3
=====================================
Write number: 267
Temperature: 1.050000
Total energy: -1201.263926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1201.263926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1201.263926 (E_RNA)
where:
Base-Base interactions energy: -828.516
where: short stacking energy: -348.499
Base-Backbone interact. energy: 1.028
local terms energy: -374.269657
where:
bonds (distance) C4'-P energy: -71.825
bonds (distance) P-C4' energy: -63.472
flat angles C4'-P-C4' energy: -84.117
flat angles P-C4'-P energy: -60.338
tors. eta vs tors. theta energy: -94.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.495 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 267
Temperature: 1.100000
Total energy: -1131.666669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1131.666669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1131.666669 (E_RNA)
where:
Base-Base interactions energy: -798.023
where: short stacking energy: -328.257
Base-Backbone interact. energy: -2.719
local terms energy: -330.925537
where:
bonds (distance) C4'-P energy: -63.516
bonds (distance) P-C4' energy: -69.901
flat angles C4'-P-C4' energy: -65.378
flat angles P-C4'-P energy: -49.162
tors. eta vs tors. theta energy: -82.968
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: 6, replica: 7
=====================================
Write number: 267
Temperature: 1.150000
Total energy: -1083.936607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1083.936607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1083.936607 (E_RNA)
where:
Base-Base interactions energy: -742.300
where: short stacking energy: -313.024
Base-Backbone interact. energy: -1.802
local terms energy: -340.009566
where:
bonds (distance) C4'-P energy: -65.591
bonds (distance) P-C4' energy: -68.315
flat angles C4'-P-C4' energy: -75.996
flat angles P-C4'-P energy: -49.477
tors. eta vs tors. theta energy: -80.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.175 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 267
Temperature: 1.200000
Total energy: -893.214480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -893.214480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -893.214480 (E_RNA)
where:
Base-Base interactions energy: -607.736
where: short stacking energy: -236.138
Base-Backbone interact. energy: -2.856
local terms energy: -282.771920
where:
bonds (distance) C4'-P energy: -63.183
bonds (distance) P-C4' energy: -70.626
flat angles C4'-P-C4' energy: -65.877
flat angles P-C4'-P energy: -40.180
tors. eta vs tors. theta energy: -42.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.149 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 267
Temperature: 1.250000
Total energy: -881.961341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -881.961341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -881.961341 (E_RNA)
where:
Base-Base interactions energy: -557.318
where: short stacking energy: -249.818
Base-Backbone interact. energy: -0.324
local terms energy: -324.318675
where:
bonds (distance) C4'-P energy: -77.753
bonds (distance) P-C4' energy: -76.050
flat angles C4'-P-C4' energy: -66.946
flat angles P-C4'-P energy: -44.729
tors. eta vs tors. theta energy: -58.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 267
Temperature: 1.300000
Total energy: -597.367196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -597.367196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -597.367196 (E_RNA)
where:
Base-Base interactions energy: -364.346
where: short stacking energy: -165.270
Base-Backbone interact. energy: -1.296
local terms energy: -231.725377
where:
bonds (distance) C4'-P energy: -50.099
bonds (distance) P-C4' energy: -61.107
flat angles C4'-P-C4' energy: -61.990
flat angles P-C4'-P energy: -39.207
tors. eta vs tors. theta energy: -19.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 267
Temperature: 1.350000
Total energy: -493.079107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.079107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.079107 (E_RNA)
where:
Base-Base interactions energy: -269.363
where: short stacking energy: -121.562
Base-Backbone interact. energy: -1.337
local terms energy: -222.379154
where:
bonds (distance) C4'-P energy: -61.762
bonds (distance) P-C4' energy: -61.466
flat angles C4'-P-C4' energy: -52.604
flat angles P-C4'-P energy: -33.165
tors. eta vs tors. theta energy: -13.383
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: 5
=====================================
Write number: 268
Temperature: 0.900000
Total energy: -1418.591604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1418.591604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1418.591604 (E_RNA)
where:
Base-Base interactions energy: -991.392
where: short stacking energy: -407.029
Base-Backbone interact. energy: -1.706
local terms energy: -425.494288
where:
bonds (distance) C4'-P energy: -79.208
bonds (distance) P-C4' energy: -78.057
flat angles C4'-P-C4' energy: -89.818
flat angles P-C4'-P energy: -61.190
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: 2, replica: 8
=====================================
Write number: 268
Temperature: 0.950000
Total energy: -1288.046337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1288.046337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1288.046337 (E_RNA)
where:
Base-Base interactions energy: -901.611
where: short stacking energy: -393.617
Base-Backbone interact. energy: -1.336
local terms energy: -385.099461
where:
bonds (distance) C4'-P energy: -72.478
bonds (distance) P-C4' energy: -72.048
flat angles C4'-P-C4' energy: -80.397
flat angles P-C4'-P energy: -55.026
tors. eta vs tors. theta energy: -105.150
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: 3, replica: 6
=====================================
Write number: 268
Temperature: 1.000000
Total energy: -1262.820406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1262.820406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1262.820406 (E_RNA)
where:
Base-Base interactions energy: -893.705
where: short stacking energy: -358.312
Base-Backbone interact. energy: 1.359
local terms energy: -370.473508
where:
bonds (distance) C4'-P energy: -73.365
bonds (distance) P-C4' energy: -74.792
flat angles C4'-P-C4' energy: -82.402
flat angles P-C4'-P energy: -47.785
tors. eta vs tors. theta energy: -92.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 268
Temperature: 1.050000
Total energy: -1203.745185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1203.745185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1203.745185 (E_RNA)
where:
Base-Base interactions energy: -836.128
where: short stacking energy: -355.753
Base-Backbone interact. energy: 1.724
local terms energy: -369.358364
where:
bonds (distance) C4'-P energy: -72.126
bonds (distance) P-C4' energy: -72.163
flat angles C4'-P-C4' energy: -76.647
flat angles P-C4'-P energy: -54.193
tors. eta vs tors. theta energy: -94.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.017 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 268
Temperature: 1.100000
Total energy: -1150.428366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1150.428366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1150.428366 (E_RNA)
where:
Base-Base interactions energy: -782.468
where: short stacking energy: -331.708
Base-Backbone interact. energy: -1.526
local terms energy: -366.434992
where:
bonds (distance) C4'-P energy: -66.855
bonds (distance) P-C4' energy: -72.772
flat angles C4'-P-C4' energy: -76.356
flat angles P-C4'-P energy: -58.132
tors. eta vs tors. theta energy: -92.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 268
Temperature: 1.150000
Total energy: -1150.836778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1150.836778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1150.836778 (E_RNA)
where:
Base-Base interactions energy: -771.152
where: short stacking energy: -342.600
Base-Backbone interact. energy: -0.586
local terms energy: -379.098963
where:
bonds (distance) C4'-P energy: -72.288
bonds (distance) P-C4' energy: -68.032
flat angles C4'-P-C4' energy: -90.204
flat angles P-C4'-P energy: -59.296
tors. eta vs tors. theta energy: -89.280
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: 2
=====================================
Write number: 268
Temperature: 1.200000
Total energy: -891.397683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -891.397683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -891.397683 (E_RNA)
where:
Base-Base interactions energy: -591.707
where: short stacking energy: -244.508
Base-Backbone interact. energy: -1.768
local terms energy: -297.921950
where:
bonds (distance) C4'-P energy: -67.120
bonds (distance) P-C4' energy: -64.908
flat angles C4'-P-C4' energy: -61.306
flat angles P-C4'-P energy: -42.641
tors. eta vs tors. theta energy: -61.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 268
Temperature: 1.250000
Total energy: -927.032314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -927.032314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -927.032314 (E_RNA)
where:
Base-Base interactions energy: -621.161
where: short stacking energy: -277.261
Base-Backbone interact. energy: -0.495
local terms energy: -305.376202
where:
bonds (distance) C4'-P energy: -43.698
bonds (distance) P-C4' energy: -72.979
flat angles C4'-P-C4' energy: -68.906
flat angles P-C4'-P energy: -47.818
tors. eta vs tors. theta energy: -71.976
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: 9, replica: 10
=====================================
Write number: 268
Temperature: 1.300000
Total energy: -591.994975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -591.994975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -591.994975 (E_RNA)
where:
Base-Base interactions energy: -351.067
where: short stacking energy: -172.942
Base-Backbone interact. energy: 0.501
local terms energy: -241.429274
where:
bonds (distance) C4'-P energy: -62.481
bonds (distance) P-C4' energy: -64.339
flat angles C4'-P-C4' energy: -71.899
flat angles P-C4'-P energy: -28.000
tors. eta vs tors. theta energy: -14.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 268
Temperature: 1.350000
Total energy: -491.434854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.434854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.434854 (E_RNA)
where:
Base-Base interactions energy: -271.604
where: short stacking energy: -171.994
Base-Backbone interact. energy: 1.201
local terms energy: -221.032472
where:
bonds (distance) C4'-P energy: -56.973
bonds (distance) P-C4' energy: -66.488
flat angles C4'-P-C4' energy: -47.016
flat angles P-C4'-P energy: -32.723
tors. eta vs tors. theta energy: -17.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 269
Temperature: 0.900000
Total energy: -1411.468880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1411.468880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1411.468880 (E_RNA)
where:
Base-Base interactions energy: -991.345
where: short stacking energy: -410.757
Base-Backbone interact. energy: -2.039
local terms energy: -418.084892
where:
bonds (distance) C4'-P energy: -78.373
bonds (distance) P-C4' energy: -72.956
flat angles C4'-P-C4' energy: -92.317
flat angles P-C4'-P energy: -53.213
tors. eta vs tors. theta energy: -121.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 269
Temperature: 0.950000
Total energy: -1275.557571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1275.557571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1275.557571 (E_RNA)
where:
Base-Base interactions energy: -865.114
where: short stacking energy: -372.038
Base-Backbone interact. energy: -4.156
local terms energy: -406.288116
where:
bonds (distance) C4'-P energy: -75.724
bonds (distance) P-C4' energy: -78.761
flat angles C4'-P-C4' energy: -83.205
flat angles P-C4'-P energy: -56.865
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: 6
=====================================
Write number: 269
Temperature: 1.000000
Total energy: -1281.967887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1281.967887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1281.967887 (E_RNA)
where:
Base-Base interactions energy: -896.635
where: short stacking energy: -352.513
Base-Backbone interact. energy: 2.631
local terms energy: -388.207868
where:
bonds (distance) C4'-P energy: -81.851
bonds (distance) P-C4' energy: -72.303
flat angles C4'-P-C4' energy: -88.900
flat angles P-C4'-P energy: -52.334
tors. eta vs tors. theta energy: -92.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.244 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 269
Temperature: 1.050000
Total energy: -1215.634493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1215.634493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1215.634493 (E_RNA)
where:
Base-Base interactions energy: -848.798
where: short stacking energy: -368.007
Base-Backbone interact. energy: -1.549
local terms energy: -367.140296
where:
bonds (distance) C4'-P energy: -70.695
bonds (distance) P-C4' energy: -65.465
flat angles C4'-P-C4' energy: -84.541
flat angles P-C4'-P energy: -51.214
tors. eta vs tors. theta energy: -95.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.853 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 269
Temperature: 1.100000
Total energy: -1136.291095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1136.291095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1136.291095 (E_RNA)
where:
Base-Base interactions energy: -776.824
where: short stacking energy: -339.923
Base-Backbone interact. energy: -1.430
local terms energy: -358.037823
where:
bonds (distance) C4'-P energy: -67.545
bonds (distance) P-C4' energy: -68.319
flat angles C4'-P-C4' energy: -81.038
flat angles P-C4'-P energy: -46.804
tors. eta vs tors. theta energy: -94.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 269
Temperature: 1.150000
Total energy: -1062.333521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1062.333521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1062.333521 (E_RNA)
where:
Base-Base interactions energy: -697.518
where: short stacking energy: -310.668
Base-Backbone interact. energy: -3.297
local terms energy: -361.518581
where:
bonds (distance) C4'-P energy: -68.943
bonds (distance) P-C4' energy: -78.304
flat angles C4'-P-C4' energy: -69.407
flat angles P-C4'-P energy: -53.113
tors. eta vs tors. theta energy: -91.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 269
Temperature: 1.200000
Total energy: -867.185011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -867.185011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -867.185011 (E_RNA)
where:
Base-Base interactions energy: -573.017
where: short stacking energy: -240.322
Base-Backbone interact. energy: -4.332
local terms energy: -289.835983
where:
bonds (distance) C4'-P energy: -74.257
bonds (distance) P-C4' energy: -63.070
flat angles C4'-P-C4' energy: -56.100
flat angles P-C4'-P energy: -37.410
tors. eta vs tors. theta energy: -58.999
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: 269
Temperature: 1.250000
Total energy: -883.954970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -883.954970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -883.954970 (E_RNA)
where:
Base-Base interactions energy: -584.554
where: short stacking energy: -284.378
Base-Backbone interact. energy: -2.581
local terms energy: -296.820775
where:
bonds (distance) C4'-P energy: -63.437
bonds (distance) P-C4' energy: -50.269
flat angles C4'-P-C4' energy: -69.274
flat angles P-C4'-P energy: -45.541
tors. eta vs tors. theta energy: -68.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 269
Temperature: 1.300000
Total energy: -605.112884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -605.112884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -605.112884 (E_RNA)
where:
Base-Base interactions energy: -384.763
where: short stacking energy: -165.955
Base-Backbone interact. energy: -0.716
local terms energy: -219.640184
where:
bonds (distance) C4'-P energy: -66.115
bonds (distance) P-C4' energy: -78.107
flat angles C4'-P-C4' energy: -30.387
flat angles P-C4'-P energy: -36.370
tors. eta vs tors. theta energy: -8.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.006 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 269
Temperature: 1.350000
Total energy: -490.722501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.722501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.722501 (E_RNA)
where:
Base-Base interactions energy: -262.375
where: short stacking energy: -147.750
Base-Backbone interact. energy: -1.144
local terms energy: -227.204167
where:
bonds (distance) C4'-P energy: -46.677
bonds (distance) P-C4' energy: -71.190
flat angles C4'-P-C4' energy: -59.880
flat angles P-C4'-P energy: -34.952
tors. eta vs tors. theta energy: -14.505
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: 1, replica: 5
=====================================
Write number: 270
Temperature: 0.900000
Total energy: -1417.826718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1417.826718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1417.826718 (E_RNA)
where:
Base-Base interactions energy: -1004.040
where: short stacking energy: -426.954
Base-Backbone interact. energy: -3.103
local terms energy: -410.684337
where:
bonds (distance) C4'-P energy: -76.184
bonds (distance) P-C4' energy: -72.585
flat angles C4'-P-C4' energy: -90.277
flat angles P-C4'-P energy: -52.115
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: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 270
Temperature: 0.950000
Total energy: -1275.913618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1275.913618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1275.913618 (E_RNA)
where:
Base-Base interactions energy: -887.931
where: short stacking energy: -377.427
Base-Backbone interact. energy: -1.759
local terms energy: -386.222950
where:
bonds (distance) C4'-P energy: -74.435
bonds (distance) P-C4' energy: -73.696
flat angles C4'-P-C4' energy: -80.781
flat angles P-C4'-P energy: -52.762
tors. eta vs tors. theta energy: -104.549
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: 6
=====================================
Write number: 270
Temperature: 1.000000
Total energy: -1289.005204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1289.005204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1289.005204 (E_RNA)
where:
Base-Base interactions energy: -912.380
where: short stacking energy: -354.206
Base-Backbone interact. energy: -2.310
local terms energy: -374.315125
where:
bonds (distance) C4'-P energy: -80.204
bonds (distance) P-C4' energy: -71.718
flat angles C4'-P-C4' energy: -73.698
flat angles P-C4'-P energy: -50.918
tors. eta vs tors. theta energy: -97.776
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: 270
Temperature: 1.050000
Total energy: -1241.477982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1241.477982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1241.477982 (E_RNA)
where:
Base-Base interactions energy: -860.092
where: short stacking energy: -359.604
Base-Backbone interact. energy: -2.877
local terms energy: -378.509345
where:
bonds (distance) C4'-P energy: -76.830
bonds (distance) P-C4' energy: -66.886
flat angles C4'-P-C4' energy: -78.383
flat angles P-C4'-P energy: -53.980
tors. eta vs tors. theta energy: -102.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 270
Temperature: 1.100000
Total energy: -1140.222381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1140.222381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1140.222381 (E_RNA)
where:
Base-Base interactions energy: -781.243
where: short stacking energy: -344.706
Base-Backbone interact. energy: -1.390
local terms energy: -357.589814
where:
bonds (distance) C4'-P energy: -67.863
bonds (distance) P-C4' energy: -76.481
flat angles C4'-P-C4' energy: -73.245
flat angles P-C4'-P energy: -48.895
tors. eta vs tors. theta energy: -91.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 270
Temperature: 1.150000
Total energy: -1084.471826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1084.471826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1084.471826 (E_RNA)
where:
Base-Base interactions energy: -732.234
where: short stacking energy: -310.136
Base-Backbone interact. energy: -0.926
local terms energy: -351.527380
where:
bonds (distance) C4'-P energy: -65.417
bonds (distance) P-C4' energy: -72.089
flat angles C4'-P-C4' energy: -67.120
flat angles P-C4'-P energy: -50.550
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: 0.215 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 270
Temperature: 1.200000
Total energy: -946.372747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -946.372747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -946.372747 (E_RNA)
where:
Base-Base interactions energy: -636.813
where: short stacking energy: -283.674
Base-Backbone interact. energy: -1.377
local terms energy: -308.182624
where:
bonds (distance) C4'-P energy: -61.618
bonds (distance) P-C4' energy: -62.558
flat angles C4'-P-C4' energy: -74.275
flat angles P-C4'-P energy: -37.889
tors. eta vs tors. theta energy: -71.843
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: 1
=====================================
Write number: 270
Temperature: 1.250000
Total energy: -876.716141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -876.716141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -876.716141 (E_RNA)
where:
Base-Base interactions energy: -576.594
where: short stacking energy: -245.516
Base-Backbone interact. energy: -1.473
local terms energy: -298.649533
where:
bonds (distance) C4'-P energy: -55.017
bonds (distance) P-C4' energy: -69.566
flat angles C4'-P-C4' energy: -71.787
flat angles P-C4'-P energy: -43.968
tors. eta vs tors. theta energy: -58.311
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: 10
=====================================
Write number: 270
Temperature: 1.300000
Total energy: -720.890160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -720.890160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -720.890160 (E_RNA)
where:
Base-Base interactions energy: -441.664
where: short stacking energy: -213.353
Base-Backbone interact. energy: -1.600
local terms energy: -277.626166
where:
bonds (distance) C4'-P energy: -61.489
bonds (distance) P-C4' energy: -70.531
flat angles C4'-P-C4' energy: -63.155
flat angles P-C4'-P energy: -37.354
tors. eta vs tors. theta energy: -45.097
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: 10, replica: 4
=====================================
Write number: 270
Temperature: 1.350000
Total energy: -458.532747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.532747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.532747 (E_RNA)
where:
Base-Base interactions energy: -229.985
where: short stacking energy: -115.774
Base-Backbone interact. energy: 1.693
local terms energy: -230.241175
where:
bonds (distance) C4'-P energy: -51.846
bonds (distance) P-C4' energy: -66.068
flat angles C4'-P-C4' energy: -64.619
flat angles P-C4'-P energy: -42.460
tors. eta vs tors. theta energy: -5.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 271
Temperature: 0.900000
Total energy: -1408.009149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1408.009149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1408.009149 (E_RNA)
where:
Base-Base interactions energy: -987.469
where: short stacking energy: -409.145
Base-Backbone interact. energy: -1.019
local terms energy: -419.521624
where:
bonds (distance) C4'-P energy: -80.365
bonds (distance) P-C4' energy: -76.225
flat angles C4'-P-C4' energy: -84.744
flat angles P-C4'-P energy: -58.559
tors. eta vs tors. theta energy: -119.629
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: 6
=====================================
Write number: 271
Temperature: 0.950000
Total energy: -1309.860827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1309.860827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1309.860827 (E_RNA)
where:
Base-Base interactions energy: -898.740
where: short stacking energy: -360.568
Base-Backbone interact. energy: -1.993
local terms energy: -409.128112
where:
bonds (distance) C4'-P energy: -80.248
bonds (distance) P-C4' energy: -78.884
flat angles C4'-P-C4' energy: -87.502
flat angles P-C4'-P energy: -57.276
tors. eta vs tors. theta energy: -105.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 271
Temperature: 1.000000
Total energy: -1266.151135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1266.151135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1266.151135 (E_RNA)
where:
Base-Base interactions energy: -864.845
where: short stacking energy: -384.121
Base-Backbone interact. energy: -1.763
local terms energy: -399.542444
where:
bonds (distance) C4'-P energy: -67.552
bonds (distance) P-C4' energy: -79.159
flat angles C4'-P-C4' energy: -79.308
flat angles P-C4'-P energy: -60.245
tors. eta vs tors. theta energy: -113.278
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: 4, replica: 3
=====================================
Write number: 271
Temperature: 1.050000
Total energy: -1225.257823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1225.257823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1225.257823 (E_RNA)
where:
Base-Base interactions energy: -830.366
where: short stacking energy: -362.714
Base-Backbone interact. energy: -1.847
local terms energy: -393.139876
where:
bonds (distance) C4'-P energy: -85.874
bonds (distance) P-C4' energy: -66.668
flat angles C4'-P-C4' energy: -78.219
flat angles P-C4'-P energy: -54.458
tors. eta vs tors. theta energy: -107.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.095 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 271
Temperature: 1.100000
Total energy: -1130.789042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1130.789042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1130.789042 (E_RNA)
where:
Base-Base interactions energy: -776.750
where: short stacking energy: -331.577
Base-Backbone interact. energy: -2.162
local terms energy: -351.876749
where:
bonds (distance) C4'-P energy: -64.645
bonds (distance) P-C4' energy: -68.614
flat angles C4'-P-C4' energy: -78.827
flat angles P-C4'-P energy: -50.360
tors. eta vs tors. theta energy: -89.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 271
Temperature: 1.150000
Total energy: -1069.932200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1069.932200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1069.932200 (E_RNA)
where:
Base-Base interactions energy: -709.199
where: short stacking energy: -302.001
Base-Backbone interact. energy: 0.513
local terms energy: -361.246599
where:
bonds (distance) C4'-P energy: -70.448
bonds (distance) P-C4' energy: -65.984
flat angles C4'-P-C4' energy: -91.253
flat angles P-C4'-P energy: -53.281
tors. eta vs tors. theta energy: -80.280
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: 2
=====================================
Write number: 271
Temperature: 1.200000
Total energy: -948.488395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -948.488395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -948.488395 (E_RNA)
where:
Base-Base interactions energy: -643.608
where: short stacking energy: -281.629
Base-Backbone interact. energy: 4.721
local terms energy: -309.990776
where:
bonds (distance) C4'-P energy: -61.209
bonds (distance) P-C4' energy: -64.889
flat angles C4'-P-C4' energy: -66.167
flat angles P-C4'-P energy: -53.739
tors. eta vs tors. theta energy: -63.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.390 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 271
Temperature: 1.250000
Total energy: -893.521669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -893.521669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -893.521669 (E_RNA)
where:
Base-Base interactions energy: -582.876
where: short stacking energy: -284.057
Base-Backbone interact. energy: -1.338
local terms energy: -309.307654
where:
bonds (distance) C4'-P energy: -59.253
bonds (distance) P-C4' energy: -64.147
flat angles C4'-P-C4' energy: -73.070
flat angles P-C4'-P energy: -47.525
tors. eta vs tors. theta energy: -65.314
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: 10
=====================================
Write number: 271
Temperature: 1.300000
Total energy: -714.097297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -714.097297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -714.097297 (E_RNA)
where:
Base-Base interactions energy: -475.336
where: short stacking energy: -209.080
Base-Backbone interact. energy: 6.976
local terms energy: -247.259981
where:
bonds (distance) C4'-P energy: -59.688
bonds (distance) P-C4' energy: -60.344
flat angles C4'-P-C4' energy: -57.981
flat angles P-C4'-P energy: -35.192
tors. eta vs tors. theta energy: -34.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.523 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 271
Temperature: 1.350000
Total energy: -381.227711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.227711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.227711 (E_RNA)
where:
Base-Base interactions energy: -166.448
where: short stacking energy: -100.064
Base-Backbone interact. energy: -0.185
local terms energy: -214.595221
where:
bonds (distance) C4'-P energy: -61.329
bonds (distance) P-C4' energy: -65.450
flat angles C4'-P-C4' energy: -55.201
flat angles P-C4'-P energy: -34.747
tors. eta vs tors. theta energy: 2.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 272
Temperature: 0.900000
Total energy: -1409.263512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1409.263512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1409.263512 (E_RNA)
where:
Base-Base interactions energy: -986.701
where: short stacking energy: -402.490
Base-Backbone interact. energy: -2.315
local terms energy: -420.248287
where:
bonds (distance) C4'-P energy: -73.987
bonds (distance) P-C4' energy: -72.100
flat angles C4'-P-C4' energy: -88.603
flat angles P-C4'-P energy: -65.290
tors. eta vs tors. theta energy: -120.269
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: 2, replica: 6
=====================================
Write number: 272
Temperature: 0.950000
Total energy: -1294.209269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1294.209269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1294.209269 (E_RNA)
where:
Base-Base interactions energy: -916.302
where: short stacking energy: -365.232
Base-Backbone interact. energy: -1.620
local terms energy: -376.287026
where:
bonds (distance) C4'-P energy: -64.179
bonds (distance) P-C4' energy: -75.938
flat angles C4'-P-C4' energy: -82.450
flat angles P-C4'-P energy: -61.249
tors. eta vs tors. theta energy: -92.471
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: 8
=====================================
Write number: 272
Temperature: 1.000000
Total energy: -1278.153810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1278.153810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1278.153810 (E_RNA)
where:
Base-Base interactions energy: -882.698
where: short stacking energy: -358.743
Base-Backbone interact. energy: -1.413
local terms energy: -394.232340
where:
bonds (distance) C4'-P energy: -65.970
bonds (distance) P-C4' energy: -74.042
flat angles C4'-P-C4' energy: -91.687
flat angles P-C4'-P energy: -49.242
tors. eta vs tors. theta energy: -113.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.190 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 272
Temperature: 1.050000
Total energy: -1244.439909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1244.439909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1244.439909 (E_RNA)
where:
Base-Base interactions energy: -860.844
where: short stacking energy: -372.664
Base-Backbone interact. energy: 2.899
local terms energy: -386.604726
where:
bonds (distance) C4'-P energy: -64.618
bonds (distance) P-C4' energy: -82.319
flat angles C4'-P-C4' energy: -83.119
flat angles P-C4'-P energy: -51.799
tors. eta vs tors. theta energy: -104.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.110 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 272
Temperature: 1.100000
Total energy: -1105.785272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1105.785272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1105.785272 (E_RNA)
where:
Base-Base interactions energy: -748.443
where: short stacking energy: -316.431
Base-Backbone interact. energy: -3.870
local terms energy: -353.472616
where:
bonds (distance) C4'-P energy: -61.430
bonds (distance) P-C4' energy: -84.344
flat angles C4'-P-C4' energy: -78.212
flat angles P-C4'-P energy: -49.074
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: 6, replica: 7
=====================================
Write number: 272
Temperature: 1.150000
Total energy: -1097.181861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1097.181861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1097.181861 (E_RNA)
where:
Base-Base interactions energy: -748.546
where: short stacking energy: -343.320
Base-Backbone interact. energy: 2.443
local terms energy: -351.079359
where:
bonds (distance) C4'-P energy: -56.457
bonds (distance) P-C4' energy: -68.733
flat angles C4'-P-C4' energy: -68.488
flat angles P-C4'-P energy: -60.090
tors. eta vs tors. theta energy: -97.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 272
Temperature: 1.200000
Total energy: -923.151425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -923.151425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -923.151425 (E_RNA)
where:
Base-Base interactions energy: -621.709
where: short stacking energy: -277.079
Base-Backbone interact. energy: 0.797
local terms energy: -302.239399
where:
bonds (distance) C4'-P energy: -53.595
bonds (distance) P-C4' energy: -59.565
flat angles C4'-P-C4' energy: -68.721
flat angles P-C4'-P energy: -48.639
tors. eta vs tors. theta energy: -71.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 272
Temperature: 1.250000
Total energy: -854.208763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -854.208763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -854.208763 (E_RNA)
where:
Base-Base interactions energy: -569.062
where: short stacking energy: -222.158
Base-Backbone interact. energy: -1.346
local terms energy: -283.800486
where:
bonds (distance) C4'-P energy: -50.292
bonds (distance) P-C4' energy: -57.870
flat angles C4'-P-C4' energy: -73.760
flat angles P-C4'-P energy: -56.196
tors. eta vs tors. theta energy: -45.682
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: 9, replica: 10
=====================================
Write number: 272
Temperature: 1.300000
Total energy: -770.486285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -770.486285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -770.486285 (E_RNA)
where:
Base-Base interactions energy: -488.184
where: short stacking energy: -215.245
Base-Backbone interact. energy: 4.709
local terms energy: -287.011018
where:
bonds (distance) C4'-P energy: -71.000
bonds (distance) P-C4' energy: -66.453
flat angles C4'-P-C4' energy: -60.565
flat angles P-C4'-P energy: -48.935
tors. eta vs tors. theta energy: -40.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 272
Temperature: 1.350000
Total energy: -399.011116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.011116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.011116 (E_RNA)
where:
Base-Base interactions energy: -199.537
where: short stacking energy: -116.255
Base-Backbone interact. energy: 3.147
local terms energy: -202.620551
where:
bonds (distance) C4'-P energy: -60.047
bonds (distance) P-C4' energy: -67.102
flat angles C4'-P-C4' energy: -50.805
flat angles P-C4'-P energy: -34.466
tors. eta vs tors. theta energy: 9.801
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: 5
=====================================
Write number: 273
Temperature: 0.900000
Total energy: -1405.783961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1405.783961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1405.783961 (E_RNA)
where:
Base-Base interactions energy: -987.524
where: short stacking energy: -408.783
Base-Backbone interact. energy: -1.724
local terms energy: -416.535843
where:
bonds (distance) C4'-P energy: -75.834
bonds (distance) P-C4' energy: -76.049
flat angles C4'-P-C4' energy: -88.538
flat angles P-C4'-P energy: -57.649
tors. eta vs tors. theta energy: -118.467
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: 6
=====================================
Write number: 273
Temperature: 0.950000
Total energy: -1288.606297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1288.606297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1288.606297 (E_RNA)
where:
Base-Base interactions energy: -915.191
where: short stacking energy: -356.663
Base-Backbone interact. energy: -2.772
local terms energy: -370.643343
where:
bonds (distance) C4'-P energy: -70.275
bonds (distance) P-C4' energy: -71.461
flat angles C4'-P-C4' energy: -86.270
flat angles P-C4'-P energy: -51.774
tors. eta vs tors. theta energy: -90.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 273
Temperature: 1.000000
Total energy: -1279.436169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1279.436169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1279.436169 (E_RNA)
where:
Base-Base interactions energy: -871.702
where: short stacking energy: -370.202
Base-Backbone interact. energy: -3.252
local terms energy: -404.481275
where:
bonds (distance) C4'-P energy: -80.437
bonds (distance) P-C4' energy: -78.727
flat angles C4'-P-C4' energy: -85.787
flat angles P-C4'-P energy: -50.894
tors. eta vs tors. theta energy: -108.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 273
Temperature: 1.050000
Total energy: -1237.600630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1237.600630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1237.600630 (E_RNA)
where:
Base-Base interactions energy: -852.191
where: short stacking energy: -366.292
Base-Backbone interact. energy: -1.864
local terms energy: -384.881104
where:
bonds (distance) C4'-P energy: -64.281
bonds (distance) P-C4' energy: -78.321
flat angles C4'-P-C4' energy: -74.983
flat angles P-C4'-P energy: -60.891
tors. eta vs tors. theta energy: -106.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.336 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 273
Temperature: 1.100000
Total energy: -1137.315594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1137.315594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1137.315594 (E_RNA)
where:
Base-Base interactions energy: -794.155
where: short stacking energy: -328.573
Base-Backbone interact. energy: -3.939
local terms energy: -339.221987
where:
bonds (distance) C4'-P energy: -60.968
bonds (distance) P-C4' energy: -68.475
flat angles C4'-P-C4' energy: -77.661
flat angles P-C4'-P energy: -48.834
tors. eta vs tors. theta energy: -83.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 273
Temperature: 1.150000
Total energy: -1064.251779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1064.251779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1064.251779 (E_RNA)
where:
Base-Base interactions energy: -710.052
where: short stacking energy: -327.197
Base-Backbone interact. energy: 0.406
local terms energy: -355.305309
where:
bonds (distance) C4'-P energy: -65.977
bonds (distance) P-C4' energy: -80.998
flat angles C4'-P-C4' energy: -70.346
flat angles P-C4'-P energy: -47.809
tors. eta vs tors. theta energy: -90.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.699 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 273
Temperature: 1.200000
Total energy: -912.149942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -912.149942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -912.149942 (E_RNA)
where:
Base-Base interactions energy: -592.216
where: short stacking energy: -273.200
Base-Backbone interact. energy: -0.990
local terms energy: -321.460946
where:
bonds (distance) C4'-P energy: -59.831
bonds (distance) P-C4' energy: -58.642
flat angles C4'-P-C4' energy: -84.228
flat angles P-C4'-P energy: -56.947
tors. eta vs tors. theta energy: -61.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 2.517 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 273
Temperature: 1.250000
Total energy: -877.097892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -877.097892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -877.097892 (E_RNA)
where:
Base-Base interactions energy: -587.244
where: short stacking energy: -267.602
Base-Backbone interact. energy: 1.814
local terms energy: -291.667782
where:
bonds (distance) C4'-P energy: -55.814
bonds (distance) P-C4' energy: -69.100
flat angles C4'-P-C4' energy: -65.935
flat angles P-C4'-P energy: -41.864
tors. eta vs tors. theta energy: -58.954
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: 10
=====================================
Write number: 273
Temperature: 1.300000
Total energy: -764.661857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -764.661857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -764.661857 (E_RNA)
where:
Base-Base interactions energy: -490.929
where: short stacking energy: -211.834
Base-Backbone interact. energy: -0.505
local terms energy: -273.494297
where:
bonds (distance) C4'-P energy: -67.991
bonds (distance) P-C4' energy: -61.350
flat angles C4'-P-C4' energy: -64.217
flat angles P-C4'-P energy: -42.680
tors. eta vs tors. theta energy: -37.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.266 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 273
Temperature: 1.350000
Total energy: -377.317075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.317075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -377.317075 (E_RNA)
where:
Base-Base interactions energy: -169.962
where: short stacking energy: -95.209
Base-Backbone interact. energy: 0.620
local terms energy: -207.975279
where:
bonds (distance) C4'-P energy: -69.526
bonds (distance) P-C4' energy: -70.223
flat angles C4'-P-C4' energy: -47.459
flat angles P-C4'-P energy: -30.234
tors. eta vs tors. theta energy: 9.466
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: 5
=====================================
Write number: 274
Temperature: 0.900000
Total energy: -1420.759397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1420.759397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1420.759397 (E_RNA)
where:
Base-Base interactions energy: -1010.968
where: short stacking energy: -428.229
Base-Backbone interact. energy: 0.281
local terms energy: -410.071577
where:
bonds (distance) C4'-P energy: -84.344
bonds (distance) P-C4' energy: -69.479
flat angles C4'-P-C4' energy: -78.949
flat angles P-C4'-P energy: -56.692
tors. eta vs tors. theta energy: -120.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 274
Temperature: 0.950000
Total energy: -1310.333541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1310.333541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1310.333541 (E_RNA)
where:
Base-Base interactions energy: -927.501
where: short stacking energy: -369.386
Base-Backbone interact. energy: -0.461
local terms energy: -382.371215
where:
bonds (distance) C4'-P energy: -76.190
bonds (distance) P-C4' energy: -67.243
flat angles C4'-P-C4' energy: -84.748
flat angles P-C4'-P energy: -55.539
tors. eta vs tors. theta energy: -98.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 274
Temperature: 1.000000
Total energy: -1245.435747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1245.435747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1245.435747 (E_RNA)
where:
Base-Base interactions energy: -860.040
where: short stacking energy: -378.908
Base-Backbone interact. energy: -1.826
local terms energy: -384.109694
where:
bonds (distance) C4'-P energy: -63.542
bonds (distance) P-C4' energy: -78.925
flat angles C4'-P-C4' energy: -75.302
flat angles P-C4'-P energy: -58.247
tors. eta vs tors. theta energy: -108.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.540 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 274
Temperature: 1.050000
Total energy: -1258.790877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1258.790877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1258.790877 (E_RNA)
where:
Base-Base interactions energy: -859.432
where: short stacking energy: -374.797
Base-Backbone interact. energy: -1.304
local terms energy: -398.055031
where:
bonds (distance) C4'-P energy: -78.086
bonds (distance) P-C4' energy: -74.078
flat angles C4'-P-C4' energy: -85.839
flat angles P-C4'-P energy: -49.825
tors. eta vs tors. theta energy: -110.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 274
Temperature: 1.100000
Total energy: -1153.092149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1153.092149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1153.092149 (E_RNA)
where:
Base-Base interactions energy: -792.402
where: short stacking energy: -337.393
Base-Backbone interact. energy: -0.122
local terms energy: -360.568229
where:
bonds (distance) C4'-P energy: -61.251
bonds (distance) P-C4' energy: -73.226
flat angles C4'-P-C4' energy: -79.422
flat angles P-C4'-P energy: -55.218
tors. eta vs tors. theta energy: -91.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 274
Temperature: 1.150000
Total energy: -1133.447513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1133.447513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1133.447513 (E_RNA)
where:
Base-Base interactions energy: -783.603
where: short stacking energy: -352.666
Base-Backbone interact. energy: -0.635
local terms energy: -349.209595
where:
bonds (distance) C4'-P energy: -55.096
bonds (distance) P-C4' energy: -66.599
flat angles C4'-P-C4' energy: -80.179
flat angles P-C4'-P energy: -44.828
tors. eta vs tors. theta energy: -102.507
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: 2
=====================================
Write number: 274
Temperature: 1.200000
Total energy: -962.936253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -962.936253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -962.936253 (E_RNA)
where:
Base-Base interactions energy: -645.157
where: short stacking energy: -285.682
Base-Backbone interact. energy: -4.621
local terms energy: -313.158947
where:
bonds (distance) C4'-P energy: -71.020
bonds (distance) P-C4' energy: -62.741
flat angles C4'-P-C4' energy: -67.368
flat angles P-C4'-P energy: -43.592
tors. eta vs tors. theta energy: -68.437
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: 1
=====================================
Write number: 274
Temperature: 1.250000
Total energy: -905.557548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -905.557548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -905.557548 (E_RNA)
where:
Base-Base interactions energy: -588.726
where: short stacking energy: -260.814
Base-Backbone interact. energy: 1.008
local terms energy: -317.839974
where:
bonds (distance) C4'-P energy: -59.771
bonds (distance) P-C4' energy: -67.893
flat angles C4'-P-C4' energy: -74.520
flat angles P-C4'-P energy: -53.878
tors. eta vs tors. theta energy: -61.778
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: 10
=====================================
Write number: 274
Temperature: 1.300000
Total energy: -762.068636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -762.068636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -762.068636 (E_RNA)
where:
Base-Base interactions energy: -480.203
where: short stacking energy: -218.802
Base-Backbone interact. energy: -0.193
local terms energy: -281.672611
where:
bonds (distance) C4'-P energy: -68.171
bonds (distance) P-C4' energy: -73.780
flat angles C4'-P-C4' energy: -53.537
flat angles P-C4'-P energy: -45.107
tors. eta vs tors. theta energy: -41.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 274
Temperature: 1.350000
Total energy: -387.129503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.129503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.129503 (E_RNA)
where:
Base-Base interactions energy: -170.602
where: short stacking energy: -123.357
Base-Backbone interact. energy: -0.700
local terms energy: -215.827015
where:
bonds (distance) C4'-P energy: -66.651
bonds (distance) P-C4' energy: -61.981
flat angles C4'-P-C4' energy: -45.679
flat angles P-C4'-P energy: -39.389
tors. eta vs tors. theta energy: -2.127
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: 1, replica: 5
=====================================
Write number: 275
Temperature: 0.900000
Total energy: -1410.084179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1410.084179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1410.084179 (E_RNA)
where:
Base-Base interactions energy: -991.483
where: short stacking energy: -407.792
Base-Backbone interact. energy: -3.061
local terms energy: -415.540214
where:
bonds (distance) C4'-P energy: -72.826
bonds (distance) P-C4' energy: -73.837
flat angles C4'-P-C4' energy: -86.479
flat angles P-C4'-P energy: -62.467
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: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 275
Temperature: 0.950000
Total energy: -1314.876705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1314.876705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1314.876705 (E_RNA)
where:
Base-Base interactions energy: -916.678
where: short stacking energy: -356.807
Base-Backbone interact. energy: 2.385
local terms energy: -400.584329
where:
bonds (distance) C4'-P energy: -79.946
bonds (distance) P-C4' energy: -88.451
flat angles C4'-P-C4' energy: -76.465
flat angles P-C4'-P energy: -57.190
tors. eta vs tors. theta energy: -98.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 275
Temperature: 1.000000
Total energy: -1247.214707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1247.214707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1247.214707 (E_RNA)
where:
Base-Base interactions energy: -844.637
where: short stacking energy: -373.881
Base-Backbone interact. energy: -1.210
local terms energy: -401.985193
where:
bonds (distance) C4'-P energy: -74.559
bonds (distance) P-C4' energy: -81.092
flat angles C4'-P-C4' energy: -84.254
flat angles P-C4'-P energy: -58.017
tors. eta vs tors. theta energy: -104.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.617 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 275
Temperature: 1.050000
Total energy: -1255.915825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1255.915825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1255.915825 (E_RNA)
where:
Base-Base interactions energy: -869.639
where: short stacking energy: -386.152
Base-Backbone interact. energy: -3.300
local terms energy: -383.544304
where:
bonds (distance) C4'-P energy: -60.227
bonds (distance) P-C4' energy: -69.793
flat angles C4'-P-C4' energy: -84.101
flat angles P-C4'-P energy: -58.604
tors. eta vs tors. theta energy: -110.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.568 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 275
Temperature: 1.100000
Total energy: -1159.233269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1159.233269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1159.233269 (E_RNA)
where:
Base-Base interactions energy: -803.240
where: short stacking energy: -349.437
Base-Backbone interact. energy: 0.188
local terms energy: -356.181693
where:
bonds (distance) C4'-P energy: -65.170
bonds (distance) P-C4' energy: -67.085
flat angles C4'-P-C4' energy: -78.355
flat angles P-C4'-P energy: -46.240
tors. eta vs tors. theta energy: -99.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 275
Temperature: 1.150000
Total energy: -1122.712233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1122.712233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1122.712233 (E_RNA)
where:
Base-Base interactions energy: -772.720
where: short stacking energy: -347.969
Base-Backbone interact. energy: -0.748
local terms energy: -349.244341
where:
bonds (distance) C4'-P energy: -67.207
bonds (distance) P-C4' energy: -63.995
flat angles C4'-P-C4' energy: -74.992
flat angles P-C4'-P energy: -44.092
tors. eta vs tors. theta energy: -98.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 275
Temperature: 1.200000
Total energy: -927.623512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -927.623512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -927.623512 (E_RNA)
where:
Base-Base interactions energy: -601.306
where: short stacking energy: -278.545
Base-Backbone interact. energy: 2.475
local terms energy: -328.791864
where:
bonds (distance) C4'-P energy: -66.643
bonds (distance) P-C4' energy: -64.093
flat angles C4'-P-C4' energy: -67.021
flat angles P-C4'-P energy: -55.521
tors. eta vs tors. theta energy: -75.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 275
Temperature: 1.250000
Total energy: -884.612374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -884.612374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -884.612374 (E_RNA)
where:
Base-Base interactions energy: -570.075
where: short stacking energy: -257.437
Base-Backbone interact. energy: -2.719
local terms energy: -311.818768
where:
bonds (distance) C4'-P energy: -54.778
bonds (distance) P-C4' energy: -69.707
flat angles C4'-P-C4' energy: -77.161
flat angles P-C4'-P energy: -46.760
tors. eta vs tors. theta energy: -63.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 275
Temperature: 1.300000
Total energy: -746.472261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -746.472261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -746.472261 (E_RNA)
where:
Base-Base interactions energy: -489.025
where: short stacking energy: -227.052
Base-Backbone interact. energy: -0.952
local terms energy: -256.495733
where:
bonds (distance) C4'-P energy: -68.701
bonds (distance) P-C4' energy: -58.030
flat angles C4'-P-C4' energy: -52.365
flat angles P-C4'-P energy: -43.273
tors. eta vs tors. theta energy: -34.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 275
Temperature: 1.350000
Total energy: -363.228540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.228540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.228540 (E_RNA)
where:
Base-Base interactions energy: -152.355
where: short stacking energy: -110.789
Base-Backbone interact. energy: 1.103
local terms energy: -211.976536
where:
bonds (distance) C4'-P energy: -65.356
bonds (distance) P-C4' energy: -63.322
flat angles C4'-P-C4' energy: -45.993
flat angles P-C4'-P energy: -39.331
tors. eta vs tors. theta energy: 2.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 276
Temperature: 0.900000
Total energy: -1407.179312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1407.179312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1407.179312 (E_RNA)
where:
Base-Base interactions energy: -993.227
where: short stacking energy: -402.472
Base-Backbone interact. energy: -2.727
local terms energy: -411.225808
where:
bonds (distance) C4'-P energy: -68.940
bonds (distance) P-C4' energy: -77.906
flat angles C4'-P-C4' energy: -87.669
flat angles P-C4'-P energy: -58.549
tors. eta vs tors. theta energy: -118.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 276
Temperature: 0.950000
Total energy: -1320.168830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1320.168830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1320.168830 (E_RNA)
where:
Base-Base interactions energy: -947.221
where: short stacking energy: -370.139
Base-Backbone interact. energy: -0.405
local terms energy: -372.543252
where:
bonds (distance) C4'-P energy: -68.485
bonds (distance) P-C4' energy: -77.593
flat angles C4'-P-C4' energy: -85.526
flat angles P-C4'-P energy: -48.959
tors. eta vs tors. theta energy: -91.980
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: 8
=====================================
Write number: 276
Temperature: 1.000000
Total energy: -1277.513069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1277.513069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1277.513069 (E_RNA)
where:
Base-Base interactions energy: -873.901
where: short stacking energy: -365.965
Base-Backbone interact. energy: -2.241
local terms energy: -402.110717
where:
bonds (distance) C4'-P energy: -80.175
bonds (distance) P-C4' energy: -76.952
flat angles C4'-P-C4' energy: -78.367
flat angles P-C4'-P energy: -54.979
tors. eta vs tors. theta energy: -111.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.739 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 276
Temperature: 1.050000
Total energy: -1251.401359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1251.401359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1251.401359 (E_RNA)
where:
Base-Base interactions energy: -859.627
where: short stacking energy: -363.393
Base-Backbone interact. energy: -2.002
local terms energy: -389.772291
where:
bonds (distance) C4'-P energy: -69.631
bonds (distance) P-C4' energy: -73.788
flat angles C4'-P-C4' energy: -90.938
flat angles P-C4'-P energy: -46.742
tors. eta vs tors. theta energy: -108.673
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: 7
=====================================
Write number: 276
Temperature: 1.100000
Total energy: -1161.241414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1161.241414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1161.241414 (E_RNA)
where:
Base-Base interactions energy: -782.110
where: short stacking energy: -324.253
Base-Backbone interact. energy: -1.951
local terms energy: -377.676060
where:
bonds (distance) C4'-P energy: -79.269
bonds (distance) P-C4' energy: -80.161
flat angles C4'-P-C4' energy: -73.195
flat angles P-C4'-P energy: -55.324
tors. eta vs tors. theta energy: -89.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.496 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 276
Temperature: 1.150000
Total energy: -1101.362774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1101.362774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1101.362774 (E_RNA)
where:
Base-Base interactions energy: -762.353
where: short stacking energy: -316.976
Base-Backbone interact. energy: -0.538
local terms energy: -338.471164
where:
bonds (distance) C4'-P energy: -66.236
bonds (distance) P-C4' energy: -77.450
flat angles C4'-P-C4' energy: -63.619
flat angles P-C4'-P energy: -54.056
tors. eta vs tors. theta energy: -77.110
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: 2
=====================================
Write number: 276
Temperature: 1.200000
Total energy: -881.103459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -881.103459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -881.103459 (E_RNA)
where:
Base-Base interactions energy: -568.464
where: short stacking energy: -244.873
Base-Backbone interact. energy: 0.571
local terms energy: -313.210194
where:
bonds (distance) C4'-P energy: -69.667
bonds (distance) P-C4' energy: -62.877
flat angles C4'-P-C4' energy: -69.928
flat angles P-C4'-P energy: -42.181
tors. eta vs tors. theta energy: -68.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 276
Temperature: 1.250000
Total energy: -863.239854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -863.239854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -863.239854 (E_RNA)
where:
Base-Base interactions energy: -546.892
where: short stacking energy: -239.618
Base-Backbone interact. energy: -0.125
local terms energy: -316.222903
where:
bonds (distance) C4'-P energy: -67.020
bonds (distance) P-C4' energy: -70.540
flat angles C4'-P-C4' energy: -68.910
flat angles P-C4'-P energy: -44.158
tors. eta vs tors. theta energy: -65.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 276
Temperature: 1.300000
Total energy: -778.870883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -778.870883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -778.870883 (E_RNA)
where:
Base-Base interactions energy: -509.319
where: short stacking energy: -228.548
Base-Backbone interact. energy: 1.778
local terms energy: -271.330230
where:
bonds (distance) C4'-P energy: -68.603
bonds (distance) P-C4' energy: -54.564
flat angles C4'-P-C4' energy: -63.092
flat angles P-C4'-P energy: -40.423
tors. eta vs tors. theta energy: -44.648
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: 4
=====================================
Write number: 276
Temperature: 1.350000
Total energy: -314.051521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.051521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.051521 (E_RNA)
where:
Base-Base interactions energy: -102.558
where: short stacking energy: -73.956
Base-Backbone interact. energy: -2.053
local terms energy: -209.440618
where:
bonds (distance) C4'-P energy: -54.900
bonds (distance) P-C4' energy: -72.352
flat angles C4'-P-C4' energy: -62.841
flat angles P-C4'-P energy: -38.684
tors. eta vs tors. theta energy: 19.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 277
Temperature: 0.900000
Total energy: -1404.676073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1404.676073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1404.676073 (E_RNA)
where:
Base-Base interactions energy: -980.786
where: short stacking energy: -410.724
Base-Backbone interact. energy: 0.463
local terms energy: -424.353922
where:
bonds (distance) C4'-P energy: -78.311
bonds (distance) P-C4' energy: -81.006
flat angles C4'-P-C4' energy: -92.615
flat angles P-C4'-P energy: -53.442
tors. eta vs tors. theta energy: -118.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 277
Temperature: 0.950000
Total energy: -1303.700787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1303.700787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1303.700787 (E_RNA)
where:
Base-Base interactions energy: -911.969
where: short stacking energy: -343.347
Base-Backbone interact. energy: -4.396
local terms energy: -387.335801
where:
bonds (distance) C4'-P energy: -73.566
bonds (distance) P-C4' energy: -79.400
flat angles C4'-P-C4' energy: -81.461
flat angles P-C4'-P energy: -60.242
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: 3, replica: 8
=====================================
Write number: 277
Temperature: 1.000000
Total energy: -1283.607664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1283.607664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1283.607664 (E_RNA)
where:
Base-Base interactions energy: -899.073
where: short stacking energy: -365.594
Base-Backbone interact. energy: -2.997
local terms energy: -381.537381
where:
bonds (distance) C4'-P energy: -61.300
bonds (distance) P-C4' energy: -69.638
flat angles C4'-P-C4' energy: -81.306
flat angles P-C4'-P energy: -55.532
tors. eta vs tors. theta energy: -113.760
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: 3
=====================================
Write number: 277
Temperature: 1.050000
Total energy: -1238.459482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1238.459482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1238.459482 (E_RNA)
where:
Base-Base interactions energy: -834.105
where: short stacking energy: -358.401
Base-Backbone interact. energy: 0.786
local terms energy: -405.140484
where:
bonds (distance) C4'-P energy: -82.701
bonds (distance) P-C4' energy: -75.111
flat angles C4'-P-C4' energy: -84.499
flat angles P-C4'-P energy: -64.585
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: 7
=====================================
Write number: 277
Temperature: 1.100000
Total energy: -1110.930599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1110.930599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1110.930599 (E_RNA)
where:
Base-Base interactions energy: -751.850
where: short stacking energy: -335.281
Base-Backbone interact. energy: -0.261
local terms energy: -358.819617
where:
bonds (distance) C4'-P energy: -70.955
bonds (distance) P-C4' energy: -61.798
flat angles C4'-P-C4' energy: -84.802
flat angles P-C4'-P energy: -50.706
tors. eta vs tors. theta energy: -90.559
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: 9
=====================================
Write number: 277
Temperature: 1.150000
Total energy: -1085.189197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1085.189197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1085.189197 (E_RNA)
where:
Base-Base interactions energy: -721.616
where: short stacking energy: -286.085
Base-Backbone interact. energy: -3.598
local terms energy: -359.975536
where:
bonds (distance) C4'-P energy: -69.886
bonds (distance) P-C4' energy: -85.874
flat angles C4'-P-C4' energy: -81.427
flat angles P-C4'-P energy: -39.234
tors. eta vs tors. theta energy: -83.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 277
Temperature: 1.200000
Total energy: -912.766794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -912.766794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -912.766794 (E_RNA)
where:
Base-Base interactions energy: -614.526
where: short stacking energy: -255.668
Base-Backbone interact. energy: -2.111
local terms energy: -296.130141
where:
bonds (distance) C4'-P energy: -64.246
bonds (distance) P-C4' energy: -71.685
flat angles C4'-P-C4' energy: -65.106
flat angles P-C4'-P energy: -38.962
tors. eta vs tors. theta energy: -56.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 277
Temperature: 1.250000
Total energy: -880.476142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -880.476142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -880.476142 (E_RNA)
where:
Base-Base interactions energy: -578.007
where: short stacking energy: -251.836
Base-Backbone interact. energy: -3.579
local terms energy: -298.889939
where:
bonds (distance) C4'-P energy: -60.041
bonds (distance) P-C4' energy: -73.785
flat angles C4'-P-C4' energy: -62.794
flat angles P-C4'-P energy: -47.758
tors. eta vs tors. theta energy: -54.512
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: 10
=====================================
Write number: 277
Temperature: 1.300000
Total energy: -771.541622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -771.541622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -771.541622 (E_RNA)
where:
Base-Base interactions energy: -511.640
where: short stacking energy: -232.203
Base-Backbone interact. energy: -1.119
local terms energy: -258.783258
where:
bonds (distance) C4'-P energy: -60.076
bonds (distance) P-C4' energy: -58.643
flat angles C4'-P-C4' energy: -66.123
flat angles P-C4'-P energy: -23.518
tors. eta vs tors. theta energy: -50.423
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: 4
=====================================
Write number: 277
Temperature: 1.350000
Total energy: -311.256046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.256046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.256046 (E_RNA)
where:
Base-Base interactions energy: -129.507
where: short stacking energy: -99.358
Base-Backbone interact. energy: 3.071
local terms energy: -184.819938
where:
bonds (distance) C4'-P energy: -62.056
bonds (distance) P-C4' energy: -66.322
flat angles C4'-P-C4' energy: -43.426
flat angles P-C4'-P energy: -28.636
tors. eta vs tors. theta energy: 15.619
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: 1, replica: 5
=====================================
Write number: 278
Temperature: 0.900000
Total energy: -1399.373133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1399.373133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1399.373133 (E_RNA)
where:
Base-Base interactions energy: -959.581
where: short stacking energy: -409.261
Base-Backbone interact. energy: 0.887
local terms energy: -440.678937
where:
bonds (distance) C4'-P energy: -79.510
bonds (distance) P-C4' energy: -85.747
flat angles C4'-P-C4' energy: -92.775
flat angles P-C4'-P energy: -59.364
tors. eta vs tors. theta energy: -123.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 278
Temperature: 0.950000
Total energy: -1300.184177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1300.184177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1300.184177 (E_RNA)
where:
Base-Base interactions energy: -933.910
where: short stacking energy: -370.367
Base-Backbone interact. energy: 2.342
local terms energy: -368.615606
where:
bonds (distance) C4'-P energy: -60.489
bonds (distance) P-C4' energy: -78.551
flat angles C4'-P-C4' energy: -83.859
flat angles P-C4'-P energy: -48.024
tors. eta vs tors. theta energy: -97.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 278
Temperature: 1.000000
Total energy: -1274.245814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1274.245814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1274.245814 (E_RNA)
where:
Base-Base interactions energy: -874.301
where: short stacking energy: -361.678
Base-Backbone interact. energy: -0.246
local terms energy: -399.697923
where:
bonds (distance) C4'-P energy: -71.491
bonds (distance) P-C4' energy: -75.643
flat angles C4'-P-C4' energy: -85.463
flat angles P-C4'-P energy: -59.827
tors. eta vs tors. theta energy: -107.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 278
Temperature: 1.050000
Total energy: -1238.460132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1238.460132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1238.460132 (E_RNA)
where:
Base-Base interactions energy: -853.413
where: short stacking energy: -357.749
Base-Backbone interact. energy: -1.742
local terms energy: -383.305115
where:
bonds (distance) C4'-P energy: -72.646
bonds (distance) P-C4' energy: -68.110
flat angles C4'-P-C4' energy: -89.176
flat angles P-C4'-P energy: -55.105
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: 7
=====================================
Write number: 278
Temperature: 1.100000
Total energy: -1148.689400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1148.689400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1148.689400 (E_RNA)
where:
Base-Base interactions energy: -779.315
where: short stacking energy: -344.932
Base-Backbone interact. energy: -2.689
local terms energy: -366.685440
where:
bonds (distance) C4'-P energy: -63.836
bonds (distance) P-C4' energy: -74.844
flat angles C4'-P-C4' energy: -77.740
flat angles P-C4'-P energy: -56.012
tors. eta vs tors. theta energy: -94.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 278
Temperature: 1.150000
Total energy: -1069.725657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1069.725657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1069.725657 (E_RNA)
where:
Base-Base interactions energy: -744.099
where: short stacking energy: -298.956
Base-Backbone interact. energy: -0.982
local terms energy: -324.644884
where:
bonds (distance) C4'-P energy: -73.051
bonds (distance) P-C4' energy: -69.494
flat angles C4'-P-C4' energy: -65.154
flat angles P-C4'-P energy: -46.409
tors. eta vs tors. theta energy: -70.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 278
Temperature: 1.200000
Total energy: -914.594729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -914.594729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -914.594729 (E_RNA)
where:
Base-Base interactions energy: -607.999
where: short stacking energy: -269.536
Base-Backbone interact. energy: 0.742
local terms energy: -309.591374
where:
bonds (distance) C4'-P energy: -62.763
bonds (distance) P-C4' energy: -68.107
flat angles C4'-P-C4' energy: -69.213
flat angles P-C4'-P energy: -49.906
tors. eta vs tors. theta energy: -59.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 2.253 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 278
Temperature: 1.250000
Total energy: -854.314443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -854.314443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -854.314443 (E_RNA)
where:
Base-Base interactions energy: -556.799
where: short stacking energy: -249.631
Base-Backbone interact. energy: 0.269
local terms energy: -297.784400
where:
bonds (distance) C4'-P energy: -50.311
bonds (distance) P-C4' energy: -68.412
flat angles C4'-P-C4' energy: -71.477
flat angles P-C4'-P energy: -45.545
tors. eta vs tors. theta energy: -62.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 278
Temperature: 1.300000
Total energy: -745.236506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -745.236506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -745.236506 (E_RNA)
where:
Base-Base interactions energy: -497.542
where: short stacking energy: -223.940
Base-Backbone interact. energy: -1.774
local terms energy: -245.919980
where:
bonds (distance) C4'-P energy: -57.434
bonds (distance) P-C4' energy: -44.794
flat angles C4'-P-C4' energy: -55.306
flat angles P-C4'-P energy: -37.733
tors. eta vs tors. theta energy: -50.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 278
Temperature: 1.350000
Total energy: -330.695600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.695600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.695600 (E_RNA)
where:
Base-Base interactions energy: -132.426
where: short stacking energy: -86.642
Base-Backbone interact. energy: 0.206
local terms energy: -198.475740
where:
bonds (distance) C4'-P energy: -60.765
bonds (distance) P-C4' energy: -69.258
flat angles C4'-P-C4' energy: -53.904
flat angles P-C4'-P energy: -28.017
tors. eta vs tors. theta energy: 13.468
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: 279
Temperature: 0.900000
Total energy: -1434.551669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1434.551669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1434.551669 (E_RNA)
where:
Base-Base interactions energy: -1016.450
where: short stacking energy: -421.597
Base-Backbone interact. energy: -0.906
local terms energy: -417.195894
where:
bonds (distance) C4'-P energy: -74.891
bonds (distance) P-C4' energy: -78.846
flat angles C4'-P-C4' energy: -89.951
flat angles P-C4'-P energy: -56.777
tors. eta vs tors. theta energy: -116.731
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: 8
=====================================
Write number: 279
Temperature: 0.950000
Total energy: -1278.878861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1278.878861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1278.878861 (E_RNA)
where:
Base-Base interactions energy: -882.602
where: short stacking energy: -371.657
Base-Backbone interact. energy: -1.357
local terms energy: -395.019980
where:
bonds (distance) C4'-P energy: -64.127
bonds (distance) P-C4' energy: -77.748
flat angles C4'-P-C4' energy: -84.772
flat angles P-C4'-P energy: -57.590
tors. eta vs tors. theta energy: -110.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.100 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 279
Temperature: 1.000000
Total energy: -1285.208929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1285.208929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1285.208929 (E_RNA)
where:
Base-Base interactions energy: -920.338
where: short stacking energy: -364.884
Base-Backbone interact. energy: -0.910
local terms energy: -363.961236
where:
bonds (distance) C4'-P energy: -62.755
bonds (distance) P-C4' energy: -70.849
flat angles C4'-P-C4' energy: -85.200
flat angles P-C4'-P energy: -58.337
tors. eta vs tors. theta energy: -86.821
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: 4, replica: 3
=====================================
Write number: 279
Temperature: 1.050000
Total energy: -1230.950169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1230.950169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1230.950169 (E_RNA)
where:
Base-Base interactions energy: -854.234
where: short stacking energy: -349.205
Base-Backbone interact. energy: -0.857
local terms energy: -375.859297
where:
bonds (distance) C4'-P energy: -80.246
bonds (distance) P-C4' energy: -78.818
flat angles C4'-P-C4' energy: -73.670
flat angles P-C4'-P energy: -48.588
tors. eta vs tors. theta energy: -94.538
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: 7
=====================================
Write number: 279
Temperature: 1.100000
Total energy: -1141.146829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1141.146829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1141.146829 (E_RNA)
where:
Base-Base interactions energy: -772.420
where: short stacking energy: -358.399
Base-Backbone interact. energy: 1.100
local terms energy: -369.826592
where:
bonds (distance) C4'-P energy: -74.896
bonds (distance) P-C4' energy: -64.401
flat angles C4'-P-C4' energy: -78.968
flat angles P-C4'-P energy: -49.680
tors. eta vs tors. theta energy: -101.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 279
Temperature: 1.150000
Total energy: -1095.863462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1095.863462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1095.863462 (E_RNA)
where:
Base-Base interactions energy: -769.647
where: short stacking energy: -328.528
Base-Backbone interact. energy: -1.170
local terms energy: -325.046410
where:
bonds (distance) C4'-P energy: -56.656
bonds (distance) P-C4' energy: -61.786
flat angles C4'-P-C4' energy: -72.539
flat angles P-C4'-P energy: -49.177
tors. eta vs tors. theta energy: -84.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 279
Temperature: 1.200000
Total energy: -906.719450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -906.719450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -906.719450 (E_RNA)
where:
Base-Base interactions energy: -609.126
where: short stacking energy: -261.827
Base-Backbone interact. energy: -0.366
local terms energy: -297.227497
where:
bonds (distance) C4'-P energy: -65.439
bonds (distance) P-C4' energy: -58.199
flat angles C4'-P-C4' energy: -74.304
flat angles P-C4'-P energy: -30.257
tors. eta vs tors. theta energy: -69.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 279
Temperature: 1.250000
Total energy: -814.134851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -814.134851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -814.134851 (E_RNA)
where:
Base-Base interactions energy: -512.358
where: short stacking energy: -239.703
Base-Backbone interact. energy: -0.800
local terms energy: -301.083406
where:
bonds (distance) C4'-P energy: -58.461
bonds (distance) P-C4' energy: -72.541
flat angles C4'-P-C4' energy: -69.088
flat angles P-C4'-P energy: -52.245
tors. eta vs tors. theta energy: -48.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.106 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 279
Temperature: 1.300000
Total energy: -850.546526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -850.546526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -850.546526 (E_RNA)
where:
Base-Base interactions energy: -590.739
where: short stacking energy: -245.556
Base-Backbone interact. energy: -1.911
local terms energy: -257.896093
where:
bonds (distance) C4'-P energy: -58.641
bonds (distance) P-C4' energy: -51.619
flat angles C4'-P-C4' energy: -51.448
flat angles P-C4'-P energy: -43.889
tors. eta vs tors. theta energy: -52.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 279
Temperature: 1.350000
Total energy: -313.789172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.789172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.789172 (E_RNA)
where:
Base-Base interactions energy: -122.503
where: short stacking energy: -85.273
Base-Backbone interact. energy: 9.241
local terms energy: -200.527504
where:
bonds (distance) C4'-P energy: -69.475
bonds (distance) P-C4' energy: -62.885
flat angles C4'-P-C4' energy: -57.071
flat angles P-C4'-P energy: -27.644
tors. eta vs tors. theta energy: 16.548
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: 1, replica: 5
=====================================
Write number: 280
Temperature: 0.900000
Total energy: -1405.184429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1405.184429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1405.184429 (E_RNA)
where:
Base-Base interactions energy: -990.491
where: short stacking energy: -418.140
Base-Backbone interact. energy: -0.768
local terms energy: -413.925667
where:
bonds (distance) C4'-P energy: -67.934
bonds (distance) P-C4' energy: -78.620
flat angles C4'-P-C4' energy: -90.802
flat angles P-C4'-P energy: -55.706
tors. eta vs tors. theta energy: -120.863
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: 8
=====================================
Write number: 280
Temperature: 0.950000
Total energy: -1303.300644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1303.300644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1303.300644 (E_RNA)
where:
Base-Base interactions energy: -907.590
where: short stacking energy: -397.018
Base-Backbone interact. energy: -3.272
local terms energy: -392.438078
where:
bonds (distance) C4'-P energy: -64.984
bonds (distance) P-C4' energy: -67.613
flat angles C4'-P-C4' energy: -85.469
flat angles P-C4'-P energy: -50.928
tors. eta vs tors. theta energy: -123.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 280
Temperature: 1.000000
Total energy: -1281.625432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1281.625432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1281.625432 (E_RNA)
where:
Base-Base interactions energy: -919.904
where: short stacking energy: -351.272
Base-Backbone interact. energy: 1.543
local terms energy: -363.263671
where:
bonds (distance) C4'-P energy: -68.077
bonds (distance) P-C4' energy: -73.702
flat angles C4'-P-C4' energy: -83.615
flat angles P-C4'-P energy: -51.672
tors. eta vs tors. theta energy: -86.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 280
Temperature: 1.050000
Total energy: -1243.719997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1243.719997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1243.719997 (E_RNA)
where:
Base-Base interactions energy: -874.747
where: short stacking energy: -363.263
Base-Backbone interact. energy: 0.728
local terms energy: -371.305273
where:
bonds (distance) C4'-P energy: -71.857
bonds (distance) P-C4' energy: -60.542
flat angles C4'-P-C4' energy: -83.597
flat angles P-C4'-P energy: -44.804
tors. eta vs tors. theta energy: -110.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.605 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 280
Temperature: 1.100000
Total energy: -1131.706151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1131.706151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1131.706151 (E_RNA)
where:
Base-Base interactions energy: -781.441
where: short stacking energy: -338.977
Base-Backbone interact. energy: 0.109
local terms energy: -350.374956
where:
bonds (distance) C4'-P energy: -60.078
bonds (distance) P-C4' energy: -72.706
flat angles C4'-P-C4' energy: -84.889
flat angles P-C4'-P energy: -40.257
tors. eta vs tors. theta energy: -92.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 280
Temperature: 1.150000
Total energy: -1112.269353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1112.269353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1112.269353 (E_RNA)
where:
Base-Base interactions energy: -780.672
where: short stacking energy: -316.303
Base-Backbone interact. energy: -0.475
local terms energy: -331.122398
where:
bonds (distance) C4'-P energy: -53.041
bonds (distance) P-C4' energy: -71.093
flat angles C4'-P-C4' energy: -61.771
flat angles P-C4'-P energy: -55.731
tors. eta vs tors. theta energy: -89.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 280
Temperature: 1.200000
Total energy: -904.819982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -904.819982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -904.819982 (E_RNA)
where:
Base-Base interactions energy: -602.246
where: short stacking energy: -277.502
Base-Backbone interact. energy: -1.554
local terms energy: -301.019944
where:
bonds (distance) C4'-P energy: -69.212
bonds (distance) P-C4' energy: -57.038
flat angles C4'-P-C4' energy: -67.609
flat angles P-C4'-P energy: -48.499
tors. eta vs tors. theta energy: -58.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 280
Temperature: 1.250000
Total energy: -806.222768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -806.222768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -806.222768 (E_RNA)
where:
Base-Base interactions energy: -505.771
where: short stacking energy: -238.481
Base-Backbone interact. energy: -1.140
local terms energy: -300.134233
where:
bonds (distance) C4'-P energy: -55.443
bonds (distance) P-C4' energy: -69.602
flat angles C4'-P-C4' energy: -67.880
flat angles P-C4'-P energy: -50.489
tors. eta vs tors. theta energy: -56.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.822 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 280
Temperature: 1.300000
Total energy: -815.642580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -815.642580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -815.642580 (E_RNA)
where:
Base-Base interactions energy: -536.044
where: short stacking energy: -224.439
Base-Backbone interact. energy: 1.116
local terms energy: -280.714348
where:
bonds (distance) C4'-P energy: -70.654
bonds (distance) P-C4' energy: -61.246
flat angles C4'-P-C4' energy: -65.894
flat angles P-C4'-P energy: -32.842
tors. eta vs tors. theta energy: -50.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 280
Temperature: 1.350000
Total energy: -343.748626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.748626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.748626 (E_RNA)
where:
Base-Base interactions energy: -118.148
where: short stacking energy: -101.031
Base-Backbone interact. energy: 0.829
local terms energy: -226.429626
where:
bonds (distance) C4'-P energy: -54.518
bonds (distance) P-C4' energy: -70.569
flat angles C4'-P-C4' energy: -59.255
flat angles P-C4'-P energy: -45.112
tors. eta vs tors. theta energy: 3.024
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: 1, replica: 5
=====================================
Write number: 281
Temperature: 0.900000
Total energy: -1401.571101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1401.571101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1401.571101 (E_RNA)
where:
Base-Base interactions energy: -986.443
where: short stacking energy: -422.131
Base-Backbone interact. energy: 1.911
local terms energy: -417.039301
where:
bonds (distance) C4'-P energy: -78.710
bonds (distance) P-C4' energy: -80.445
flat angles C4'-P-C4' energy: -82.638
flat angles P-C4'-P energy: -53.387
tors. eta vs tors. theta energy: -121.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 281
Temperature: 0.950000
Total energy: -1308.744312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1308.744312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1308.744312 (E_RNA)
where:
Base-Base interactions energy: -899.335
where: short stacking energy: -389.399
Base-Backbone interact. energy: -3.999
local terms energy: -405.410356
where:
bonds (distance) C4'-P energy: -74.059
bonds (distance) P-C4' energy: -73.579
flat angles C4'-P-C4' energy: -86.375
flat angles P-C4'-P energy: -61.562
tors. eta vs tors. theta energy: -109.836
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: 6
=====================================
Write number: 281
Temperature: 1.000000
Total energy: -1272.016152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1272.016152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1272.016152 (E_RNA)
where:
Base-Base interactions energy: -890.546
where: short stacking energy: -360.150
Base-Backbone interact. energy: -2.993
local terms energy: -378.477696
where:
bonds (distance) C4'-P energy: -73.112
bonds (distance) P-C4' energy: -68.329
flat angles C4'-P-C4' energy: -78.786
flat angles P-C4'-P energy: -62.125
tors. eta vs tors. theta energy: -96.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 281
Temperature: 1.050000
Total energy: -1231.757054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1231.757054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1231.757054 (E_RNA)
where:
Base-Base interactions energy: -851.065
where: short stacking energy: -358.438
Base-Backbone interact. energy: -0.127
local terms energy: -380.565008
where:
bonds (distance) C4'-P energy: -69.883
bonds (distance) P-C4' energy: -75.746
flat angles C4'-P-C4' energy: -80.570
flat angles P-C4'-P energy: -58.386
tors. eta vs tors. theta energy: -95.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 281
Temperature: 1.100000
Total energy: -1093.014576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1093.014576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1093.014576 (E_RNA)
where:
Base-Base interactions energy: -740.555
where: short stacking energy: -332.648
Base-Backbone interact. energy: -1.502
local terms energy: -350.957989
where:
bonds (distance) C4'-P energy: -69.277
bonds (distance) P-C4' energy: -65.399
flat angles C4'-P-C4' energy: -76.907
flat angles P-C4'-P energy: -40.738
tors. eta vs tors. theta energy: -98.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 281
Temperature: 1.150000
Total energy: -1052.691233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1052.691233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1052.691233 (E_RNA)
where:
Base-Base interactions energy: -701.077
where: short stacking energy: -291.092
Base-Backbone interact. energy: 2.953
local terms energy: -354.567164
where:
bonds (distance) C4'-P energy: -65.942
bonds (distance) P-C4' energy: -82.568
flat angles C4'-P-C4' energy: -77.035
flat angles P-C4'-P energy: -48.478
tors. eta vs tors. theta energy: -80.544
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: 281
Temperature: 1.200000
Total energy: -931.318336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -931.318336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -931.318336 (E_RNA)
where:
Base-Base interactions energy: -610.826
where: short stacking energy: -277.837
Base-Backbone interact. energy: -0.865
local terms energy: -319.628233
where:
bonds (distance) C4'-P energy: -50.889
bonds (distance) P-C4' energy: -66.751
flat angles C4'-P-C4' energy: -76.642
flat angles P-C4'-P energy: -49.315
tors. eta vs tors. theta energy: -76.031
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: 2
=====================================
Write number: 281
Temperature: 1.250000
Total energy: -782.880643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -782.880643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -782.880643 (E_RNA)
where:
Base-Base interactions energy: -499.630
where: short stacking energy: -230.751
Base-Backbone interact. energy: -0.789
local terms energy: -282.461197
where:
bonds (distance) C4'-P energy: -58.522
bonds (distance) P-C4' energy: -56.189
flat angles C4'-P-C4' energy: -74.218
flat angles P-C4'-P energy: -41.125
tors. eta vs tors. theta energy: -52.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 281
Temperature: 1.300000
Total energy: -754.117918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -754.117918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -754.117918 (E_RNA)
where:
Base-Base interactions energy: -478.624
where: short stacking energy: -215.662
Base-Backbone interact. energy: -0.605
local terms energy: -274.889225
where:
bonds (distance) C4'-P energy: -61.364
bonds (distance) P-C4' energy: -74.296
flat angles C4'-P-C4' energy: -71.800
flat angles P-C4'-P energy: -31.658
tors. eta vs tors. theta energy: -35.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 281
Temperature: 1.350000
Total energy: -338.702822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.702822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.702822 (E_RNA)
where:
Base-Base interactions energy: -160.873
where: short stacking energy: -118.883
Base-Backbone interact. energy: 0.001
local terms energy: -177.913427
where:
bonds (distance) C4'-P energy: -50.356
bonds (distance) P-C4' energy: -50.814
flat angles C4'-P-C4' energy: -51.941
flat angles P-C4'-P energy: -30.121
tors. eta vs tors. theta energy: 5.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.083 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 282
Temperature: 0.900000
Total energy: -1328.608393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1328.608393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1328.608393 (E_RNA)
where:
Base-Base interactions energy: -912.898
where: short stacking energy: -393.895
Base-Backbone interact. energy: 2.319
local terms energy: -418.030285
where:
bonds (distance) C4'-P energy: -78.659
bonds (distance) P-C4' energy: -81.747
flat angles C4'-P-C4' energy: -84.374
flat angles P-C4'-P energy: -57.212
tors. eta vs tors. theta energy: -116.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 282
Temperature: 0.950000
Total energy: -1398.084621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1398.084621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1398.084621 (E_RNA)
where:
Base-Base interactions energy: -1000.991
where: short stacking energy: -403.903
Base-Backbone interact. energy: -0.003
local terms energy: -397.089795
where:
bonds (distance) C4'-P energy: -69.528
bonds (distance) P-C4' energy: -81.789
flat angles C4'-P-C4' energy: -84.613
flat angles P-C4'-P energy: -46.526
tors. eta vs tors. theta energy: -114.633
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: 6
=====================================
Write number: 282
Temperature: 1.000000
Total energy: -1256.564000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1256.564000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1256.564000 (E_RNA)
where:
Base-Base interactions energy: -865.140
where: short stacking energy: -357.575
Base-Backbone interact. energy: -0.844
local terms energy: -390.579443
where:
bonds (distance) C4'-P energy: -72.470
bonds (distance) P-C4' energy: -74.684
flat angles C4'-P-C4' energy: -87.238
flat angles P-C4'-P energy: -51.196
tors. eta vs tors. theta energy: -104.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 282
Temperature: 1.050000
Total energy: -1267.343878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1267.343878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1267.343878 (E_RNA)
where:
Base-Base interactions energy: -893.984
where: short stacking energy: -377.868
Base-Backbone interact. energy: -1.872
local terms energy: -371.488000
where:
bonds (distance) C4'-P energy: -66.347
bonds (distance) P-C4' energy: -73.827
flat angles C4'-P-C4' energy: -79.509
flat angles P-C4'-P energy: -52.238
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: 5, replica: 9
=====================================
Write number: 282
Temperature: 1.100000
Total energy: -1116.497014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1116.497014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1116.497014 (E_RNA)
where:
Base-Base interactions energy: -778.777
where: short stacking energy: -334.984
Base-Backbone interact. energy: -0.392
local terms energy: -337.328372
where:
bonds (distance) C4'-P energy: -56.493
bonds (distance) P-C4' energy: -80.630
flat angles C4'-P-C4' energy: -72.179
flat angles P-C4'-P energy: -41.754
tors. eta vs tors. theta energy: -86.272
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: 7
=====================================
Write number: 282
Temperature: 1.150000
Total energy: -1057.761878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1057.761878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1057.761878 (E_RNA)
where:
Base-Base interactions energy: -713.346
where: short stacking energy: -321.356
Base-Backbone interact. energy: -0.331
local terms energy: -344.084790
where:
bonds (distance) C4'-P energy: -64.060
bonds (distance) P-C4' energy: -73.135
flat angles C4'-P-C4' energy: -79.622
flat angles P-C4'-P energy: -43.332
tors. eta vs tors. theta energy: -83.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 282
Temperature: 1.200000
Total energy: -903.397971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -903.397971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -903.397971 (E_RNA)
where:
Base-Base interactions energy: -590.216
where: short stacking energy: -266.001
Base-Backbone interact. energy: 0.894
local terms energy: -314.357172
where:
bonds (distance) C4'-P energy: -54.963
bonds (distance) P-C4' energy: -71.666
flat angles C4'-P-C4' energy: -62.592
flat angles P-C4'-P energy: -48.616
tors. eta vs tors. theta energy: -76.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.281 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 282
Temperature: 1.250000
Total energy: -802.656022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -802.656022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -802.656022 (E_RNA)
where:
Base-Base interactions energy: -523.693
where: short stacking energy: -242.517
Base-Backbone interact. energy: -1.123
local terms energy: -277.840683
where:
bonds (distance) C4'-P energy: -68.445
bonds (distance) P-C4' energy: -59.799
flat angles C4'-P-C4' energy: -54.191
flat angles P-C4'-P energy: -41.435
tors. eta vs tors. theta energy: -53.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 282
Temperature: 1.300000
Total energy: -797.170166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -797.170166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -797.170166 (E_RNA)
where:
Base-Base interactions energy: -502.679
where: short stacking energy: -215.304
Base-Backbone interact. energy: -0.119
local terms energy: -294.372612
where:
bonds (distance) C4'-P energy: -65.676
bonds (distance) P-C4' energy: -59.291
flat angles C4'-P-C4' energy: -75.596
flat angles P-C4'-P energy: -53.591
tors. eta vs tors. theta energy: -40.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 282
Temperature: 1.350000
Total energy: -423.772152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.772152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.772152 (E_RNA)
where:
Base-Base interactions energy: -199.467
where: short stacking energy: -100.122
Base-Backbone interact. energy: -1.744
local terms energy: -222.560817
where:
bonds (distance) C4'-P energy: -53.092
bonds (distance) P-C4' energy: -58.009
flat angles C4'-P-C4' energy: -67.198
flat angles P-C4'-P energy: -41.596
tors. eta vs tors. theta energy: -2.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 283
Temperature: 0.900000
Total energy: -1356.686878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1356.686878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1356.686878 (E_RNA)
where:
Base-Base interactions energy: -940.813
where: short stacking energy: -403.442
Base-Backbone interact. energy: 0.974
local terms energy: -417.691709
where:
bonds (distance) C4'-P energy: -69.041
bonds (distance) P-C4' energy: -80.654
flat angles C4'-P-C4' energy: -85.613
flat angles P-C4'-P energy: -53.789
tors. eta vs tors. theta energy: -128.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.844 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 283
Temperature: 0.950000
Total energy: -1383.998642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1383.998642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1383.998642 (E_RNA)
where:
Base-Base interactions energy: -980.200
where: short stacking energy: -399.239
Base-Backbone interact. energy: -2.743
local terms energy: -401.056584
where:
bonds (distance) C4'-P energy: -74.037
bonds (distance) P-C4' energy: -75.654
flat angles C4'-P-C4' energy: -79.780
flat angles P-C4'-P energy: -57.564
tors. eta vs tors. theta energy: -114.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 283
Temperature: 1.000000
Total energy: -1299.519414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1299.519414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1299.519414 (E_RNA)
where:
Base-Base interactions energy: -904.915
where: short stacking energy: -362.393
Base-Backbone interact. energy: -2.908
local terms energy: -391.696872
where:
bonds (distance) C4'-P energy: -76.371
bonds (distance) P-C4' energy: -69.273
flat angles C4'-P-C4' energy: -86.463
flat angles P-C4'-P energy: -57.047
tors. eta vs tors. theta energy: -102.543
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: 3
=====================================
Write number: 283
Temperature: 1.050000
Total energy: -1233.426524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1233.426524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1233.426524 (E_RNA)
where:
Base-Base interactions energy: -867.417
where: short stacking energy: -364.178
Base-Backbone interact. energy: 0.257
local terms energy: -366.266381
where:
bonds (distance) C4'-P energy: -61.265
bonds (distance) P-C4' energy: -70.174
flat angles C4'-P-C4' energy: -83.147
flat angles P-C4'-P energy: -50.657
tors. eta vs tors. theta energy: -101.024
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: 5, replica: 9
=====================================
Write number: 283
Temperature: 1.100000
Total energy: -1136.852395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1136.852395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1136.852395 (E_RNA)
where:
Base-Base interactions energy: -803.810
where: short stacking energy: -330.725
Base-Backbone interact. energy: -0.854
local terms energy: -332.189088
where:
bonds (distance) C4'-P energy: -59.128
bonds (distance) P-C4' energy: -64.192
flat angles C4'-P-C4' energy: -80.956
flat angles P-C4'-P energy: -47.009
tors. eta vs tors. theta energy: -80.903
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: 7
=====================================
Write number: 283
Temperature: 1.150000
Total energy: -1037.406867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1037.406867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1037.406867 (E_RNA)
where:
Base-Base interactions energy: -701.571
where: short stacking energy: -306.141
Base-Backbone interact. energy: -1.148
local terms energy: -334.687089
where:
bonds (distance) C4'-P energy: -60.557
bonds (distance) P-C4' energy: -75.605
flat angles C4'-P-C4' energy: -69.177
flat angles P-C4'-P energy: -49.150
tors. eta vs tors. theta energy: -80.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 283
Temperature: 1.200000
Total energy: -953.050250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -953.050250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -953.050250 (E_RNA)
where:
Base-Base interactions energy: -620.574
where: short stacking energy: -291.456
Base-Backbone interact. energy: 0.745
local terms energy: -333.221907
where:
bonds (distance) C4'-P energy: -54.304
bonds (distance) P-C4' energy: -61.217
flat angles C4'-P-C4' energy: -77.226
flat angles P-C4'-P energy: -53.556
tors. eta vs tors. theta energy: -86.919
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: 10
=====================================
Write number: 283
Temperature: 1.250000
Total energy: -831.996188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -831.996188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -831.996188 (E_RNA)
where:
Base-Base interactions energy: -553.739
where: short stacking energy: -240.090
Base-Backbone interact. energy: -2.185
local terms energy: -277.882870
where:
bonds (distance) C4'-P energy: -62.602
bonds (distance) P-C4' energy: -58.980
flat angles C4'-P-C4' energy: -62.110
flat angles P-C4'-P energy: -46.765
tors. eta vs tors. theta energy: -47.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.810 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 283
Temperature: 1.300000
Total energy: -699.543218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -699.543218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -699.543218 (E_RNA)
where:
Base-Base interactions energy: -439.025
where: short stacking energy: -202.012
Base-Backbone interact. energy: -1.409
local terms energy: -259.109385
where:
bonds (distance) C4'-P energy: -66.034
bonds (distance) P-C4' energy: -59.710
flat angles C4'-P-C4' energy: -62.660
flat angles P-C4'-P energy: -26.608
tors. eta vs tors. theta energy: -44.097
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: 10, replica: 4
=====================================
Write number: 283
Temperature: 1.350000
Total energy: -427.231002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.231002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.231002 (E_RNA)
where:
Base-Base interactions energy: -209.525
where: short stacking energy: -133.886
Base-Backbone interact. energy: -1.802
local terms energy: -215.903623
where:
bonds (distance) C4'-P energy: -65.207
bonds (distance) P-C4' energy: -57.463
flat angles C4'-P-C4' energy: -56.908
flat angles P-C4'-P energy: -30.621
tors. eta vs tors. theta energy: -5.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 284
Temperature: 0.900000
Total energy: -1402.899373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1402.899373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1402.899373 (E_RNA)
where:
Base-Base interactions energy: -984.724
where: short stacking energy: -407.969
Base-Backbone interact. energy: -0.017
local terms energy: -418.158429
where:
bonds (distance) C4'-P energy: -79.977
bonds (distance) P-C4' energy: -77.961
flat angles C4'-P-C4' energy: -86.780
flat angles P-C4'-P energy: -57.126
tors. eta vs tors. theta energy: -116.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 284
Temperature: 0.950000
Total energy: -1335.773943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1335.773943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1335.773943 (E_RNA)
where:
Base-Base interactions energy: -917.327
where: short stacking energy: -393.954
Base-Backbone interact. energy: -2.635
local terms energy: -415.811463
where:
bonds (distance) C4'-P energy: -63.575
bonds (distance) P-C4' energy: -77.025
flat angles C4'-P-C4' energy: -86.875
flat angles P-C4'-P energy: -63.940
tors. eta vs tors. theta energy: -124.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 284
Temperature: 1.000000
Total energy: -1272.134795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1272.134795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1272.134795 (E_RNA)
where:
Base-Base interactions energy: -901.819
where: short stacking energy: -382.113
Base-Backbone interact. energy: -0.638
local terms energy: -370.645188
where:
bonds (distance) C4'-P energy: -70.106
bonds (distance) P-C4' energy: -77.293
flat angles C4'-P-C4' energy: -84.162
flat angles P-C4'-P energy: -44.321
tors. eta vs tors. theta energy: -94.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.968 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 284
Temperature: 1.050000
Total energy: -1233.233929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1233.233929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1233.233929 (E_RNA)
where:
Base-Base interactions energy: -870.650
where: short stacking energy: -369.066
Base-Backbone interact. energy: -1.171
local terms energy: -362.770623
where:
bonds (distance) C4'-P energy: -59.895
bonds (distance) P-C4' energy: -64.076
flat angles C4'-P-C4' energy: -85.553
flat angles P-C4'-P energy: -52.785
tors. eta vs tors. theta energy: -100.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.358 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 284
Temperature: 1.100000
Total energy: -1150.596491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1150.596491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1150.596491 (E_RNA)
where:
Base-Base interactions energy: -788.998
where: short stacking energy: -348.657
Base-Backbone interact. energy: 1.297
local terms energy: -362.894962
where:
bonds (distance) C4'-P energy: -70.136
bonds (distance) P-C4' energy: -72.289
flat angles C4'-P-C4' energy: -76.523
flat angles P-C4'-P energy: -54.309
tors. eta vs tors. theta energy: -89.639
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: 7
=====================================
Write number: 284
Temperature: 1.150000
Total energy: -1069.175023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1069.175023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1069.175023 (E_RNA)
where:
Base-Base interactions energy: -713.057
where: short stacking energy: -326.760
Base-Backbone interact. energy: -1.881
local terms energy: -354.236676
where:
bonds (distance) C4'-P energy: -63.827
bonds (distance) P-C4' energy: -71.292
flat angles C4'-P-C4' energy: -83.365
flat angles P-C4'-P energy: -45.458
tors. eta vs tors. theta energy: -90.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 284
Temperature: 1.200000
Total energy: -907.900532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -907.900532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -907.900532 (E_RNA)
where:
Base-Base interactions energy: -604.818
where: short stacking energy: -242.796
Base-Backbone interact. energy: -0.663
local terms energy: -302.419708
where:
bonds (distance) C4'-P energy: -71.296
bonds (distance) P-C4' energy: -65.027
flat angles C4'-P-C4' energy: -69.139
flat angles P-C4'-P energy: -38.070
tors. eta vs tors. theta energy: -58.887
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: 8, replica: 10
=====================================
Write number: 284
Temperature: 1.250000
Total energy: -784.862808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -784.862808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -784.862808 (E_RNA)
where:
Base-Base interactions energy: -516.102
where: short stacking energy: -225.595
Base-Backbone interact. energy: -1.135
local terms energy: -267.625655
where:
bonds (distance) C4'-P energy: -58.763
bonds (distance) P-C4' energy: -59.265
flat angles C4'-P-C4' energy: -63.708
flat angles P-C4'-P energy: -35.614
tors. eta vs tors. theta energy: -50.276
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: 2
=====================================
Write number: 284
Temperature: 1.300000
Total energy: -645.406592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -645.406592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -645.406592 (E_RNA)
where:
Base-Base interactions energy: -390.639
where: short stacking energy: -180.383
Base-Backbone interact. energy: 2.623
local terms energy: -257.390515
where:
bonds (distance) C4'-P energy: -63.847
bonds (distance) P-C4' energy: -65.013
flat angles C4'-P-C4' energy: -65.275
flat angles P-C4'-P energy: -36.449
tors. eta vs tors. theta energy: -26.807
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: 10, replica: 4
=====================================
Write number: 284
Temperature: 1.350000
Total energy: -414.772090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.772090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.772090 (E_RNA)
where:
Base-Base interactions energy: -203.397
where: short stacking energy: -133.278
Base-Backbone interact. energy: -0.543
local terms energy: -210.832066
where:
bonds (distance) C4'-P energy: -51.065
bonds (distance) P-C4' energy: -64.616
flat angles C4'-P-C4' energy: -69.913
flat angles P-C4'-P energy: -28.794
tors. eta vs tors. theta energy: 3.555
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: 5
=====================================
Write number: 285
Temperature: 0.900000
Total energy: -1407.534275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1407.534275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1407.534275 (E_RNA)
where:
Base-Base interactions energy: -978.717
where: short stacking energy: -416.126
Base-Backbone interact. energy: -0.804
local terms energy: -428.013875
where:
bonds (distance) C4'-P energy: -84.937
bonds (distance) P-C4' energy: -76.921
flat angles C4'-P-C4' energy: -86.379
flat angles P-C4'-P energy: -54.301
tors. eta vs tors. theta energy: -125.476
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: 8
=====================================
Write number: 285
Temperature: 0.950000
Total energy: -1338.885095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1338.885095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1338.885095 (E_RNA)
where:
Base-Base interactions energy: -927.874
where: short stacking energy: -389.307
Base-Backbone interact. energy: -0.932
local terms energy: -410.079097
where:
bonds (distance) C4'-P energy: -74.429
bonds (distance) P-C4' energy: -71.948
flat angles C4'-P-C4' energy: -87.882
flat angles P-C4'-P energy: -58.846
tors. eta vs tors. theta energy: -116.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 285
Temperature: 1.000000
Total energy: -1288.951855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1288.951855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1288.951855 (E_RNA)
where:
Base-Base interactions energy: -920.251
where: short stacking energy: -387.812
Base-Backbone interact. energy: -1.874
local terms energy: -366.827193
where:
bonds (distance) C4'-P energy: -63.473
bonds (distance) P-C4' energy: -71.680
flat angles C4'-P-C4' energy: -78.693
flat angles P-C4'-P energy: -53.294
tors. eta vs tors. theta energy: -99.688
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: 3
=====================================
Write number: 285
Temperature: 1.050000
Total energy: -1207.604195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1207.604195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1207.604195 (E_RNA)
where:
Base-Base interactions energy: -849.222
where: short stacking energy: -363.033
Base-Backbone interact. energy: -1.230
local terms energy: -357.152328
where:
bonds (distance) C4'-P energy: -67.609
bonds (distance) P-C4' energy: -70.062
flat angles C4'-P-C4' energy: -76.164
flat angles P-C4'-P energy: -46.840
tors. eta vs tors. theta energy: -96.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 285
Temperature: 1.100000
Total energy: -1151.427343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1151.427343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1151.427343 (E_RNA)
where:
Base-Base interactions energy: -820.061
where: short stacking energy: -353.388
Base-Backbone interact. energy: 0.208
local terms energy: -331.573569
where:
bonds (distance) C4'-P energy: -53.601
bonds (distance) P-C4' energy: -61.187
flat angles C4'-P-C4' energy: -82.931
flat angles P-C4'-P energy: -43.426
tors. eta vs tors. theta energy: -90.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 285
Temperature: 1.150000
Total energy: -1035.750724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1035.750724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1035.750724 (E_RNA)
where:
Base-Base interactions energy: -696.449
where: short stacking energy: -308.140
Base-Backbone interact. energy: -0.829
local terms energy: -338.472711
where:
bonds (distance) C4'-P energy: -66.212
bonds (distance) P-C4' energy: -68.151
flat angles C4'-P-C4' energy: -76.965
flat angles P-C4'-P energy: -59.437
tors. eta vs tors. theta energy: -67.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 285
Temperature: 1.200000
Total energy: -894.196301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -894.196301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -894.196301 (E_RNA)
where:
Base-Base interactions energy: -597.760
where: short stacking energy: -255.535
Base-Backbone interact. energy: -2.436
local terms energy: -293.999463
where:
bonds (distance) C4'-P energy: -70.900
bonds (distance) P-C4' energy: -51.901
flat angles C4'-P-C4' energy: -69.180
flat angles P-C4'-P energy: -47.949
tors. eta vs tors. theta energy: -54.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 285
Temperature: 1.250000
Total energy: -810.827026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -810.827026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -810.827026 (E_RNA)
where:
Base-Base interactions energy: -530.896
where: short stacking energy: -230.354
Base-Backbone interact. energy: 3.711
local terms energy: -283.642342
where:
bonds (distance) C4'-P energy: -64.827
bonds (distance) P-C4' energy: -65.338
flat angles C4'-P-C4' energy: -58.468
flat angles P-C4'-P energy: -44.969
tors. eta vs tors. theta energy: -50.041
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: 9, replica: 2
=====================================
Write number: 285
Temperature: 1.300000
Total energy: -714.624299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -714.624299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -714.624299 (E_RNA)
where:
Base-Base interactions energy: -463.229
where: short stacking energy: -216.385
Base-Backbone interact. energy: -1.126
local terms energy: -250.269646
where:
bonds (distance) C4'-P energy: -48.578
bonds (distance) P-C4' energy: -52.382
flat angles C4'-P-C4' energy: -56.753
flat angles P-C4'-P energy: -45.223
tors. eta vs tors. theta energy: -47.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 285
Temperature: 1.350000
Total energy: -452.400635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.400635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.400635 (E_RNA)
where:
Base-Base interactions energy: -246.585
where: short stacking energy: -146.772
Base-Backbone interact. energy: 4.704
local terms energy: -210.784539
where:
bonds (distance) C4'-P energy: -61.597
bonds (distance) P-C4' energy: -55.720
flat angles C4'-P-C4' energy: -56.973
flat angles P-C4'-P energy: -32.629
tors. eta vs tors. theta energy: -3.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.265 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 286
Temperature: 0.900000
Total energy: -1414.830157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1414.830157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1414.830157 (E_RNA)
where:
Base-Base interactions energy: -1005.152
where: short stacking energy: -410.948
Base-Backbone interact. energy: 0.715
local terms energy: -410.392476
where:
bonds (distance) C4'-P energy: -73.930
bonds (distance) P-C4' energy: -74.088
flat angles C4'-P-C4' energy: -87.868
flat angles P-C4'-P energy: -59.977
tors. eta vs tors. theta energy: -114.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 286
Temperature: 0.950000
Total energy: -1326.479161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1326.479161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1326.479161 (E_RNA)
where:
Base-Base interactions energy: -926.054
where: short stacking energy: -385.063
Base-Backbone interact. energy: 1.876
local terms energy: -402.301232
where:
bonds (distance) C4'-P energy: -73.746
bonds (distance) P-C4' energy: -66.213
flat angles C4'-P-C4' energy: -82.433
flat angles P-C4'-P energy: -53.409
tors. eta vs tors. theta energy: -126.500
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: 286
Temperature: 1.000000
Total energy: -1252.951980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1252.951980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1252.951980 (E_RNA)
where:
Base-Base interactions energy: -874.290
where: short stacking energy: -354.113
Base-Backbone interact. energy: -1.575
local terms energy: -377.087010
where:
bonds (distance) C4'-P energy: -65.066
bonds (distance) P-C4' energy: -70.474
flat angles C4'-P-C4' energy: -80.297
flat angles P-C4'-P energy: -59.937
tors. eta vs tors. theta energy: -101.313
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: 6
=====================================
Write number: 286
Temperature: 1.050000
Total energy: -1260.682296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1260.682296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1260.682296 (E_RNA)
where:
Base-Base interactions energy: -892.340
where: short stacking energy: -351.965
Base-Backbone interact. energy: -2.638
local terms energy: -365.704146
where:
bonds (distance) C4'-P energy: -68.977
bonds (distance) P-C4' energy: -70.542
flat angles C4'-P-C4' energy: -82.597
flat angles P-C4'-P energy: -44.895
tors. eta vs tors. theta energy: -98.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 286
Temperature: 1.100000
Total energy: -1165.656975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1165.656975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1165.656975 (E_RNA)
where:
Base-Base interactions energy: -802.797
where: short stacking energy: -330.183
Base-Backbone interact. energy: -1.469
local terms energy: -361.391213
where:
bonds (distance) C4'-P energy: -74.217
bonds (distance) P-C4' energy: -60.839
flat angles C4'-P-C4' energy: -75.826
flat angles P-C4'-P energy: -56.513
tors. eta vs tors. theta energy: -93.996
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: 7
=====================================
Write number: 286
Temperature: 1.150000
Total energy: -1067.178331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1067.178331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1067.178331 (E_RNA)
where:
Base-Base interactions energy: -749.473
where: short stacking energy: -327.148
Base-Backbone interact. energy: -2.016
local terms energy: -315.689413
where:
bonds (distance) C4'-P energy: -67.346
bonds (distance) P-C4' energy: -62.666
flat angles C4'-P-C4' energy: -58.033
flat angles P-C4'-P energy: -40.341
tors. eta vs tors. theta energy: -87.304
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: 1
=====================================
Write number: 286
Temperature: 1.200000
Total energy: -924.864594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -924.864594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -924.864594 (E_RNA)
where:
Base-Base interactions energy: -592.331
where: short stacking energy: -265.086
Base-Backbone interact. energy: -0.686
local terms energy: -331.847184
where:
bonds (distance) C4'-P energy: -64.778
bonds (distance) P-C4' energy: -80.299
flat angles C4'-P-C4' energy: -78.554
flat angles P-C4'-P energy: -41.128
tors. eta vs tors. theta energy: -67.087
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: 10
=====================================
Write number: 286
Temperature: 1.250000
Total energy: -771.089445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -771.089445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -771.089445 (E_RNA)
where:
Base-Base interactions energy: -514.523
where: short stacking energy: -229.343
Base-Backbone interact. energy: 0.437
local terms energy: -257.003349
where:
bonds (distance) C4'-P energy: -56.969
bonds (distance) P-C4' energy: -70.466
flat angles C4'-P-C4' energy: -55.006
flat angles P-C4'-P energy: -32.325
tors. eta vs tors. theta energy: -42.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 286
Temperature: 1.300000
Total energy: -638.445235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -638.445235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -638.445235 (E_RNA)
where:
Base-Base interactions energy: -381.089
where: short stacking energy: -187.350
Base-Backbone interact. energy: -0.630
local terms energy: -256.726856
where:
bonds (distance) C4'-P energy: -50.062
bonds (distance) P-C4' energy: -66.271
flat angles C4'-P-C4' energy: -75.460
flat angles P-C4'-P energy: -37.117
tors. eta vs tors. theta energy: -27.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 286
Temperature: 1.350000
Total energy: -454.584520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.584520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.584520 (E_RNA)
where:
Base-Base interactions energy: -238.890
where: short stacking energy: -135.507
Base-Backbone interact. energy: 1.467
local terms energy: -217.160991
where:
bonds (distance) C4'-P energy: -61.313
bonds (distance) P-C4' energy: -56.335
flat angles C4'-P-C4' energy: -61.462
flat angles P-C4'-P energy: -28.365
tors. eta vs tors. theta energy: -9.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 287
Temperature: 0.900000
Total energy: -1410.689913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1410.689913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1410.689913 (E_RNA)
where:
Base-Base interactions energy: -987.368
where: short stacking energy: -402.917
Base-Backbone interact. energy: -1.619
local terms energy: -421.703515
where:
bonds (distance) C4'-P energy: -79.513
bonds (distance) P-C4' energy: -73.362
flat angles C4'-P-C4' energy: -90.452
flat angles P-C4'-P energy: -61.423
tors. eta vs tors. theta energy: -116.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 287
Temperature: 0.950000
Total energy: -1331.014428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1331.014428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1331.014428 (E_RNA)
where:
Base-Base interactions energy: -943.566
where: short stacking energy: -410.905
Base-Backbone interact. energy: -2.629
local terms energy: -384.819208
where:
bonds (distance) C4'-P energy: -56.727
bonds (distance) P-C4' energy: -70.106
flat angles C4'-P-C4' energy: -83.209
flat angles P-C4'-P energy: -51.638
tors. eta vs tors. theta energy: -123.140
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: 3, replica: 3
=====================================
Write number: 287
Temperature: 1.000000
Total energy: -1268.658384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1268.658384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1268.658384 (E_RNA)
where:
Base-Base interactions energy: -900.571
where: short stacking energy: -376.285
Base-Backbone interact. energy: -2.100
local terms energy: -365.987788
where:
bonds (distance) C4'-P energy: -59.248
bonds (distance) P-C4' energy: -64.304
flat angles C4'-P-C4' energy: -77.156
flat angles P-C4'-P energy: -64.178
tors. eta vs tors. theta energy: -101.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 287
Temperature: 1.050000
Total energy: -1272.171334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1272.171334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1272.171334 (E_RNA)
where:
Base-Base interactions energy: -911.760
where: short stacking energy: -355.245
Base-Backbone interact. energy: 2.198
local terms energy: -362.609142
where:
bonds (distance) C4'-P energy: -70.876
bonds (distance) P-C4' energy: -64.445
flat angles C4'-P-C4' energy: -82.188
flat angles P-C4'-P energy: -50.505
tors. eta vs tors. theta energy: -94.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 287
Temperature: 1.100000
Total energy: -1154.740798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1154.740798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1154.740798 (E_RNA)
where:
Base-Base interactions energy: -798.772
where: short stacking energy: -336.443
Base-Backbone interact. energy: -2.469
local terms energy: -353.499746
where:
bonds (distance) C4'-P energy: -65.726
bonds (distance) P-C4' energy: -65.713
flat angles C4'-P-C4' energy: -75.239
flat angles P-C4'-P energy: -53.897
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: 6, replica: 7
=====================================
Write number: 287
Temperature: 1.150000
Total energy: -1045.744287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1045.744287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1045.744287 (E_RNA)
where:
Base-Base interactions energy: -696.927
where: short stacking energy: -302.668
Base-Backbone interact. energy: -0.662
local terms energy: -348.155155
where:
bonds (distance) C4'-P energy: -62.597
bonds (distance) P-C4' energy: -77.948
flat angles C4'-P-C4' energy: -73.698
flat angles P-C4'-P energy: -48.670
tors. eta vs tors. theta energy: -85.242
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: 1
=====================================
Write number: 287
Temperature: 1.200000
Total energy: -952.048669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -952.048669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -952.048669 (E_RNA)
where:
Base-Base interactions energy: -624.742
where: short stacking energy: -264.786
Base-Backbone interact. energy: -0.731
local terms energy: -326.575605
where:
bonds (distance) C4'-P energy: -71.789
bonds (distance) P-C4' energy: -60.262
flat angles C4'-P-C4' energy: -69.222
flat angles P-C4'-P energy: -42.613
tors. eta vs tors. theta energy: -82.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 287
Temperature: 1.250000
Total energy: -829.466612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -829.466612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -829.466612 (E_RNA)
where:
Base-Base interactions energy: -555.003
where: short stacking energy: -258.291
Base-Backbone interact. energy: -1.528
local terms energy: -272.935690
where:
bonds (distance) C4'-P energy: -52.852
bonds (distance) P-C4' energy: -52.255
flat angles C4'-P-C4' energy: -71.806
flat angles P-C4'-P energy: -47.008
tors. eta vs tors. theta energy: -49.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 287
Temperature: 1.300000
Total energy: -575.405545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -575.405545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -575.405545 (E_RNA)
where:
Base-Base interactions energy: -304.139
where: short stacking energy: -164.443
Base-Backbone interact. energy: -1.435
local terms energy: -269.855981
where:
bonds (distance) C4'-P energy: -57.338
bonds (distance) P-C4' energy: -82.693
flat angles C4'-P-C4' energy: -61.829
flat angles P-C4'-P energy: -42.101
tors. eta vs tors. theta energy: -25.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.024 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 287
Temperature: 1.350000
Total energy: -428.298203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.298203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.298203 (E_RNA)
where:
Base-Base interactions energy: -205.035
where: short stacking energy: -125.516
Base-Backbone interact. energy: 7.114
local terms energy: -230.376375
where:
bonds (distance) C4'-P energy: -71.046
bonds (distance) P-C4' energy: -57.562
flat angles C4'-P-C4' energy: -60.808
flat angles P-C4'-P energy: -37.099
tors. eta vs tors. theta energy: -3.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 288
Temperature: 0.900000
Total energy: -1405.929256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1405.929256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1405.929256 (E_RNA)
where:
Base-Base interactions energy: -979.828
where: short stacking energy: -408.661
Base-Backbone interact. energy: -0.524
local terms energy: -425.577187
where:
bonds (distance) C4'-P energy: -82.012
bonds (distance) P-C4' energy: -79.340
flat angles C4'-P-C4' energy: -86.916
flat angles P-C4'-P energy: -52.474
tors. eta vs tors. theta energy: -124.835
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: 2, replica: 8
=====================================
Write number: 288
Temperature: 0.950000
Total energy: -1336.143435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1336.143435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1336.143435 (E_RNA)
where:
Base-Base interactions energy: -936.243
where: short stacking energy: -380.750
Base-Backbone interact. energy: -2.424
local terms energy: -397.476548
where:
bonds (distance) C4'-P energy: -65.206
bonds (distance) P-C4' energy: -71.648
flat angles C4'-P-C4' energy: -81.823
flat angles P-C4'-P energy: -56.250
tors. eta vs tors. theta energy: -122.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 288
Temperature: 1.000000
Total energy: -1291.810659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1291.810659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1291.810659 (E_RNA)
where:
Base-Base interactions energy: -920.885
where: short stacking energy: -360.358
Base-Backbone interact. energy: -3.352
local terms energy: -367.573561
where:
bonds (distance) C4'-P energy: -64.855
bonds (distance) P-C4' energy: -70.141
flat angles C4'-P-C4' energy: -85.160
flat angles P-C4'-P energy: -51.417
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: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 288
Temperature: 1.050000
Total energy: -1207.569605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1207.569605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1207.569605 (E_RNA)
where:
Base-Base interactions energy: -844.383
where: short stacking energy: -351.528
Base-Backbone interact. energy: -3.044
local terms energy: -361.526388
where:
bonds (distance) C4'-P energy: -59.522
bonds (distance) P-C4' energy: -74.156
flat angles C4'-P-C4' energy: -78.281
flat angles P-C4'-P energy: -56.036
tors. eta vs tors. theta energy: -93.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.384 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 288
Temperature: 1.100000
Total energy: -1188.741240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1188.741240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1188.741240 (E_RNA)
where:
Base-Base interactions energy: -817.697
where: short stacking energy: -332.966
Base-Backbone interact. energy: 0.573
local terms energy: -371.617292
where:
bonds (distance) C4'-P energy: -68.382
bonds (distance) P-C4' energy: -78.304
flat angles C4'-P-C4' energy: -71.905
flat angles P-C4'-P energy: -52.023
tors. eta vs tors. theta energy: -101.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 288
Temperature: 1.150000
Total energy: -1077.887971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1077.887971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1077.887971 (E_RNA)
where:
Base-Base interactions energy: -739.632
where: short stacking energy: -328.956
Base-Backbone interact. energy: -1.633
local terms energy: -336.623012
where:
bonds (distance) C4'-P energy: -77.541
bonds (distance) P-C4' energy: -57.242
flat angles C4'-P-C4' energy: -78.201
flat angles P-C4'-P energy: -45.610
tors. eta vs tors. theta energy: -78.029
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: 1
=====================================
Write number: 288
Temperature: 1.200000
Total energy: -949.283172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -949.283172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -949.283172 (E_RNA)
where:
Base-Base interactions energy: -607.254
where: short stacking energy: -267.284
Base-Backbone interact. energy: 0.178
local terms energy: -342.206861
where:
bonds (distance) C4'-P energy: -72.953
bonds (distance) P-C4' energy: -74.951
flat angles C4'-P-C4' energy: -73.879
flat angles P-C4'-P energy: -52.173
tors. eta vs tors. theta energy: -68.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 288
Temperature: 1.250000
Total energy: -789.930258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -789.930258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -789.930258 (E_RNA)
where:
Base-Base interactions energy: -516.889
where: short stacking energy: -230.131
Base-Backbone interact. energy: -0.353
local terms energy: -275.175661
where:
bonds (distance) C4'-P energy: -69.572
bonds (distance) P-C4' energy: -56.665
flat angles C4'-P-C4' energy: -69.155
flat angles P-C4'-P energy: -41.336
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: 2.487 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 288
Temperature: 1.300000
Total energy: -613.734677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -613.734677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -613.734677 (E_RNA)
where:
Base-Base interactions energy: -371.872
where: short stacking energy: -155.940
Base-Backbone interact. energy: -1.629
local terms energy: -240.341190
where:
bonds (distance) C4'-P energy: -64.535
bonds (distance) P-C4' energy: -54.999
flat angles C4'-P-C4' energy: -64.694
flat angles P-C4'-P energy: -47.132
tors. eta vs tors. theta energy: -8.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.108 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 288
Temperature: 1.350000
Total energy: -419.835056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.835056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.835056 (E_RNA)
where:
Base-Base interactions energy: -201.372
where: short stacking energy: -113.643
Base-Backbone interact. energy: -0.660
local terms energy: -217.803708
where:
bonds (distance) C4'-P energy: -60.026
bonds (distance) P-C4' energy: -71.376
flat angles C4'-P-C4' energy: -52.470
flat angles P-C4'-P energy: -30.370
tors. eta vs tors. theta energy: -3.563
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: 5
=====================================
Write number: 289
Temperature: 0.900000
Total energy: -1427.885120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1427.885120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1427.885120 (E_RNA)
where:
Base-Base interactions energy: -990.418
where: short stacking energy: -417.715
Base-Backbone interact. energy: -1.735
local terms energy: -435.732192
where:
bonds (distance) C4'-P energy: -64.965
bonds (distance) P-C4' energy: -88.387
flat angles C4'-P-C4' energy: -93.789
flat angles P-C4'-P energy: -64.576
tors. eta vs tors. theta energy: -124.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 289
Temperature: 0.950000
Total energy: -1345.236306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1345.236306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1345.236306 (E_RNA)
where:
Base-Base interactions energy: -924.826
where: short stacking energy: -405.077
Base-Backbone interact. energy: -4.065
local terms energy: -416.344405
where:
bonds (distance) C4'-P energy: -74.508
bonds (distance) P-C4' energy: -70.622
flat angles C4'-P-C4' energy: -85.830
flat angles P-C4'-P energy: -62.387
tors. eta vs tors. theta energy: -122.998
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: 6
=====================================
Write number: 289
Temperature: 1.000000
Total energy: -1264.326016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1264.326016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1264.326016 (E_RNA)
where:
Base-Base interactions energy: -918.113
where: short stacking energy: -345.754
Base-Backbone interact. energy: 0.407
local terms energy: -346.620059
where:
bonds (distance) C4'-P energy: -73.751
bonds (distance) P-C4' energy: -60.917
flat angles C4'-P-C4' energy: -74.441
flat angles P-C4'-P energy: -55.096
tors. eta vs tors. theta energy: -82.415
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: 9
=====================================
Write number: 289
Temperature: 1.050000
Total energy: -1215.602454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1215.602454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1215.602454 (E_RNA)
where:
Base-Base interactions energy: -817.372
where: short stacking energy: -355.590
Base-Backbone interact. energy: -2.463
local terms energy: -395.768130
where:
bonds (distance) C4'-P energy: -79.757
bonds (distance) P-C4' energy: -71.539
flat angles C4'-P-C4' energy: -84.435
flat angles P-C4'-P energy: -49.515
tors. eta vs tors. theta energy: -110.522
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: 3
=====================================
Write number: 289
Temperature: 1.100000
Total energy: -1208.855793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1208.855793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1208.855793 (E_RNA)
where:
Base-Base interactions energy: -820.576
where: short stacking energy: -353.503
Base-Backbone interact. energy: 1.650
local terms energy: -390.267782
where:
bonds (distance) C4'-P energy: -72.011
bonds (distance) P-C4' energy: -74.266
flat angles C4'-P-C4' energy: -84.515
flat angles P-C4'-P energy: -58.365
tors. eta vs tors. theta energy: -101.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.338 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 289
Temperature: 1.150000
Total energy: -1060.661216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1060.661216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1060.661216 (E_RNA)
where:
Base-Base interactions energy: -725.387
where: short stacking energy: -302.859
Base-Backbone interact. energy: 0.330
local terms energy: -335.617718
where:
bonds (distance) C4'-P energy: -61.720
bonds (distance) P-C4' energy: -64.660
flat angles C4'-P-C4' energy: -81.771
flat angles P-C4'-P energy: -46.835
tors. eta vs tors. theta energy: -80.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.014 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 289
Temperature: 1.200000
Total energy: -910.350929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -910.350929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -910.350929 (E_RNA)
where:
Base-Base interactions energy: -609.706
where: short stacking energy: -257.074
Base-Backbone interact. energy: -1.709
local terms energy: -298.935917
where:
bonds (distance) C4'-P energy: -61.205
bonds (distance) P-C4' energy: -56.120
flat angles C4'-P-C4' energy: -72.146
flat angles P-C4'-P energy: -50.149
tors. eta vs tors. theta energy: -59.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 289
Temperature: 1.250000
Total energy: -811.098173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -811.098173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -811.098173 (E_RNA)
where:
Base-Base interactions energy: -529.462
where: short stacking energy: -218.371
Base-Backbone interact. energy: -0.812
local terms energy: -280.824542
where:
bonds (distance) C4'-P energy: -64.194
bonds (distance) P-C4' energy: -69.014
flat angles C4'-P-C4' energy: -63.434
flat angles P-C4'-P energy: -46.327
tors. eta vs tors. theta energy: -37.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 289
Temperature: 1.300000
Total energy: -652.793742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -652.793742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -652.793742 (E_RNA)
where:
Base-Base interactions energy: -378.986
where: short stacking energy: -179.254
Base-Backbone interact. energy: -1.955
local terms energy: -271.852460
where:
bonds (distance) C4'-P energy: -69.709
bonds (distance) P-C4' energy: -66.168
flat angles C4'-P-C4' energy: -74.040
flat angles P-C4'-P energy: -41.851
tors. eta vs tors. theta energy: -20.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 289
Temperature: 1.350000
Total energy: -383.945238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.945238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.945238 (E_RNA)
where:
Base-Base interactions energy: -170.441
where: short stacking energy: -91.234
Base-Backbone interact. energy: -1.854
local terms energy: -211.650199
where:
bonds (distance) C4'-P energy: -54.534
bonds (distance) P-C4' energy: -67.942
flat angles C4'-P-C4' energy: -67.695
flat angles P-C4'-P energy: -32.800
tors. eta vs tors. theta energy: 11.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 290
Temperature: 0.900000
Total energy: -1408.784999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1408.784999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1408.784999 (E_RNA)
where:
Base-Base interactions energy: -1005.863
where: short stacking energy: -415.787
Base-Backbone interact. energy: -2.330
local terms energy: -400.591683
where:
bonds (distance) C4'-P energy: -69.650
bonds (distance) P-C4' energy: -67.006
flat angles C4'-P-C4' energy: -85.832
flat angles P-C4'-P energy: -59.830
tors. eta vs tors. theta energy: -118.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 290
Temperature: 0.950000
Total energy: -1324.819825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1324.819825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1324.819825 (E_RNA)
where:
Base-Base interactions energy: -897.265
where: short stacking energy: -371.690
Base-Backbone interact. energy: -0.975
local terms energy: -426.579940
where:
bonds (distance) C4'-P energy: -78.794
bonds (distance) P-C4' energy: -73.633
flat angles C4'-P-C4' energy: -93.767
flat angles P-C4'-P energy: -62.360
tors. eta vs tors. theta energy: -118.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 290
Temperature: 1.000000
Total energy: -1263.295616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1263.295616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1263.295616 (E_RNA)
where:
Base-Base interactions energy: -894.056
where: short stacking energy: -332.077
Base-Backbone interact. energy: -2.684
local terms energy: -366.555680
where:
bonds (distance) C4'-P energy: -67.140
bonds (distance) P-C4' energy: -72.464
flat angles C4'-P-C4' energy: -78.492
flat angles P-C4'-P energy: -61.241
tors. eta vs tors. theta energy: -87.219
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: 290
Temperature: 1.050000
Total energy: -1192.597614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1192.597614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1192.597614 (E_RNA)
where:
Base-Base interactions energy: -810.388
where: short stacking energy: -338.952
Base-Backbone interact. energy: -1.348
local terms energy: -380.861767
where:
bonds (distance) C4'-P energy: -62.651
bonds (distance) P-C4' energy: -79.214
flat angles C4'-P-C4' energy: -83.085
flat angles P-C4'-P energy: -59.362
tors. eta vs tors. theta energy: -96.550
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: 290
Temperature: 1.100000
Total energy: -1215.963833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1215.963833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1215.963833 (E_RNA)
where:
Base-Base interactions energy: -839.377
where: short stacking energy: -359.443
Base-Backbone interact. energy: -0.723
local terms energy: -375.864242
where:
bonds (distance) C4'-P energy: -82.561
bonds (distance) P-C4' energy: -64.077
flat angles C4'-P-C4' energy: -81.426
flat angles P-C4'-P energy: -45.618
tors. eta vs tors. theta energy: -102.183
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: 6, replica: 7
=====================================
Write number: 290
Temperature: 1.150000
Total energy: -1037.328885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1037.328885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1037.328885 (E_RNA)
where:
Base-Base interactions energy: -717.844
where: short stacking energy: -314.240
Base-Backbone interact. energy: -2.608
local terms energy: -316.877680
where:
bonds (distance) C4'-P energy: -56.297
bonds (distance) P-C4' energy: -78.009
flat angles C4'-P-C4' energy: -70.009
flat angles P-C4'-P energy: -30.983
tors. eta vs tors. theta energy: -81.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 290
Temperature: 1.200000
Total energy: -923.043402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -923.043402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -923.043402 (E_RNA)
where:
Base-Base interactions energy: -619.170
where: short stacking energy: -265.333
Base-Backbone interact. energy: -0.655
local terms energy: -303.217865
where:
bonds (distance) C4'-P energy: -64.778
bonds (distance) P-C4' energy: -67.023
flat angles C4'-P-C4' energy: -62.913
flat angles P-C4'-P energy: -38.880
tors. eta vs tors. theta energy: -69.624
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: 290
Temperature: 1.250000
Total energy: -807.637282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -807.637282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -807.637282 (E_RNA)
where:
Base-Base interactions energy: -544.369
where: short stacking energy: -231.704
Base-Backbone interact. energy: -0.743
local terms energy: -262.526257
where:
bonds (distance) C4'-P energy: -60.525
bonds (distance) P-C4' energy: -56.076
flat angles C4'-P-C4' energy: -56.963
flat angles P-C4'-P energy: -40.141
tors. eta vs tors. theta energy: -48.821
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: 290
Temperature: 1.300000
Total energy: -655.328811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -655.328811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -655.328811 (E_RNA)
where:
Base-Base interactions energy: -408.458
where: short stacking energy: -181.287
Base-Backbone interact. energy: 0.041
local terms energy: -246.911752
where:
bonds (distance) C4'-P energy: -73.311
bonds (distance) P-C4' energy: -65.467
flat angles C4'-P-C4' energy: -53.709
flat angles P-C4'-P energy: -39.927
tors. eta vs tors. theta energy: -14.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 290
Temperature: 1.350000
Total energy: -455.189574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.189574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.189574 (E_RNA)
where:
Base-Base interactions energy: -225.983
where: short stacking energy: -140.504
Base-Backbone interact. energy: 0.890
local terms energy: -230.096454
where:
bonds (distance) C4'-P energy: -76.077
bonds (distance) P-C4' energy: -55.608
flat angles C4'-P-C4' energy: -52.731
flat angles P-C4'-P energy: -45.556
tors. eta vs tors. theta energy: -0.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 291
Temperature: 0.900000
Total energy: -1408.339934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1408.339934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1408.339934 (E_RNA)
where:
Base-Base interactions energy: -997.824
where: short stacking energy: -415.855
Base-Backbone interact. energy: -0.534
local terms energy: -409.982118
where:
bonds (distance) C4'-P energy: -70.397
bonds (distance) P-C4' energy: -78.029
flat angles C4'-P-C4' energy: -86.269
flat angles P-C4'-P energy: -52.307
tors. eta vs tors. theta energy: -122.980
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: 2, replica: 8
=====================================
Write number: 291
Temperature: 0.950000
Total energy: -1355.604987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1355.604987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1355.604987 (E_RNA)
where:
Base-Base interactions energy: -941.112
where: short stacking energy: -393.916
Base-Backbone interact. energy: -3.615
local terms energy: -410.877852
where:
bonds (distance) C4'-P energy: -72.494
bonds (distance) P-C4' energy: -64.039
flat angles C4'-P-C4' energy: -80.060
flat angles P-C4'-P energy: -67.572
tors. eta vs tors. theta energy: -126.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 291
Temperature: 1.000000
Total energy: -1268.947145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1268.947145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1268.947145 (E_RNA)
where:
Base-Base interactions energy: -901.063
where: short stacking energy: -339.138
Base-Backbone interact. energy: -2.877
local terms energy: -365.006770
where:
bonds (distance) C4'-P energy: -78.471
bonds (distance) P-C4' energy: -63.906
flat angles C4'-P-C4' energy: -80.069
flat angles P-C4'-P energy: -51.208
tors. eta vs tors. theta energy: -91.352
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: 291
Temperature: 1.050000
Total energy: -1200.017949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1200.017949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1200.017949 (E_RNA)
where:
Base-Base interactions energy: -818.188
where: short stacking energy: -351.198
Base-Backbone interact. energy: -2.709
local terms energy: -379.121736
where:
bonds (distance) C4'-P energy: -60.262
bonds (distance) P-C4' energy: -80.945
flat angles C4'-P-C4' energy: -90.316
flat angles P-C4'-P energy: -51.604
tors. eta vs tors. theta energy: -95.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 291
Temperature: 1.100000
Total energy: -1188.162972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1188.162972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1188.162972 (E_RNA)
where:
Base-Base interactions energy: -830.894
where: short stacking energy: -329.447
Base-Backbone interact. energy: -0.504
local terms energy: -356.764644
where:
bonds (distance) C4'-P energy: -48.818
bonds (distance) P-C4' energy: -70.284
flat angles C4'-P-C4' energy: -80.844
flat angles P-C4'-P energy: -60.394
tors. eta vs tors. theta energy: -96.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 291
Temperature: 1.150000
Total energy: -1097.968287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1097.968287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1097.968287 (E_RNA)
where:
Base-Base interactions energy: -758.003
where: short stacking energy: -318.354
Base-Backbone interact. energy: 3.215
local terms energy: -343.180237
where:
bonds (distance) C4'-P energy: -74.259
bonds (distance) P-C4' energy: -64.503
flat angles C4'-P-C4' energy: -65.021
flat angles P-C4'-P energy: -42.625
tors. eta vs tors. theta energy: -96.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 291
Temperature: 1.200000
Total energy: -934.214056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -934.214056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -934.214056 (E_RNA)
where:
Base-Base interactions energy: -605.548
where: short stacking energy: -263.625
Base-Backbone interact. energy: -1.190
local terms energy: -327.476019
where:
bonds (distance) C4'-P energy: -61.439
bonds (distance) P-C4' energy: -71.415
flat angles C4'-P-C4' energy: -70.125
flat angles P-C4'-P energy: -48.414
tors. eta vs tors. theta energy: -76.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 291
Temperature: 1.250000
Total energy: -806.548536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -806.548536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -806.548536 (E_RNA)
where:
Base-Base interactions energy: -516.038
where: short stacking energy: -249.539
Base-Backbone interact. energy: 1.557
local terms energy: -292.067502
where:
bonds (distance) C4'-P energy: -60.090
bonds (distance) P-C4' energy: -69.528
flat angles C4'-P-C4' energy: -71.934
flat angles P-C4'-P energy: -37.979
tors. eta vs tors. theta energy: -52.536
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: 2
=====================================
Write number: 291
Temperature: 1.300000
Total energy: -653.372160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -653.372160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -653.372160 (E_RNA)
where:
Base-Base interactions energy: -419.934
where: short stacking energy: -184.792
Base-Backbone interact. energy: -0.644
local terms energy: -232.793604
where:
bonds (distance) C4'-P energy: -58.143
bonds (distance) P-C4' energy: -48.661
flat angles C4'-P-C4' energy: -66.366
flat angles P-C4'-P energy: -37.184
tors. eta vs tors. theta energy: -22.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 291
Temperature: 1.350000
Total energy: -406.519804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.519804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.519804 (E_RNA)
where:
Base-Base interactions energy: -201.947
where: short stacking energy: -107.179
Base-Backbone interact. energy: 3.167
local terms energy: -207.739553
where:
bonds (distance) C4'-P energy: -60.022
bonds (distance) P-C4' energy: -73.949
flat angles C4'-P-C4' energy: -53.538
flat angles P-C4'-P energy: -29.911
tors. eta vs tors. theta energy: 9.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 292
Temperature: 0.900000
Total energy: -1421.414563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1421.414563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1421.414563 (E_RNA)
where:
Base-Base interactions energy: -990.334
where: short stacking energy: -414.624
Base-Backbone interact. energy: -1.777
local terms energy: -429.303480
where:
bonds (distance) C4'-P energy: -86.645
bonds (distance) P-C4' energy: -78.158
flat angles C4'-P-C4' energy: -91.438
flat angles P-C4'-P energy: -49.376
tors. eta vs tors. theta energy: -123.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 292
Temperature: 0.950000
Total energy: -1357.356087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1357.356087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1357.356087 (E_RNA)
where:
Base-Base interactions energy: -935.669
where: short stacking energy: -410.939
Base-Backbone interact. energy: -3.936
local terms energy: -417.750628
where:
bonds (distance) C4'-P energy: -73.934
bonds (distance) P-C4' energy: -79.750
flat angles C4'-P-C4' energy: -83.362
flat angles P-C4'-P energy: -54.425
tors. eta vs tors. theta energy: -126.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 292
Temperature: 1.000000
Total energy: -1260.773384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1260.773384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1260.773384 (E_RNA)
where:
Base-Base interactions energy: -886.499
where: short stacking energy: -360.945
Base-Backbone interact. energy: -2.423
local terms energy: -371.851476
where:
bonds (distance) C4'-P energy: -73.660
bonds (distance) P-C4' energy: -70.193
flat angles C4'-P-C4' energy: -74.164
flat angles P-C4'-P energy: -55.987
tors. eta vs tors. theta energy: -97.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 292
Temperature: 1.050000
Total energy: -1175.408354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1175.408354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1175.408354 (E_RNA)
where:
Base-Base interactions energy: -824.536
where: short stacking energy: -352.045
Base-Backbone interact. energy: -0.314
local terms energy: -350.558514
where:
bonds (distance) C4'-P energy: -66.910
bonds (distance) P-C4' energy: -76.572
flat angles C4'-P-C4' energy: -71.189
flat angles P-C4'-P energy: -37.085
tors. eta vs tors. theta energy: -98.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 292
Temperature: 1.100000
Total energy: -1193.595194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1193.595194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1193.595194 (E_RNA)
where:
Base-Base interactions energy: -810.933
where: short stacking energy: -356.153
Base-Backbone interact. energy: -1.200
local terms energy: -381.461519
where:
bonds (distance) C4'-P energy: -75.345
bonds (distance) P-C4' energy: -77.624
flat angles C4'-P-C4' energy: -77.013
flat angles P-C4'-P energy: -53.623
tors. eta vs tors. theta energy: -97.857
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: 7
=====================================
Write number: 292
Temperature: 1.150000
Total energy: -1043.014268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1043.014268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1043.014268 (E_RNA)
where:
Base-Base interactions energy: -704.590
where: short stacking energy: -280.934
Base-Backbone interact. energy: -1.599
local terms energy: -336.825311
where:
bonds (distance) C4'-P energy: -72.499
bonds (distance) P-C4' energy: -68.169
flat angles C4'-P-C4' energy: -78.474
flat angles P-C4'-P energy: -47.158
tors. eta vs tors. theta energy: -70.525
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: 1
=====================================
Write number: 292
Temperature: 1.200000
Total energy: -889.161487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -889.161487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -889.161487 (E_RNA)
where:
Base-Base interactions energy: -576.921
where: short stacking energy: -267.965
Base-Backbone interact. energy: 0.113
local terms energy: -312.352994
where:
bonds (distance) C4'-P energy: -67.531
bonds (distance) P-C4' energy: -53.326
flat angles C4'-P-C4' energy: -72.792
flat angles P-C4'-P energy: -51.356
tors. eta vs tors. theta energy: -67.347
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: 10
=====================================
Write number: 292
Temperature: 1.250000
Total energy: -847.681019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -847.681019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -847.681019 (E_RNA)
where:
Base-Base interactions energy: -532.902
where: short stacking energy: -247.387
Base-Backbone interact. energy: 1.772
local terms energy: -316.550551
where:
bonds (distance) C4'-P energy: -76.605
bonds (distance) P-C4' energy: -63.824
flat angles C4'-P-C4' energy: -73.256
flat angles P-C4'-P energy: -43.373
tors. eta vs tors. theta energy: -59.494
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: 2
=====================================
Write number: 292
Temperature: 1.300000
Total energy: -685.613860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -685.613860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -685.613860 (E_RNA)
where:
Base-Base interactions energy: -406.582
where: short stacking energy: -185.342
Base-Backbone interact. energy: 0.772
local terms energy: -279.803510
where:
bonds (distance) C4'-P energy: -75.419
bonds (distance) P-C4' energy: -59.874
flat angles C4'-P-C4' energy: -70.574
flat angles P-C4'-P energy: -33.036
tors. eta vs tors. theta energy: -40.901
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: 292
Temperature: 1.350000
Total energy: -427.200105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.200105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.200105 (E_RNA)
where:
Base-Base interactions energy: -229.785
where: short stacking energy: -127.546
Base-Backbone interact. energy: -1.149
local terms energy: -196.266108
where:
bonds (distance) C4'-P energy: -57.546
bonds (distance) P-C4' energy: -62.331
flat angles C4'-P-C4' energy: -38.965
flat angles P-C4'-P energy: -37.626
tors. eta vs tors. theta energy: 0.202
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: 1, replica: 5
=====================================
Write number: 293
Temperature: 0.900000
Total energy: -1403.763658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1403.763658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1403.763658 (E_RNA)
where:
Base-Base interactions energy: -1002.523
where: short stacking energy: -404.469
Base-Backbone interact. energy: 1.651
local terms energy: -402.891625
where:
bonds (distance) C4'-P energy: -69.488
bonds (distance) P-C4' energy: -76.293
flat angles C4'-P-C4' energy: -83.635
flat angles P-C4'-P energy: -56.348
tors. eta vs tors. theta energy: -117.127
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: 8
=====================================
Write number: 293
Temperature: 0.950000
Total energy: -1350.065912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1350.065912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1350.065912 (E_RNA)
where:
Base-Base interactions energy: -939.919
where: short stacking energy: -403.764
Base-Backbone interact. energy: -1.147
local terms energy: -409.000310
where:
bonds (distance) C4'-P energy: -70.543
bonds (distance) P-C4' energy: -81.393
flat angles C4'-P-C4' energy: -77.893
flat angles P-C4'-P energy: -58.273
tors. eta vs tors. theta energy: -120.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 293
Temperature: 1.000000
Total energy: -1279.333042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1279.333042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1279.333042 (E_RNA)
where:
Base-Base interactions energy: -918.460
where: short stacking energy: -353.193
Base-Backbone interact. energy: -2.795
local terms energy: -358.077966
where:
bonds (distance) C4'-P energy: -64.711
bonds (distance) P-C4' energy: -65.859
flat angles C4'-P-C4' energy: -82.011
flat angles P-C4'-P energy: -51.971
tors. eta vs tors. theta energy: -93.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 293
Temperature: 1.050000
Total energy: -1189.342706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1189.342706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1189.342706 (E_RNA)
where:
Base-Base interactions energy: -815.959
where: short stacking energy: -350.478
Base-Backbone interact. energy: -1.791
local terms energy: -371.592439
where:
bonds (distance) C4'-P energy: -63.306
bonds (distance) P-C4' energy: -79.814
flat angles C4'-P-C4' energy: -72.573
flat angles P-C4'-P energy: -58.143
tors. eta vs tors. theta energy: -97.757
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: 5, replica: 3
=====================================
Write number: 293
Temperature: 1.100000
Total energy: -1216.594669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1216.594669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1216.594669 (E_RNA)
where:
Base-Base interactions energy: -828.846
where: short stacking energy: -355.108
Base-Backbone interact. energy: 0.729
local terms energy: -388.478086
where:
bonds (distance) C4'-P energy: -69.267
bonds (distance) P-C4' energy: -81.703
flat angles C4'-P-C4' energy: -76.330
flat angles P-C4'-P energy: -58.723
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: 6, replica: 7
=====================================
Write number: 293
Temperature: 1.150000
Total energy: -1076.040706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1076.040706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1076.040706 (E_RNA)
where:
Base-Base interactions energy: -726.376
where: short stacking energy: -321.360
Base-Backbone interact. energy: -0.855
local terms energy: -348.809853
where:
bonds (distance) C4'-P energy: -73.296
bonds (distance) P-C4' energy: -72.846
flat angles C4'-P-C4' energy: -66.156
flat angles P-C4'-P energy: -46.766
tors. eta vs tors. theta energy: -89.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 293
Temperature: 1.200000
Total energy: -922.151685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -922.151685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -922.151685 (E_RNA)
where:
Base-Base interactions energy: -587.555
where: short stacking energy: -277.429
Base-Backbone interact. energy: -1.304
local terms energy: -333.293064
where:
bonds (distance) C4'-P energy: -70.570
bonds (distance) P-C4' energy: -71.756
flat angles C4'-P-C4' energy: -79.156
flat angles P-C4'-P energy: -47.483
tors. eta vs tors. theta energy: -64.328
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: 10
=====================================
Write number: 293
Temperature: 1.250000
Total energy: -829.124624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -829.124624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -829.124624 (E_RNA)
where:
Base-Base interactions energy: -550.838
where: short stacking energy: -251.337
Base-Backbone interact. energy: -2.333
local terms energy: -275.954322
where:
bonds (distance) C4'-P energy: -52.738
bonds (distance) P-C4' energy: -61.446
flat angles C4'-P-C4' energy: -72.598
flat angles P-C4'-P energy: -32.098
tors. eta vs tors. theta energy: -57.074
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: 293
Temperature: 1.300000
Total energy: -614.646916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -614.646916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -614.646916 (E_RNA)
where:
Base-Base interactions energy: -376.402
where: short stacking energy: -185.013
Base-Backbone interact. energy: 1.236
local terms energy: -239.480564
where:
bonds (distance) C4'-P energy: -65.549
bonds (distance) P-C4' energy: -53.780
flat angles C4'-P-C4' energy: -66.715
flat angles P-C4'-P energy: -28.161
tors. eta vs tors. theta energy: -25.276
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: 4
=====================================
Write number: 293
Temperature: 1.350000
Total energy: -405.966594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.966594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.966594 (E_RNA)
where:
Base-Base interactions energy: -197.891
where: short stacking energy: -115.665
Base-Backbone interact. energy: -1.640
local terms energy: -206.435913
where:
bonds (distance) C4'-P energy: -64.458
bonds (distance) P-C4' energy: -56.638
flat angles C4'-P-C4' energy: -47.248
flat angles P-C4'-P energy: -40.479
tors. eta vs tors. theta energy: 2.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 294
Temperature: 0.900000
Total energy: -1415.401877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1415.401877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1415.401877 (E_RNA)
where:
Base-Base interactions energy: -989.624
where: short stacking energy: -406.213
Base-Backbone interact. energy: -3.523
local terms energy: -422.254699
where:
bonds (distance) C4'-P energy: -80.546
bonds (distance) P-C4' energy: -87.770
flat angles C4'-P-C4' energy: -87.921
flat angles P-C4'-P energy: -50.612
tors. eta vs tors. theta energy: -115.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 294
Temperature: 0.950000
Total energy: -1339.343611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1339.343611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1339.343611 (E_RNA)
where:
Base-Base interactions energy: -927.844
where: short stacking energy: -419.313
Base-Backbone interact. energy: -0.105
local terms energy: -411.394469
where:
bonds (distance) C4'-P energy: -72.950
bonds (distance) P-C4' energy: -82.203
flat angles C4'-P-C4' energy: -81.475
flat angles P-C4'-P energy: -47.327
tors. eta vs tors. theta energy: -127.439
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: 6
=====================================
Write number: 294
Temperature: 1.000000
Total energy: -1255.207427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1255.207427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1255.207427 (E_RNA)
where:
Base-Base interactions energy: -883.557
where: short stacking energy: -339.934
Base-Backbone interact. energy: -0.516
local terms energy: -371.134737
where:
bonds (distance) C4'-P energy: -75.496
bonds (distance) P-C4' energy: -72.116
flat angles C4'-P-C4' energy: -78.000
flat angles P-C4'-P energy: -53.049
tors. eta vs tors. theta energy: -92.474
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: 9
=====================================
Write number: 294
Temperature: 1.050000
Total energy: -1212.277780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1212.277780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1212.277780 (E_RNA)
where:
Base-Base interactions energy: -824.410
where: short stacking energy: -354.891
Base-Backbone interact. energy: -0.634
local terms energy: -387.233778
where:
bonds (distance) C4'-P energy: -66.644
bonds (distance) P-C4' energy: -74.600
flat angles C4'-P-C4' energy: -79.327
flat angles P-C4'-P energy: -57.984
tors. eta vs tors. theta energy: -108.679
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: 294
Temperature: 1.100000
Total energy: -1171.749273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1171.749273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1171.749273 (E_RNA)
where:
Base-Base interactions energy: -816.082
where: short stacking energy: -331.348
Base-Backbone interact. energy: -2.364
local terms energy: -353.302855
where:
bonds (distance) C4'-P energy: -71.038
bonds (distance) P-C4' energy: -75.116
flat angles C4'-P-C4' energy: -81.922
flat angles P-C4'-P energy: -38.706
tors. eta vs tors. theta energy: -86.521
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: 6, replica: 7
=====================================
Write number: 294
Temperature: 1.150000
Total energy: -1097.778339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1097.778339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1097.778339 (E_RNA)
where:
Base-Base interactions energy: -758.083
where: short stacking energy: -323.357
Base-Backbone interact. energy: 0.739
local terms energy: -340.433999
where:
bonds (distance) C4'-P energy: -57.984
bonds (distance) P-C4' energy: -73.251
flat angles C4'-P-C4' energy: -72.713
flat angles P-C4'-P energy: -51.517
tors. eta vs tors. theta energy: -84.969
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: 7, replica: 1
=====================================
Write number: 294
Temperature: 1.200000
Total energy: -914.572955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -914.572955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -914.572955 (E_RNA)
where:
Base-Base interactions energy: -608.711
where: short stacking energy: -258.777
Base-Backbone interact. energy: -2.663
local terms energy: -303.198569
where:
bonds (distance) C4'-P energy: -61.375
bonds (distance) P-C4' energy: -67.188
flat angles C4'-P-C4' energy: -61.735
flat angles P-C4'-P energy: -41.545
tors. eta vs tors. theta energy: -71.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 294
Temperature: 1.250000
Total energy: -834.885313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -834.885313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -834.885313 (E_RNA)
where:
Base-Base interactions energy: -536.086
where: short stacking energy: -236.996
Base-Backbone interact. energy: -0.048
local terms energy: -298.751705
where:
bonds (distance) C4'-P energy: -74.934
bonds (distance) P-C4' energy: -59.817
flat angles C4'-P-C4' energy: -52.780
flat angles P-C4'-P energy: -62.822
tors. eta vs tors. theta energy: -48.399
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: 9, replica: 2
=====================================
Write number: 294
Temperature: 1.300000
Total energy: -603.147517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -603.147517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -603.147517 (E_RNA)
where:
Base-Base interactions energy: -364.840
where: short stacking energy: -183.823
Base-Backbone interact. energy: -1.570
local terms energy: -236.737201
where:
bonds (distance) C4'-P energy: -54.769
bonds (distance) P-C4' energy: -64.638
flat angles C4'-P-C4' energy: -59.191
flat angles P-C4'-P energy: -31.935
tors. eta vs tors. theta energy: -26.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 294
Temperature: 1.350000
Total energy: -427.488139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.488139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.488139 (E_RNA)
where:
Base-Base interactions energy: -210.116
where: short stacking energy: -107.113
Base-Backbone interact. energy: 0.916
local terms energy: -218.287783
where:
bonds (distance) C4'-P energy: -65.213
bonds (distance) P-C4' energy: -56.284
flat angles C4'-P-C4' energy: -70.309
flat angles P-C4'-P energy: -27.254
tors. eta vs tors. theta energy: 0.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 295
Temperature: 0.900000
Total energy: -1415.360976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1415.360976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1415.360976 (E_RNA)
where:
Base-Base interactions energy: -996.346
where: short stacking energy: -422.244
Base-Backbone interact. energy: -1.219
local terms energy: -417.795626
where:
bonds (distance) C4'-P energy: -66.122
bonds (distance) P-C4' energy: -78.007
flat angles C4'-P-C4' energy: -91.412
flat angles P-C4'-P energy: -60.165
tors. eta vs tors. theta energy: -122.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 295
Temperature: 0.950000
Total energy: -1342.231860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1342.231860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1342.231860 (E_RNA)
where:
Base-Base interactions energy: -923.568
where: short stacking energy: -400.739
Base-Backbone interact. energy: -0.531
local terms energy: -418.132954
where:
bonds (distance) C4'-P energy: -65.729
bonds (distance) P-C4' energy: -84.764
flat angles C4'-P-C4' energy: -85.622
flat angles P-C4'-P energy: -60.463
tors. eta vs tors. theta energy: -121.556
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: 6
=====================================
Write number: 295
Temperature: 1.000000
Total energy: -1283.460173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1283.460173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1283.460173 (E_RNA)
where:
Base-Base interactions energy: -894.715
where: short stacking energy: -355.195
Base-Backbone interact. energy: -2.731
local terms energy: -386.014330
where:
bonds (distance) C4'-P energy: -75.728
bonds (distance) P-C4' energy: -82.260
flat angles C4'-P-C4' energy: -81.179
flat angles P-C4'-P energy: -47.264
tors. eta vs tors. theta energy: -99.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 295
Temperature: 1.050000
Total energy: -1198.452919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1198.452919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1198.452919 (E_RNA)
where:
Base-Base interactions energy: -830.459
where: short stacking energy: -343.485
Base-Backbone interact. energy: -2.591
local terms energy: -365.402870
where:
bonds (distance) C4'-P energy: -72.789
bonds (distance) P-C4' energy: -69.450
flat angles C4'-P-C4' energy: -76.991
flat angles P-C4'-P energy: -53.723
tors. eta vs tors. theta energy: -92.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 295
Temperature: 1.100000
Total energy: -1205.780209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1205.780209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1205.780209 (E_RNA)
where:
Base-Base interactions energy: -851.389
where: short stacking energy: -380.417
Base-Backbone interact. energy: -1.639
local terms energy: -352.752145
where:
bonds (distance) C4'-P energy: -62.172
bonds (distance) P-C4' energy: -62.819
flat angles C4'-P-C4' energy: -75.371
flat angles P-C4'-P energy: -49.128
tors. eta vs tors. theta energy: -103.263
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: 7
=====================================
Write number: 295
Temperature: 1.150000
Total energy: -1116.303890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1116.303890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1116.303890 (E_RNA)
where:
Base-Base interactions energy: -779.012
where: short stacking energy: -356.988
Base-Backbone interact. energy: -1.193
local terms energy: -336.098354
where:
bonds (distance) C4'-P energy: -54.307
bonds (distance) P-C4' energy: -59.182
flat angles C4'-P-C4' energy: -80.465
flat angles P-C4'-P energy: -45.584
tors. eta vs tors. theta energy: -96.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 295
Temperature: 1.200000
Total energy: -910.438554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -910.438554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -910.438554 (E_RNA)
where:
Base-Base interactions energy: -605.990
where: short stacking energy: -279.181
Base-Backbone interact. energy: -1.684
local terms energy: -302.763971
where:
bonds (distance) C4'-P energy: -70.897
bonds (distance) P-C4' energy: -59.330
flat angles C4'-P-C4' energy: -55.063
flat angles P-C4'-P energy: -43.417
tors. eta vs tors. theta energy: -74.056
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: 8, replica: 10
=====================================
Write number: 295
Temperature: 1.250000
Total energy: -860.914071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -860.914071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -860.914071 (E_RNA)
where:
Base-Base interactions energy: -563.599
where: short stacking energy: -254.279
Base-Backbone interact. energy: -0.844
local terms energy: -297.486419
where:
bonds (distance) C4'-P energy: -55.417
bonds (distance) P-C4' energy: -73.551
flat angles C4'-P-C4' energy: -65.006
flat angles P-C4'-P energy: -43.931
tors. eta vs tors. theta energy: -59.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.016 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 295
Temperature: 1.300000
Total energy: -591.536916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -591.536916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -591.536916 (E_RNA)
where:
Base-Base interactions energy: -379.164
where: short stacking energy: -170.453
Base-Backbone interact. energy: -2.087
local terms energy: -210.285826
where:
bonds (distance) C4'-P energy: -56.683
bonds (distance) P-C4' energy: -63.003
flat angles C4'-P-C4' energy: -49.785
flat angles P-C4'-P energy: -21.520
tors. eta vs tors. theta energy: -19.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 295
Temperature: 1.350000
Total energy: -534.317251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.317251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.317251 (E_RNA)
where:
Base-Base interactions energy: -298.738
where: short stacking energy: -163.585
Base-Backbone interact. energy: 1.416
local terms energy: -237.597295
where:
bonds (distance) C4'-P energy: -51.900
bonds (distance) P-C4' energy: -63.641
flat angles C4'-P-C4' energy: -58.194
flat angles P-C4'-P energy: -35.084
tors. eta vs tors. theta energy: -28.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.602 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 296
Temperature: 0.900000
Total energy: -1417.256256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1417.256256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1417.256256 (E_RNA)
where:
Base-Base interactions energy: -985.111
where: short stacking energy: -397.004
Base-Backbone interact. energy: -1.210
local terms energy: -430.934814
where:
bonds (distance) C4'-P energy: -81.295
bonds (distance) P-C4' energy: -75.002
flat angles C4'-P-C4' energy: -92.443
flat angles P-C4'-P energy: -59.244
tors. eta vs tors. theta energy: -122.950
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: 8
=====================================
Write number: 296
Temperature: 0.950000
Total energy: -1365.384838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1365.384838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1365.384838 (E_RNA)
where:
Base-Base interactions energy: -946.146
where: short stacking energy: -399.464
Base-Backbone interact. energy: -1.588
local terms energy: -417.650645
where:
bonds (distance) C4'-P energy: -74.584
bonds (distance) P-C4' energy: -71.799
flat angles C4'-P-C4' energy: -94.063
flat angles P-C4'-P energy: -58.461
tors. eta vs tors. theta energy: -118.744
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: 3, replica: 6
=====================================
Write number: 296
Temperature: 1.000000
Total energy: -1279.425936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1279.425936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1279.425936 (E_RNA)
where:
Base-Base interactions energy: -924.600
where: short stacking energy: -372.306
Base-Backbone interact. energy: -1.758
local terms energy: -353.067265
where:
bonds (distance) C4'-P energy: -76.622
bonds (distance) P-C4' energy: -62.113
flat angles C4'-P-C4' energy: -76.477
flat angles P-C4'-P energy: -40.292
tors. eta vs tors. theta energy: -97.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 296
Temperature: 1.050000
Total energy: -1178.408399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1178.408399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1178.408399 (E_RNA)
where:
Base-Base interactions energy: -807.835
where: short stacking energy: -324.711
Base-Backbone interact. energy: -1.443
local terms energy: -369.130331
where:
bonds (distance) C4'-P energy: -66.079
bonds (distance) P-C4' energy: -71.780
flat angles C4'-P-C4' energy: -83.173
flat angles P-C4'-P energy: -60.708
tors. eta vs tors. theta energy: -87.391
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: 3
=====================================
Write number: 296
Temperature: 1.100000
Total energy: -1189.782775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1189.782775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1189.782775 (E_RNA)
where:
Base-Base interactions energy: -866.366
where: short stacking energy: -332.699
Base-Backbone interact. energy: -2.047
local terms energy: -321.370212
where:
bonds (distance) C4'-P energy: -58.273
bonds (distance) P-C4' energy: -64.300
flat angles C4'-P-C4' energy: -70.907
flat angles P-C4'-P energy: -42.537
tors. eta vs tors. theta energy: -85.353
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: 6, replica: 7
=====================================
Write number: 296
Temperature: 1.150000
Total energy: -1114.672534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1114.672534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1114.672534 (E_RNA)
where:
Base-Base interactions energy: -771.941
where: short stacking energy: -319.834
Base-Backbone interact. energy: 2.211
local terms energy: -344.942776
where:
bonds (distance) C4'-P energy: -67.623
bonds (distance) P-C4' energy: -71.525
flat angles C4'-P-C4' energy: -65.193
flat angles P-C4'-P energy: -54.644
tors. eta vs tors. theta energy: -85.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 296
Temperature: 1.200000
Total energy: -904.934913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -904.934913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -904.934913 (E_RNA)
where:
Base-Base interactions energy: -598.543
where: short stacking energy: -280.235
Base-Backbone interact. energy: -3.257
local terms energy: -303.135078
where:
bonds (distance) C4'-P energy: -58.435
bonds (distance) P-C4' energy: -66.198
flat angles C4'-P-C4' energy: -62.663
flat angles P-C4'-P energy: -38.451
tors. eta vs tors. theta energy: -77.388
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: 8, replica: 10
=====================================
Write number: 296
Temperature: 1.250000
Total energy: -801.888610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -801.888610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -801.888610 (E_RNA)
where:
Base-Base interactions energy: -535.846
where: short stacking energy: -249.195
Base-Backbone interact. energy: 0.441
local terms energy: -266.483137
where:
bonds (distance) C4'-P energy: -53.593
bonds (distance) P-C4' energy: -51.515
flat angles C4'-P-C4' energy: -56.429
flat angles P-C4'-P energy: -54.263
tors. eta vs tors. theta energy: -50.682
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: 9, replica: 2
=====================================
Write number: 296
Temperature: 1.300000
Total energy: -577.654412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -577.654412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -577.654412 (E_RNA)
where:
Base-Base interactions energy: -336.687
where: short stacking energy: -166.578
Base-Backbone interact. energy: -2.227
local terms energy: -238.740136
where:
bonds (distance) C4'-P energy: -47.986
bonds (distance) P-C4' energy: -60.101
flat angles C4'-P-C4' energy: -68.770
flat angles P-C4'-P energy: -38.247
tors. eta vs tors. theta energy: -23.636
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: 4
=====================================
Write number: 296
Temperature: 1.350000
Total energy: -518.849299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.849299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.849299 (E_RNA)
where:
Base-Base interactions energy: -286.659
where: short stacking energy: -133.150
Base-Backbone interact. energy: -0.065
local terms energy: -232.125309
where:
bonds (distance) C4'-P energy: -51.503
bonds (distance) P-C4' energy: -67.614
flat angles C4'-P-C4' energy: -64.508
flat angles P-C4'-P energy: -44.474
tors. eta vs tors. theta energy: -4.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 297
Temperature: 0.900000
Total energy: -1413.822901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1413.822901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1413.822901 (E_RNA)
where:
Base-Base interactions energy: -977.076
where: short stacking energy: -404.551
Base-Backbone interact. energy: -0.260
local terms energy: -436.487082
where:
bonds (distance) C4'-P energy: -79.209
bonds (distance) P-C4' energy: -85.270
flat angles C4'-P-C4' energy: -94.313
flat angles P-C4'-P energy: -56.841
tors. eta vs tors. theta energy: -120.855
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: 8
=====================================
Write number: 297
Temperature: 0.950000
Total energy: -1351.652403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1351.652403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1351.652403 (E_RNA)
where:
Base-Base interactions energy: -944.568
where: short stacking energy: -406.310
Base-Backbone interact. energy: 2.567
local terms energy: -409.651811
where:
bonds (distance) C4'-P energy: -71.060
bonds (distance) P-C4' energy: -73.171
flat angles C4'-P-C4' energy: -85.266
flat angles P-C4'-P energy: -56.515
tors. eta vs tors. theta energy: -123.641
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: 6
=====================================
Write number: 297
Temperature: 1.000000
Total energy: -1278.793280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1278.793280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1278.793280 (E_RNA)
where:
Base-Base interactions energy: -896.746
where: short stacking energy: -354.302
Base-Backbone interact. energy: -1.936
local terms energy: -380.111518
where:
bonds (distance) C4'-P energy: -65.748
bonds (distance) P-C4' energy: -81.193
flat angles C4'-P-C4' energy: -81.177
flat angles P-C4'-P energy: -54.357
tors. eta vs tors. theta energy: -97.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 297
Temperature: 1.050000
Total energy: -1196.550413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1196.550413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1196.550413 (E_RNA)
where:
Base-Base interactions energy: -839.428
where: short stacking energy: -339.987
Base-Backbone interact. energy: -0.812
local terms energy: -356.309867
where:
bonds (distance) C4'-P energy: -64.102
bonds (distance) P-C4' energy: -72.322
flat angles C4'-P-C4' energy: -77.023
flat angles P-C4'-P energy: -52.100
tors. eta vs tors. theta energy: -90.763
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: 5, replica: 9
=====================================
Write number: 297
Temperature: 1.100000
Total energy: -1167.049447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1167.049447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1167.049447 (E_RNA)
where:
Base-Base interactions energy: -816.292
where: short stacking energy: -355.056
Base-Backbone interact. energy: 0.504
local terms energy: -351.261669
where:
bonds (distance) C4'-P energy: -68.370
bonds (distance) P-C4' energy: -67.084
flat angles C4'-P-C4' energy: -72.748
flat angles P-C4'-P energy: -42.926
tors. eta vs tors. theta energy: -100.133
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: 7
=====================================
Write number: 297
Temperature: 1.150000
Total energy: -1132.644402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1132.644402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1132.644402 (E_RNA)
where:
Base-Base interactions energy: -768.556
where: short stacking energy: -337.726
Base-Backbone interact. energy: 1.455
local terms energy: -365.543408
where:
bonds (distance) C4'-P energy: -68.688
bonds (distance) P-C4' energy: -70.967
flat angles C4'-P-C4' energy: -74.864
flat angles P-C4'-P energy: -51.506
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: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 297
Temperature: 1.200000
Total energy: -916.325874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -916.325874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -916.325874 (E_RNA)
where:
Base-Base interactions energy: -605.022
where: short stacking energy: -276.267
Base-Backbone interact. energy: -2.840
local terms energy: -308.463479
where:
bonds (distance) C4'-P energy: -64.875
bonds (distance) P-C4' energy: -67.186
flat angles C4'-P-C4' energy: -69.813
flat angles P-C4'-P energy: -44.044
tors. eta vs tors. theta energy: -62.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 297
Temperature: 1.250000
Total energy: -803.229080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -803.229080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -803.229080 (E_RNA)
where:
Base-Base interactions energy: -523.072
where: short stacking energy: -217.473
Base-Backbone interact. energy: -0.166
local terms energy: -279.991600
where:
bonds (distance) C4'-P energy: -56.530
bonds (distance) P-C4' energy: -70.422
flat angles C4'-P-C4' energy: -57.733
flat angles P-C4'-P energy: -47.454
tors. eta vs tors. theta energy: -47.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 297
Temperature: 1.300000
Total energy: -564.989220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -564.989220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -564.989220 (E_RNA)
where:
Base-Base interactions energy: -334.386
where: short stacking energy: -163.129
Base-Backbone interact. energy: 1.639
local terms energy: -232.241818
where:
bonds (distance) C4'-P energy: -57.953
bonds (distance) P-C4' energy: -51.512
flat angles C4'-P-C4' energy: -68.795
flat angles P-C4'-P energy: -37.821
tors. eta vs tors. theta energy: -16.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 297
Temperature: 1.350000
Total energy: -530.857323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.857323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.857323 (E_RNA)
where:
Base-Base interactions energy: -314.503
where: short stacking energy: -159.014
Base-Backbone interact. energy: -0.245
local terms energy: -216.669036
where:
bonds (distance) C4'-P energy: -54.382
bonds (distance) P-C4' energy: -64.267
flat angles C4'-P-C4' energy: -51.880
flat angles P-C4'-P energy: -38.857
tors. eta vs tors. theta energy: -7.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.560 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 298
Temperature: 0.900000
Total energy: -1413.414299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1413.414299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1413.414299 (E_RNA)
where:
Base-Base interactions energy: -990.090
where: short stacking energy: -418.862
Base-Backbone interact. energy: -2.594
local terms energy: -420.730711
where:
bonds (distance) C4'-P energy: -80.808
bonds (distance) P-C4' energy: -75.490
flat angles C4'-P-C4' energy: -80.652
flat angles P-C4'-P energy: -60.186
tors. eta vs tors. theta energy: -123.595
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: 8
=====================================
Write number: 298
Temperature: 0.950000
Total energy: -1358.896448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1358.896448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1358.896448 (E_RNA)
where:
Base-Base interactions energy: -938.796
where: short stacking energy: -407.167
Base-Backbone interact. energy: -2.792
local terms energy: -417.308253
where:
bonds (distance) C4'-P energy: -71.909
bonds (distance) P-C4' energy: -74.389
flat angles C4'-P-C4' energy: -87.644
flat angles P-C4'-P energy: -65.182
tors. eta vs tors. theta energy: -118.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 298
Temperature: 1.000000
Total energy: -1250.145238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1250.145238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1250.145238 (E_RNA)
where:
Base-Base interactions energy: -887.263
where: short stacking energy: -346.971
Base-Backbone interact. energy: -3.835
local terms energy: -359.047318
where:
bonds (distance) C4'-P energy: -69.905
bonds (distance) P-C4' energy: -78.512
flat angles C4'-P-C4' energy: -73.346
flat angles P-C4'-P energy: -47.783
tors. eta vs tors. theta energy: -89.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 298
Temperature: 1.050000
Total energy: -1215.216510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1215.216510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1215.216510 (E_RNA)
where:
Base-Base interactions energy: -844.628
where: short stacking energy: -341.959
Base-Backbone interact. energy: -0.398
local terms energy: -370.924358
where:
bonds (distance) C4'-P energy: -67.685
bonds (distance) P-C4' energy: -71.032
flat angles C4'-P-C4' energy: -86.991
flat angles P-C4'-P energy: -55.003
tors. eta vs tors. theta energy: -90.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.734 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 298
Temperature: 1.100000
Total energy: -1164.616835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1164.616835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1164.616835 (E_RNA)
where:
Base-Base interactions energy: -810.028
where: short stacking energy: -355.667
Base-Backbone interact. energy: 0.418
local terms energy: -355.006870
where:
bonds (distance) C4'-P energy: -60.831
bonds (distance) P-C4' energy: -63.869
flat angles C4'-P-C4' energy: -75.719
flat angles P-C4'-P energy: -49.141
tors. eta vs tors. theta energy: -105.448
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: 9
=====================================
Write number: 298
Temperature: 1.150000
Total energy: -1141.817754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1141.817754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1141.817754 (E_RNA)
where:
Base-Base interactions energy: -776.972
where: short stacking energy: -333.405
Base-Backbone interact. energy: -1.163
local terms energy: -363.683175
where:
bonds (distance) C4'-P energy: -71.756
bonds (distance) P-C4' energy: -71.688
flat angles C4'-P-C4' energy: -78.864
flat angles P-C4'-P energy: -49.421
tors. eta vs tors. theta energy: -91.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 298
Temperature: 1.200000
Total energy: -894.996103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -894.996103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -894.996103 (E_RNA)
where:
Base-Base interactions energy: -583.807
where: short stacking energy: -255.435
Base-Backbone interact. energy: -0.315
local terms energy: -310.874369
where:
bonds (distance) C4'-P energy: -53.218
bonds (distance) P-C4' energy: -71.460
flat angles C4'-P-C4' energy: -73.247
flat angles P-C4'-P energy: -38.206
tors. eta vs tors. theta energy: -74.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 298
Temperature: 1.250000
Total energy: -830.511856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -830.511856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -830.511856 (E_RNA)
where:
Base-Base interactions energy: -542.621
where: short stacking energy: -243.319
Base-Backbone interact. energy: -1.405
local terms energy: -286.485159
where:
bonds (distance) C4'-P energy: -66.689
bonds (distance) P-C4' energy: -58.266
flat angles C4'-P-C4' energy: -69.028
flat angles P-C4'-P energy: -42.082
tors. eta vs tors. theta energy: -50.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 298
Temperature: 1.300000
Total energy: -563.050040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -563.050040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -563.050040 (E_RNA)
where:
Base-Base interactions energy: -332.772
where: short stacking energy: -172.897
Base-Backbone interact. energy: -0.576
local terms energy: -229.701972
where:
bonds (distance) C4'-P energy: -57.107
bonds (distance) P-C4' energy: -68.872
flat angles C4'-P-C4' energy: -48.460
flat angles P-C4'-P energy: -36.008
tors. eta vs tors. theta energy: -19.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 298
Temperature: 1.350000
Total energy: -584.108671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -584.108671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -584.108671 (E_RNA)
where:
Base-Base interactions energy: -334.659
where: short stacking energy: -192.341
Base-Backbone interact. energy: -0.666
local terms energy: -248.783777
where:
bonds (distance) C4'-P energy: -58.128
bonds (distance) P-C4' energy: -61.364
flat angles C4'-P-C4' energy: -52.120
flat angles P-C4'-P energy: -36.266
tors. eta vs tors. theta energy: -40.905
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: 5
=====================================
Write number: 299
Temperature: 0.900000
Total energy: -1401.360376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1401.360376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1401.360376 (E_RNA)
where:
Base-Base interactions energy: -983.353
where: short stacking energy: -425.827
Base-Backbone interact. energy: 0.965
local terms energy: -418.972829
where:
bonds (distance) C4'-P energy: -76.311
bonds (distance) P-C4' energy: -66.591
flat angles C4'-P-C4' energy: -92.086
flat angles P-C4'-P energy: -62.950
tors. eta vs tors. theta energy: -121.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 299
Temperature: 0.950000
Total energy: -1344.389475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1344.389475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1344.389475 (E_RNA)
where:
Base-Base interactions energy: -924.965
where: short stacking energy: -400.659
Base-Backbone interact. energy: -2.231
local terms energy: -417.193557
where:
bonds (distance) C4'-P energy: -73.562
bonds (distance) P-C4' energy: -82.393
flat angles C4'-P-C4' energy: -88.910
flat angles P-C4'-P energy: -52.390
tors. eta vs tors. theta energy: -119.939
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: 6
=====================================
Write number: 299
Temperature: 1.000000
Total energy: -1284.702796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1284.702796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1284.702796 (E_RNA)
where:
Base-Base interactions energy: -904.882
where: short stacking energy: -369.988
Base-Backbone interact. energy: -0.046
local terms energy: -379.775269
where:
bonds (distance) C4'-P energy: -77.950
bonds (distance) P-C4' energy: -74.630
flat angles C4'-P-C4' energy: -72.720
flat angles P-C4'-P energy: -52.153
tors. eta vs tors. theta energy: -102.322
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: 3
=====================================
Write number: 299
Temperature: 1.050000
Total energy: -1225.783458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1225.783458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1225.783458 (E_RNA)
where:
Base-Base interactions energy: -856.377
where: short stacking energy: -355.238
Base-Backbone interact. energy: -1.997
local terms energy: -369.613072
where:
bonds (distance) C4'-P energy: -59.338
bonds (distance) P-C4' energy: -70.403
flat angles C4'-P-C4' energy: -88.549
flat angles P-C4'-P energy: -56.665
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: 2.203 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 299
Temperature: 1.100000
Total energy: -1162.424026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1162.424026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1162.424026 (E_RNA)
where:
Base-Base interactions energy: -791.439
where: short stacking energy: -366.439
Base-Backbone interact. energy: 1.862
local terms energy: -372.846967
where:
bonds (distance) C4'-P energy: -66.535
bonds (distance) P-C4' energy: -56.837
flat angles C4'-P-C4' energy: -89.646
flat angles P-C4'-P energy: -53.953
tors. eta vs tors. theta energy: -105.876
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 299
Temperature: 1.150000
Total energy: -1088.154048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1088.154048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1088.154048 (E_RNA)
where:
Base-Base interactions energy: -744.250
where: short stacking energy: -287.010
Base-Backbone interact. energy: 1.113
local terms energy: -345.016781
where:
bonds (distance) C4'-P energy: -81.516
bonds (distance) P-C4' energy: -71.662
flat angles C4'-P-C4' energy: -62.292
flat angles P-C4'-P energy: -45.141
tors. eta vs tors. theta energy: -84.405
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: 7, replica: 1
=====================================
Write number: 299
Temperature: 1.200000
Total energy: -905.298144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -905.298144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -905.298144 (E_RNA)
where:
Base-Base interactions energy: -613.010
where: short stacking energy: -278.548
Base-Backbone interact. energy: -1.405
local terms energy: -290.882958
where:
bonds (distance) C4'-P energy: -59.552
bonds (distance) P-C4' energy: -63.767
flat angles C4'-P-C4' energy: -64.768
flat angles P-C4'-P energy: -38.839
tors. eta vs tors. theta energy: -63.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 299
Temperature: 1.250000
Total energy: -815.269893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -815.269893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -815.269893 (E_RNA)
where:
Base-Base interactions energy: -525.054
where: short stacking energy: -241.651
Base-Backbone interact. energy: -0.086
local terms energy: -290.129500
where:
bonds (distance) C4'-P energy: -51.447
bonds (distance) P-C4' energy: -66.056
flat angles C4'-P-C4' energy: -75.742
flat angles P-C4'-P energy: -39.136
tors. eta vs tors. theta energy: -57.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 299
Temperature: 1.300000
Total energy: -616.724012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -616.724012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -616.724012 (E_RNA)
where:
Base-Base interactions energy: -348.868
where: short stacking energy: -174.736
Base-Backbone interact. energy: -0.430
local terms energy: -267.425892
where:
bonds (distance) C4'-P energy: -62.601
bonds (distance) P-C4' energy: -66.716
flat angles C4'-P-C4' energy: -68.738
flat angles P-C4'-P energy: -42.439
tors. eta vs tors. theta energy: -26.932
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: 4
=====================================
Write number: 299
Temperature: 1.350000
Total energy: -520.192784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.192784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.192784 (E_RNA)
where:
Base-Base interactions energy: -295.007
where: short stacking energy: -150.339
Base-Backbone interact. energy: -1.808
local terms energy: -223.378214
where:
bonds (distance) C4'-P energy: -57.507
bonds (distance) P-C4' energy: -54.493
flat angles C4'-P-C4' energy: -62.926
flat angles P-C4'-P energy: -34.153
tors. eta vs tors. theta energy: -14.299
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: 5
=====================================
Write number: 300
Temperature: 0.900000
Total energy: -1406.489557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1406.489557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1406.489557 (E_RNA)
where:
Base-Base interactions energy: -986.434
where: short stacking energy: -415.158
Base-Backbone interact. energy: 2.273
local terms energy: -422.328928
where:
bonds (distance) C4'-P energy: -78.335
bonds (distance) P-C4' energy: -84.508
flat angles C4'-P-C4' energy: -87.605
flat angles P-C4'-P energy: -54.006
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: 2, replica: 8
=====================================
Write number: 300
Temperature: 0.950000
Total energy: -1333.990980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1333.990980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1333.990980 (E_RNA)
where:
Base-Base interactions energy: -912.505
where: short stacking energy: -381.598
Base-Backbone interact. energy: -2.887
local terms energy: -418.599712
where:
bonds (distance) C4'-P energy: -73.052
bonds (distance) P-C4' energy: -81.028
flat angles C4'-P-C4' energy: -86.748
flat angles P-C4'-P energy: -61.121
tors. eta vs tors. theta energy: -116.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 300
Temperature: 1.000000
Total energy: -1263.189884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1263.189884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1263.189884 (E_RNA)
where:
Base-Base interactions energy: -890.037
where: short stacking energy: -365.673
Base-Backbone interact. energy: 2.379
local terms energy: -375.531306
where:
bonds (distance) C4'-P energy: -70.583
bonds (distance) P-C4' energy: -77.626
flat angles C4'-P-C4' energy: -83.128
flat angles P-C4'-P energy: -51.086
tors. eta vs tors. theta energy: -93.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 300
Temperature: 1.050000
Total energy: -1234.498305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1234.498305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1234.498305 (E_RNA)
where:
Base-Base interactions energy: -870.782
where: short stacking energy: -337.743
Base-Backbone interact. energy: 1.607
local terms energy: -365.322713
where:
bonds (distance) C4'-P energy: -70.388
bonds (distance) P-C4' energy: -64.122
flat angles C4'-P-C4' energy: -75.923
flat angles P-C4'-P energy: -59.553
tors. eta vs tors. theta energy: -95.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 300
Temperature: 1.100000
Total energy: -1160.832135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1160.832135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1160.832135 (E_RNA)
where:
Base-Base interactions energy: -793.476
where: short stacking energy: -346.851
Base-Backbone interact. energy: -1.444
local terms energy: -366.484426
where:
bonds (distance) C4'-P energy: -70.882
bonds (distance) P-C4' energy: -68.573
flat angles C4'-P-C4' energy: -81.664
flat angles P-C4'-P energy: -47.646
tors. eta vs tors. theta energy: -97.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.572 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 300
Temperature: 1.150000
Total energy: -1106.977828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1106.977828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1106.977828 (E_RNA)
where:
Base-Base interactions energy: -788.586
where: short stacking energy: -342.042
Base-Backbone interact. energy: 0.282
local terms energy: -318.673795
where:
bonds (distance) C4'-P energy: -59.818
bonds (distance) P-C4' energy: -58.195
flat angles C4'-P-C4' energy: -63.414
flat angles P-C4'-P energy: -46.992
tors. eta vs tors. theta energy: -90.255
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: 1
=====================================
Write number: 300
Temperature: 1.200000
Total energy: -935.271473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -935.271473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -935.271473 (E_RNA)
where:
Base-Base interactions energy: -610.633
where: short stacking energy: -290.393
Base-Backbone interact. energy: 0.311
local terms energy: -324.949716
where:
bonds (distance) C4'-P energy: -72.584
bonds (distance) P-C4' energy: -60.182
flat angles C4'-P-C4' energy: -79.245
flat angles P-C4'-P energy: -38.689
tors. eta vs tors. theta energy: -74.249
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: 8, replica: 10
=====================================
Write number: 300
Temperature: 1.250000
Total energy: -771.613016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -771.613016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -771.613016 (E_RNA)
where:
Base-Base interactions energy: -498.884
where: short stacking energy: -228.605
Base-Backbone interact. energy: 2.687
local terms energy: -275.416463
where:
bonds (distance) C4'-P energy: -66.777
bonds (distance) P-C4' energy: -59.463
flat angles C4'-P-C4' energy: -63.732
flat angles P-C4'-P energy: -42.253
tors. eta vs tors. theta energy: -43.191
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: 2
=====================================
Write number: 300
Temperature: 1.300000
Total energy: -646.135874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -646.135874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -646.135874 (E_RNA)
where:
Base-Base interactions energy: -376.533
where: short stacking energy: -185.900
Base-Backbone interact. energy: -1.590
local terms energy: -268.013279
where:
bonds (distance) C4'-P energy: -60.936
bonds (distance) P-C4' energy: -68.623
flat angles C4'-P-C4' energy: -66.494
flat angles P-C4'-P energy: -38.860
tors. eta vs tors. theta energy: -33.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 300
Temperature: 1.350000
Total energy: -495.590607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.590607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.590607 (E_RNA)
where:
Base-Base interactions energy: -275.833
where: short stacking energy: -133.434
Base-Backbone interact. energy: -1.656
local terms energy: -218.102170
where:
bonds (distance) C4'-P energy: -60.664
bonds (distance) P-C4' energy: -58.733
flat angles C4'-P-C4' energy: -53.518
flat angles P-C4'-P energy: -32.522
tors. eta vs tors. theta energy: -12.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 301
Temperature: 0.900000
Total energy: -1419.117829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1419.117829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1419.117829 (E_RNA)
where:
Base-Base interactions energy: -1004.076
where: short stacking energy: -423.277
Base-Backbone interact. energy: -1.649
local terms energy: -413.392346
where:
bonds (distance) C4'-P energy: -77.254
bonds (distance) P-C4' energy: -84.428
flat angles C4'-P-C4' energy: -82.178
flat angles P-C4'-P energy: -52.011
tors. eta vs tors. theta energy: -117.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 301
Temperature: 0.950000
Total energy: -1277.119718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1277.119718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1277.119718 (E_RNA)
where:
Base-Base interactions energy: -902.371
where: short stacking energy: -391.659
Base-Backbone interact. energy: 2.316
local terms energy: -377.064440
where:
bonds (distance) C4'-P energy: -72.560
bonds (distance) P-C4' energy: -61.197
flat angles C4'-P-C4' energy: -84.601
flat angles P-C4'-P energy: -54.527
tors. eta vs tors. theta energy: -104.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 301
Temperature: 1.000000
Total energy: -1300.529130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1300.529130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1300.529130 (E_RNA)
where:
Base-Base interactions energy: -894.563
where: short stacking energy: -382.736
Base-Backbone interact. energy: 1.529
local terms energy: -407.495353
where:
bonds (distance) C4'-P energy: -72.051
bonds (distance) P-C4' energy: -84.484
flat angles C4'-P-C4' energy: -79.464
flat angles P-C4'-P energy: -55.271
tors. eta vs tors. theta energy: -116.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 301
Temperature: 1.050000
Total energy: -1240.560074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1240.560074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1240.560074 (E_RNA)
where:
Base-Base interactions energy: -871.349
where: short stacking energy: -329.501
Base-Backbone interact. energy: 1.259
local terms energy: -370.469656
where:
bonds (distance) C4'-P energy: -70.364
bonds (distance) P-C4' energy: -68.088
flat angles C4'-P-C4' energy: -74.953
flat angles P-C4'-P energy: -58.853
tors. eta vs tors. theta energy: -98.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 301
Temperature: 1.100000
Total energy: -1166.336669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1166.336669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1166.336669 (E_RNA)
where:
Base-Base interactions energy: -793.712
where: short stacking energy: -344.181
Base-Backbone interact. energy: 0.171
local terms energy: -372.796063
where:
bonds (distance) C4'-P energy: -62.563
bonds (distance) P-C4' energy: -70.813
flat angles C4'-P-C4' energy: -81.958
flat angles P-C4'-P energy: -51.577
tors. eta vs tors. theta energy: -105.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 301
Temperature: 1.150000
Total energy: -1126.205216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1126.205216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1126.205216 (E_RNA)
where:
Base-Base interactions energy: -786.086
where: short stacking energy: -335.332
Base-Backbone interact. energy: -0.150
local terms energy: -339.969243
where:
bonds (distance) C4'-P energy: -54.039
bonds (distance) P-C4' energy: -73.495
flat angles C4'-P-C4' energy: -76.425
flat angles P-C4'-P energy: -44.934
tors. eta vs tors. theta energy: -91.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 301
Temperature: 1.200000
Total energy: -911.147055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -911.147055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -911.147055 (E_RNA)
where:
Base-Base interactions energy: -589.438
where: short stacking energy: -268.337
Base-Backbone interact. energy: 0.400
local terms energy: -322.108936
where:
bonds (distance) C4'-P energy: -71.526
bonds (distance) P-C4' energy: -68.186
flat angles C4'-P-C4' energy: -66.177
flat angles P-C4'-P energy: -49.543
tors. eta vs tors. theta energy: -66.677
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: 10
=====================================
Write number: 301
Temperature: 1.250000
Total energy: -802.851309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -802.851309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -802.851309 (E_RNA)
where:
Base-Base interactions energy: -507.686
where: short stacking energy: -241.633
Base-Backbone interact. energy: 3.028
local terms energy: -298.192512
where:
bonds (distance) C4'-P energy: -58.850
bonds (distance) P-C4' energy: -68.210
flat angles C4'-P-C4' energy: -62.385
flat angles P-C4'-P energy: -56.254
tors. eta vs tors. theta energy: -52.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 301
Temperature: 1.300000
Total energy: -677.578578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -677.578578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -677.578578 (E_RNA)
where:
Base-Base interactions energy: -405.896
where: short stacking energy: -195.585
Base-Backbone interact. energy: -1.485
local terms energy: -270.197270
where:
bonds (distance) C4'-P energy: -58.168
bonds (distance) P-C4' energy: -67.583
flat angles C4'-P-C4' energy: -69.889
flat angles P-C4'-P energy: -38.671
tors. eta vs tors. theta energy: -35.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 301
Temperature: 1.350000
Total energy: -498.743228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.743228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.743228 (E_RNA)
where:
Base-Base interactions energy: -276.687
where: short stacking energy: -136.330
Base-Backbone interact. energy: -1.002
local terms energy: -221.054256
where:
bonds (distance) C4'-P energy: -54.072
bonds (distance) P-C4' energy: -59.539
flat angles C4'-P-C4' energy: -61.410
flat angles P-C4'-P energy: -28.625
tors. eta vs tors. theta energy: -17.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 302
Temperature: 0.900000
Total energy: -1413.478344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1413.478344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1413.478344 (E_RNA)
where:
Base-Base interactions energy: -984.656
where: short stacking energy: -406.197
Base-Backbone interact. energy: -2.923
local terms energy: -425.898917
where:
bonds (distance) C4'-P energy: -62.416
bonds (distance) P-C4' energy: -84.447
flat angles C4'-P-C4' energy: -93.025
flat angles P-C4'-P energy: -62.125
tors. eta vs tors. theta energy: -123.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 302
Temperature: 0.950000
Total energy: -1287.344304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1287.344304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1287.344304 (E_RNA)
where:
Base-Base interactions energy: -900.862
where: short stacking energy: -392.454
Base-Backbone interact. energy: -2.076
local terms energy: -384.406386
where:
bonds (distance) C4'-P energy: -62.379
bonds (distance) P-C4' energy: -75.146
flat angles C4'-P-C4' energy: -80.409
flat angles P-C4'-P energy: -56.804
tors. eta vs tors. theta energy: -109.669
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: 6
=====================================
Write number: 302
Temperature: 1.000000
Total energy: -1270.428330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1270.428330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1270.428330 (E_RNA)
where:
Base-Base interactions energy: -902.661
where: short stacking energy: -351.845
Base-Backbone interact. energy: -0.198
local terms energy: -367.568613
where:
bonds (distance) C4'-P energy: -70.686
bonds (distance) P-C4' energy: -73.708
flat angles C4'-P-C4' energy: -82.075
flat angles P-C4'-P energy: -49.540
tors. eta vs tors. theta energy: -91.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 302
Temperature: 1.050000
Total energy: -1247.191360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1247.191360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1247.191360 (E_RNA)
where:
Base-Base interactions energy: -860.279
where: short stacking energy: -357.087
Base-Backbone interact. energy: -1.327
local terms energy: -385.585431
where:
bonds (distance) C4'-P energy: -68.069
bonds (distance) P-C4' energy: -71.875
flat angles C4'-P-C4' energy: -84.321
flat angles P-C4'-P energy: -50.319
tors. eta vs tors. theta energy: -111.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 302
Temperature: 1.100000
Total energy: -1152.638442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1152.638442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1152.638442 (E_RNA)
where:
Base-Base interactions energy: -788.633
where: short stacking energy: -332.221
Base-Backbone interact. energy: -1.172
local terms energy: -362.834076
where:
bonds (distance) C4'-P energy: -65.065
bonds (distance) P-C4' energy: -76.593
flat angles C4'-P-C4' energy: -83.743
flat angles P-C4'-P energy: -55.182
tors. eta vs tors. theta energy: -82.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 302
Temperature: 1.150000
Total energy: -1133.790455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1133.790455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1133.790455 (E_RNA)
where:
Base-Base interactions energy: -793.833
where: short stacking energy: -343.058
Base-Backbone interact. energy: -0.783
local terms energy: -339.174568
where:
bonds (distance) C4'-P energy: -53.628
bonds (distance) P-C4' energy: -75.328
flat angles C4'-P-C4' energy: -82.012
flat angles P-C4'-P energy: -30.877
tors. eta vs tors. theta energy: -97.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 302
Temperature: 1.200000
Total energy: -859.100117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -859.100117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -859.100117 (E_RNA)
where:
Base-Base interactions energy: -556.452
where: short stacking energy: -244.519
Base-Backbone interact. energy: -0.331
local terms energy: -302.317720
where:
bonds (distance) C4'-P energy: -63.760
bonds (distance) P-C4' energy: -65.970
flat angles C4'-P-C4' energy: -62.291
flat angles P-C4'-P energy: -54.801
tors. eta vs tors. theta energy: -55.497
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: 10
=====================================
Write number: 302
Temperature: 1.250000
Total energy: -812.894337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -812.894337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -812.894337 (E_RNA)
where:
Base-Base interactions energy: -542.084
where: short stacking energy: -259.445
Base-Backbone interact. energy: 1.930
local terms energy: -272.740477
where:
bonds (distance) C4'-P energy: -60.129
bonds (distance) P-C4' energy: -60.859
flat angles C4'-P-C4' energy: -69.026
flat angles P-C4'-P energy: -29.064
tors. eta vs tors. theta energy: -53.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 302
Temperature: 1.300000
Total energy: -717.600339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -717.600339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -717.600339 (E_RNA)
where:
Base-Base interactions energy: -452.416
where: short stacking energy: -210.381
Base-Backbone interact. energy: 1.373
local terms energy: -267.282623
where:
bonds (distance) C4'-P energy: -50.760
bonds (distance) P-C4' energy: -58.881
flat angles C4'-P-C4' energy: -61.698
flat angles P-C4'-P energy: -46.620
tors. eta vs tors. theta energy: -49.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.725 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 302
Temperature: 1.350000
Total energy: -472.489856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.489856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.489856 (E_RNA)
where:
Base-Base interactions energy: -242.839
where: short stacking energy: -117.450
Base-Backbone interact. energy: -1.098
local terms energy: -228.553154
where:
bonds (distance) C4'-P energy: -64.948
bonds (distance) P-C4' energy: -76.208
flat angles C4'-P-C4' energy: -33.704
flat angles P-C4'-P energy: -44.605
tors. eta vs tors. theta energy: -9.089
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: 1, replica: 5
=====================================
Write number: 303
Temperature: 0.900000
Total energy: -1413.588096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1413.588096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1413.588096 (E_RNA)
where:
Base-Base interactions energy: -991.399
where: short stacking energy: -410.665
Base-Backbone interact. energy: -2.039
local terms energy: -420.150134
where:
bonds (distance) C4'-P energy: -70.200
bonds (distance) P-C4' energy: -79.965
flat angles C4'-P-C4' energy: -85.408
flat angles P-C4'-P energy: -62.774
tors. eta vs tors. theta energy: -121.803
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: 6
=====================================
Write number: 303
Temperature: 0.950000
Total energy: -1291.995422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1291.995422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1291.995422 (E_RNA)
where:
Base-Base interactions energy: -898.542
where: short stacking energy: -351.101
Base-Backbone interact. energy: -4.534
local terms energy: -388.919108
where:
bonds (distance) C4'-P energy: -63.998
bonds (distance) P-C4' energy: -86.912
flat angles C4'-P-C4' energy: -86.981
flat angles P-C4'-P energy: -51.240
tors. eta vs tors. theta energy: -99.788
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: 3
=====================================
Write number: 303
Temperature: 1.000000
Total energy: -1277.057289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1277.057289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1277.057289 (E_RNA)
where:
Base-Base interactions energy: -896.703
where: short stacking energy: -373.895
Base-Backbone interact. energy: -1.286
local terms energy: -379.068609
where:
bonds (distance) C4'-P energy: -65.996
bonds (distance) P-C4' energy: -72.092
flat angles C4'-P-C4' energy: -82.076
flat angles P-C4'-P energy: -60.339
tors. eta vs tors. theta energy: -98.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 303
Temperature: 1.050000
Total energy: -1246.635592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1246.635592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1246.635592 (E_RNA)
where:
Base-Base interactions energy: -854.486
where: short stacking energy: -352.421
Base-Backbone interact. energy: -1.770
local terms energy: -390.379896
where:
bonds (distance) C4'-P energy: -67.626
bonds (distance) P-C4' energy: -79.156
flat angles C4'-P-C4' energy: -75.723
flat angles P-C4'-P energy: -56.638
tors. eta vs tors. theta energy: -111.238
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: 303
Temperature: 1.100000
Total energy: -1179.835624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1179.835624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1179.835624 (E_RNA)
where:
Base-Base interactions energy: -806.173
where: short stacking energy: -345.621
Base-Backbone interact. energy: -0.547
local terms energy: -373.115627
where:
bonds (distance) C4'-P energy: -67.250
bonds (distance) P-C4' energy: -72.250
flat angles C4'-P-C4' energy: -87.470
flat angles P-C4'-P energy: -54.240
tors. eta vs tors. theta energy: -91.906
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: 6, replica: 7
=====================================
Write number: 303
Temperature: 1.150000
Total energy: -1117.393330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1117.393330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1117.393330 (E_RNA)
where:
Base-Base interactions energy: -780.555
where: short stacking energy: -332.230
Base-Backbone interact. energy: 2.465
local terms energy: -339.303520
where:
bonds (distance) C4'-P energy: -69.103
bonds (distance) P-C4' energy: -72.317
flat angles C4'-P-C4' energy: -73.374
flat angles P-C4'-P energy: -41.446
tors. eta vs tors. theta energy: -83.065
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: 1
=====================================
Write number: 303
Temperature: 1.200000
Total energy: -875.761792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -875.761792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -875.761792 (E_RNA)
where:
Base-Base interactions energy: -582.817
where: short stacking energy: -253.739
Base-Backbone interact. energy: -1.561
local terms energy: -291.383694
where:
bonds (distance) C4'-P energy: -55.902
bonds (distance) P-C4' energy: -74.635
flat angles C4'-P-C4' energy: -71.401
flat angles P-C4'-P energy: -24.439
tors. eta vs tors. theta energy: -65.006
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: 8, replica: 10
=====================================
Write number: 303
Temperature: 1.250000
Total energy: -824.142210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -824.142210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -824.142210 (E_RNA)
where:
Base-Base interactions energy: -538.655
where: short stacking energy: -240.955
Base-Backbone interact. energy: 2.170
local terms energy: -287.656408
where:
bonds (distance) C4'-P energy: -63.605
bonds (distance) P-C4' energy: -71.049
flat angles C4'-P-C4' energy: -78.257
flat angles P-C4'-P energy: -34.521
tors. eta vs tors. theta energy: -40.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 303
Temperature: 1.300000
Total energy: -737.058865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -737.058865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -737.058865 (E_RNA)
where:
Base-Base interactions energy: -454.445
where: short stacking energy: -201.158
Base-Backbone interact. energy: -3.089
local terms energy: -279.748044
where:
bonds (distance) C4'-P energy: -55.453
bonds (distance) P-C4' energy: -72.975
flat angles C4'-P-C4' energy: -74.643
flat angles P-C4'-P energy: -36.103
tors. eta vs tors. theta energy: -40.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.224 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 303
Temperature: 1.350000
Total energy: -451.427834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.427834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.427834 (E_RNA)
where:
Base-Base interactions energy: -219.445
where: short stacking energy: -111.897
Base-Backbone interact. energy: -0.785
local terms energy: -231.198358
where:
bonds (distance) C4'-P energy: -62.527
bonds (distance) P-C4' energy: -80.949
flat angles C4'-P-C4' energy: -54.423
flat angles P-C4'-P energy: -31.776
tors. eta vs tors. theta energy: -1.523
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: 304
Temperature: 0.900000
Total energy: -1397.430653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1397.430653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1397.430653 (E_RNA)
where:
Base-Base interactions energy: -967.812
where: short stacking energy: -408.705
Base-Backbone interact. energy: -1.021
local terms energy: -428.597194
where:
bonds (distance) C4'-P energy: -81.489
bonds (distance) P-C4' energy: -79.557
flat angles C4'-P-C4' energy: -88.382
flat angles P-C4'-P energy: -56.642
tors. eta vs tors. theta energy: -122.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 304
Temperature: 0.950000
Total energy: -1290.654337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1290.654337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1290.654337 (E_RNA)
where:
Base-Base interactions energy: -905.027
where: short stacking energy: -371.212
Base-Backbone interact. energy: 0.497
local terms energy: -386.123707
where:
bonds (distance) C4'-P energy: -73.438
bonds (distance) P-C4' energy: -81.474
flat angles C4'-P-C4' energy: -75.959
flat angles P-C4'-P energy: -57.819
tors. eta vs tors. theta energy: -97.433
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: 8
=====================================
Write number: 304
Temperature: 1.000000
Total energy: -1315.733261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1315.733261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1315.733261 (E_RNA)
where:
Base-Base interactions energy: -911.307
where: short stacking energy: -393.548
Base-Backbone interact. energy: -3.686
local terms energy: -400.739680
where:
bonds (distance) C4'-P energy: -74.892
bonds (distance) P-C4' energy: -68.408
flat angles C4'-P-C4' energy: -93.514
flat angles P-C4'-P energy: -43.466
tors. eta vs tors. theta energy: -120.460
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: 3
=====================================
Write number: 304
Temperature: 1.050000
Total energy: -1224.943706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1224.943706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1224.943706 (E_RNA)
where:
Base-Base interactions energy: -859.364
where: short stacking energy: -375.330
Base-Backbone interact. energy: -0.797
local terms energy: -364.783001
where:
bonds (distance) C4'-P energy: -66.444
bonds (distance) P-C4' energy: -73.915
flat angles C4'-P-C4' energy: -79.963
flat angles P-C4'-P energy: -51.130
tors. eta vs tors. theta energy: -93.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 304
Temperature: 1.100000
Total energy: -1166.388252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1166.388252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1166.388252 (E_RNA)
where:
Base-Base interactions energy: -783.875
where: short stacking energy: -346.003
Base-Backbone interact. energy: -1.964
local terms energy: -380.548654
where:
bonds (distance) C4'-P energy: -78.255
bonds (distance) P-C4' energy: -71.813
flat angles C4'-P-C4' energy: -80.302
flat angles P-C4'-P energy: -54.864
tors. eta vs tors. theta energy: -95.314
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: 6, replica: 7
=====================================
Write number: 304
Temperature: 1.150000
Total energy: -1159.236985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1159.236985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1159.236985 (E_RNA)
where:
Base-Base interactions energy: -801.002
where: short stacking energy: -341.307
Base-Backbone interact. energy: 0.075
local terms energy: -358.310466
where:
bonds (distance) C4'-P energy: -64.884
bonds (distance) P-C4' energy: -64.328
flat angles C4'-P-C4' energy: -78.867
flat angles P-C4'-P energy: -50.877
tors. eta vs tors. theta energy: -99.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 304
Temperature: 1.200000
Total energy: -912.814217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -912.814217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -912.814217 (E_RNA)
where:
Base-Base interactions energy: -618.693
where: short stacking energy: -270.968
Base-Backbone interact. energy: 4.295
local terms energy: -298.416518
where:
bonds (distance) C4'-P energy: -59.737
bonds (distance) P-C4' energy: -56.392
flat angles C4'-P-C4' energy: -72.406
flat angles P-C4'-P energy: -44.677
tors. eta vs tors. theta energy: -65.205
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: 304
Temperature: 1.250000
Total energy: -817.258610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -817.258610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -817.258610 (E_RNA)
where:
Base-Base interactions energy: -514.820
where: short stacking energy: -242.290
Base-Backbone interact. energy: -0.484
local terms energy: -303.496611
where:
bonds (distance) C4'-P energy: -67.246
bonds (distance) P-C4' energy: -72.778
flat angles C4'-P-C4' energy: -65.147
flat angles P-C4'-P energy: -43.354
tors. eta vs tors. theta energy: -54.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.542 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 304
Temperature: 1.300000
Total energy: -748.333010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -748.333010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -748.333010 (E_RNA)
where:
Base-Base interactions energy: -485.251
where: short stacking energy: -222.694
Base-Backbone interact. energy: 0.411
local terms energy: -263.493138
where:
bonds (distance) C4'-P energy: -46.036
bonds (distance) P-C4' energy: -58.820
flat angles C4'-P-C4' energy: -60.450
flat angles P-C4'-P energy: -48.631
tors. eta vs tors. theta energy: -49.556
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: 304
Temperature: 1.350000
Total energy: -412.505582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.505582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.505582 (E_RNA)
where:
Base-Base interactions energy: -198.953
where: short stacking energy: -129.525
Base-Backbone interact. energy: 4.699
local terms energy: -218.252109
where:
bonds (distance) C4'-P energy: -65.062
bonds (distance) P-C4' energy: -62.486
flat angles C4'-P-C4' energy: -41.128
flat angles P-C4'-P energy: -34.168
tors. eta vs tors. theta energy: -15.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 305
Temperature: 0.900000
Total energy: -1405.593090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1405.593090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1405.593090 (E_RNA)
where:
Base-Base interactions energy: -993.080
where: short stacking energy: -420.648
Base-Backbone interact. energy: 1.526
local terms energy: -414.038855
where:
bonds (distance) C4'-P energy: -71.559
bonds (distance) P-C4' energy: -73.285
flat angles C4'-P-C4' energy: -87.428
flat angles P-C4'-P energy: -56.630
tors. eta vs tors. theta energy: -125.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 305
Temperature: 0.950000
Total energy: -1320.102718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1320.102718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1320.102718 (E_RNA)
where:
Base-Base interactions energy: -942.739
where: short stacking energy: -396.366
Base-Backbone interact. energy: -2.514
local terms energy: -374.849385
where:
bonds (distance) C4'-P energy: -77.548
bonds (distance) P-C4' energy: -70.355
flat angles C4'-P-C4' energy: -76.216
flat angles P-C4'-P energy: -48.643
tors. eta vs tors. theta energy: -102.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 305
Temperature: 1.000000
Total energy: -1293.728212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1293.728212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1293.728212 (E_RNA)
where:
Base-Base interactions energy: -895.195
where: short stacking energy: -397.566
Base-Backbone interact. energy: 3.072
local terms energy: -401.604905
where:
bonds (distance) C4'-P energy: -71.968
bonds (distance) P-C4' energy: -73.728
flat angles C4'-P-C4' energy: -81.253
flat angles P-C4'-P energy: -55.793
tors. eta vs tors. theta energy: -118.863
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: 3
=====================================
Write number: 305
Temperature: 1.050000
Total energy: -1229.086282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1229.086282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1229.086282 (E_RNA)
where:
Base-Base interactions energy: -846.832
where: short stacking energy: -369.760
Base-Backbone interact. energy: 0.854
local terms energy: -383.108247
where:
bonds (distance) C4'-P energy: -77.135
bonds (distance) P-C4' energy: -69.866
flat angles C4'-P-C4' energy: -84.864
flat angles P-C4'-P energy: -51.082
tors. eta vs tors. theta energy: -100.161
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: 305
Temperature: 1.100000
Total energy: -1147.691872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1147.691872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1147.691872 (E_RNA)
where:
Base-Base interactions energy: -782.058
where: short stacking energy: -339.285
Base-Backbone interact. energy: -0.777
local terms energy: -364.856506
where:
bonds (distance) C4'-P energy: -60.759
bonds (distance) P-C4' energy: -81.178
flat angles C4'-P-C4' energy: -76.978
flat angles P-C4'-P energy: -54.345
tors. eta vs tors. theta energy: -91.597
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: 7
=====================================
Write number: 305
Temperature: 1.150000
Total energy: -1141.230995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1141.230995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1141.230995 (E_RNA)
where:
Base-Base interactions energy: -773.606
where: short stacking energy: -322.043
Base-Backbone interact. energy: 1.982
local terms energy: -369.606216
where:
bonds (distance) C4'-P energy: -71.146
bonds (distance) P-C4' energy: -63.321
flat angles C4'-P-C4' energy: -77.090
flat angles P-C4'-P energy: -60.942
tors. eta vs tors. theta energy: -97.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 305
Temperature: 1.200000
Total energy: -920.723245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -920.723245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -920.723245 (E_RNA)
where:
Base-Base interactions energy: -580.902
where: short stacking energy: -268.073
Base-Backbone interact. energy: -2.023
local terms energy: -337.797450
where:
bonds (distance) C4'-P energy: -73.687
bonds (distance) P-C4' energy: -68.633
flat angles C4'-P-C4' energy: -79.165
flat angles P-C4'-P energy: -44.790
tors. eta vs tors. theta energy: -71.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 305
Temperature: 1.250000
Total energy: -809.117335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -809.117335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -809.117335 (E_RNA)
where:
Base-Base interactions energy: -515.229
where: short stacking energy: -236.596
Base-Backbone interact. energy: -0.878
local terms energy: -293.010726
where:
bonds (distance) C4'-P energy: -58.361
bonds (distance) P-C4' energy: -72.426
flat angles C4'-P-C4' energy: -71.466
flat angles P-C4'-P energy: -43.037
tors. eta vs tors. theta energy: -47.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 305
Temperature: 1.300000
Total energy: -702.782974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -702.782974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -702.782974 (E_RNA)
where:
Base-Base interactions energy: -432.220
where: short stacking energy: -205.708
Base-Backbone interact. energy: -1.644
local terms energy: -268.918306
where:
bonds (distance) C4'-P energy: -67.412
bonds (distance) P-C4' energy: -72.789
flat angles C4'-P-C4' energy: -64.854
flat angles P-C4'-P energy: -22.678
tors. eta vs tors. theta energy: -41.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 305
Temperature: 1.350000
Total energy: -448.495196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.495196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.495196 (E_RNA)
where:
Base-Base interactions energy: -234.111
where: short stacking energy: -126.345
Base-Backbone interact. energy: -1.765
local terms energy: -212.618981
where:
bonds (distance) C4'-P energy: -51.484
bonds (distance) P-C4' energy: -71.286
flat angles C4'-P-C4' energy: -63.040
flat angles P-C4'-P energy: -27.806
tors. eta vs tors. theta energy: 0.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 306
Temperature: 0.900000
Total energy: -1399.429850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1399.429850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1399.429850 (E_RNA)
where:
Base-Base interactions energy: -982.636
where: short stacking energy: -422.287
Base-Backbone interact. energy: -1.045
local terms energy: -415.748702
where:
bonds (distance) C4'-P energy: -76.340
bonds (distance) P-C4' energy: -81.932
flat angles C4'-P-C4' energy: -83.040
flat angles P-C4'-P energy: -56.154
tors. eta vs tors. theta energy: -118.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 306
Temperature: 0.950000
Total energy: -1303.457385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1303.457385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1303.457385 (E_RNA)
where:
Base-Base interactions energy: -910.120
where: short stacking energy: -383.108
Base-Backbone interact. energy: -2.008
local terms energy: -391.329449
where:
bonds (distance) C4'-P energy: -78.715
bonds (distance) P-C4' energy: -74.885
flat angles C4'-P-C4' energy: -76.450
flat angles P-C4'-P energy: -59.908
tors. eta vs tors. theta energy: -101.371
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: 8
=====================================
Write number: 306
Temperature: 1.000000
Total energy: -1277.508946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1277.508946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1277.508946 (E_RNA)
where:
Base-Base interactions energy: -872.583
where: short stacking energy: -393.736
Base-Backbone interact. energy: -1.063
local terms energy: -403.863603
where:
bonds (distance) C4'-P energy: -68.899
bonds (distance) P-C4' energy: -70.093
flat angles C4'-P-C4' energy: -83.896
flat angles P-C4'-P energy: -62.452
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: 4, replica: 3
=====================================
Write number: 306
Temperature: 1.050000
Total energy: -1239.323374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1239.323374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1239.323374 (E_RNA)
where:
Base-Base interactions energy: -850.919
where: short stacking energy: -369.544
Base-Backbone interact. energy: -0.163
local terms energy: -388.241045
where:
bonds (distance) C4'-P energy: -64.333
bonds (distance) P-C4' energy: -79.479
flat angles C4'-P-C4' energy: -81.888
flat angles P-C4'-P energy: -60.167
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: 5, replica: 7
=====================================
Write number: 306
Temperature: 1.100000
Total energy: -1172.073173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1172.073173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1172.073173 (E_RNA)
where:
Base-Base interactions energy: -788.140
where: short stacking energy: -350.991
Base-Backbone interact. energy: -2.543
local terms energy: -381.389796
where:
bonds (distance) C4'-P energy: -72.249
bonds (distance) P-C4' energy: -66.189
flat angles C4'-P-C4' energy: -81.376
flat angles P-C4'-P energy: -54.003
tors. eta vs tors. theta energy: -107.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 306
Temperature: 1.150000
Total energy: -1117.436924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1117.436924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1117.436924 (E_RNA)
where:
Base-Base interactions energy: -792.766
where: short stacking energy: -326.601
Base-Backbone interact. energy: 2.963
local terms energy: -327.634332
where:
bonds (distance) C4'-P energy: -51.851
bonds (distance) P-C4' energy: -63.851
flat angles C4'-P-C4' energy: -77.948
flat angles P-C4'-P energy: -36.803
tors. eta vs tors. theta energy: -97.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 306
Temperature: 1.200000
Total energy: -927.226532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -927.226532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -927.226532 (E_RNA)
where:
Base-Base interactions energy: -622.528
where: short stacking energy: -268.937
Base-Backbone interact. energy: -2.186
local terms energy: -302.512445
where:
bonds (distance) C4'-P energy: -59.512
bonds (distance) P-C4' energy: -65.106
flat angles C4'-P-C4' energy: -67.736
flat angles P-C4'-P energy: -48.154
tors. eta vs tors. theta energy: -62.005
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: 10
=====================================
Write number: 306
Temperature: 1.250000
Total energy: -815.452976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -815.452976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -815.452976 (E_RNA)
where:
Base-Base interactions energy: -538.446
where: short stacking energy: -249.483
Base-Backbone interact. energy: -1.302
local terms energy: -275.704268
where:
bonds (distance) C4'-P energy: -60.961
bonds (distance) P-C4' energy: -63.853
flat angles C4'-P-C4' energy: -61.426
flat angles P-C4'-P energy: -30.263
tors. eta vs tors. theta energy: -59.201
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: 2
=====================================
Write number: 306
Temperature: 1.300000
Total energy: -731.436815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -731.436815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -731.436815 (E_RNA)
where:
Base-Base interactions energy: -465.945
where: short stacking energy: -203.426
Base-Backbone interact. energy: 4.409
local terms energy: -269.901723
where:
bonds (distance) C4'-P energy: -63.632
bonds (distance) P-C4' energy: -60.139
flat angles C4'-P-C4' energy: -70.807
flat angles P-C4'-P energy: -43.532
tors. eta vs tors. theta energy: -31.792
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: 4
=====================================
Write number: 306
Temperature: 1.350000
Total energy: -485.199010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.199010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.199010 (E_RNA)
where:
Base-Base interactions energy: -255.751
where: short stacking energy: -140.474
Base-Backbone interact. energy: 2.445
local terms energy: -231.892822
where:
bonds (distance) C4'-P energy: -64.109
bonds (distance) P-C4' energy: -64.241
flat angles C4'-P-C4' energy: -57.846
flat angles P-C4'-P energy: -29.992
tors. eta vs tors. theta energy: -15.706
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: 5
=====================================
Write number: 307
Temperature: 0.900000
Total energy: -1419.641843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1419.641843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1419.641843 (E_RNA)
where:
Base-Base interactions energy: -988.360
where: short stacking energy: -412.253
Base-Backbone interact. energy: -2.662
local terms energy: -428.619962
where:
bonds (distance) C4'-P energy: -78.072
bonds (distance) P-C4' energy: -80.078
flat angles C4'-P-C4' energy: -87.805
flat angles P-C4'-P energy: -56.807
tors. eta vs tors. theta energy: -125.858
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: 2, replica: 8
=====================================
Write number: 307
Temperature: 0.950000
Total energy: -1311.848286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1311.848286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1311.848286 (E_RNA)
where:
Base-Base interactions energy: -896.734
where: short stacking energy: -409.242
Base-Backbone interact. energy: -2.911
local terms energy: -412.203353
where:
bonds (distance) C4'-P energy: -72.099
bonds (distance) P-C4' energy: -71.983
flat angles C4'-P-C4' energy: -82.864
flat angles P-C4'-P energy: -61.026
tors. eta vs tors. theta energy: -124.232
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: 3, replica: 6
=====================================
Write number: 307
Temperature: 1.000000
Total energy: -1305.757658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1305.757658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1305.757658 (E_RNA)
where:
Base-Base interactions energy: -917.771
where: short stacking energy: -378.498
Base-Backbone interact. energy: -2.124
local terms energy: -385.862307
where:
bonds (distance) C4'-P energy: -69.174
bonds (distance) P-C4' energy: -76.036
flat angles C4'-P-C4' energy: -82.421
flat angles P-C4'-P energy: -51.462
tors. eta vs tors. theta energy: -106.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 307
Temperature: 1.050000
Total energy: -1222.103810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1222.103810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1222.103810 (E_RNA)
where:
Base-Base interactions energy: -833.293
where: short stacking energy: -375.416
Base-Backbone interact. energy: -1.359
local terms energy: -387.954113
where:
bonds (distance) C4'-P energy: -75.012
bonds (distance) P-C4' energy: -65.781
flat angles C4'-P-C4' energy: -82.889
flat angles P-C4'-P energy: -57.349
tors. eta vs tors. theta energy: -106.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.502 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 307
Temperature: 1.100000
Total energy: -1179.872304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1179.872304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1179.872304 (E_RNA)
where:
Base-Base interactions energy: -805.859
where: short stacking energy: -346.300
Base-Backbone interact. energy: 1.816
local terms energy: -375.828918
where:
bonds (distance) C4'-P energy: -73.901
bonds (distance) P-C4' energy: -75.882
flat angles C4'-P-C4' energy: -73.156
flat angles P-C4'-P energy: -58.547
tors. eta vs tors. theta energy: -94.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 307
Temperature: 1.150000
Total energy: -1094.991430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1094.991430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1094.991430 (E_RNA)
where:
Base-Base interactions energy: -770.009
where: short stacking energy: -318.992
Base-Backbone interact. energy: -3.042
local terms energy: -321.940773
where:
bonds (distance) C4'-P energy: -63.015
bonds (distance) P-C4' energy: -60.140
flat angles C4'-P-C4' energy: -69.186
flat angles P-C4'-P energy: -48.618
tors. eta vs tors. theta energy: -80.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 307
Temperature: 1.200000
Total energy: -912.442846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -912.442846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -912.442846 (E_RNA)
where:
Base-Base interactions energy: -609.032
where: short stacking energy: -263.366
Base-Backbone interact. energy: -3.504
local terms energy: -299.906828
where:
bonds (distance) C4'-P energy: -62.611
bonds (distance) P-C4' energy: -52.455
flat angles C4'-P-C4' energy: -81.419
flat angles P-C4'-P energy: -44.782
tors. eta vs tors. theta energy: -58.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 307
Temperature: 1.250000
Total energy: -770.700831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -770.700831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -770.700831 (E_RNA)
where:
Base-Base interactions energy: -497.021
where: short stacking energy: -222.247
Base-Backbone interact. energy: -1.553
local terms energy: -272.126876
where:
bonds (distance) C4'-P energy: -58.081
bonds (distance) P-C4' energy: -70.637
flat angles C4'-P-C4' energy: -60.822
flat angles P-C4'-P energy: -31.755
tors. eta vs tors. theta energy: -50.833
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: 9, replica: 10
=====================================
Write number: 307
Temperature: 1.300000
Total energy: -731.358063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -731.358063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -731.358063 (E_RNA)
where:
Base-Base interactions energy: -473.517
where: short stacking energy: -217.562
Base-Backbone interact. energy: 6.344
local terms energy: -264.185294
where:
bonds (distance) C4'-P energy: -58.875
bonds (distance) P-C4' energy: -75.271
flat angles C4'-P-C4' energy: -68.668
flat angles P-C4'-P energy: -27.432
tors. eta vs tors. theta energy: -33.939
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: 4
=====================================
Write number: 307
Temperature: 1.350000
Total energy: -454.621184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.621184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.621184 (E_RNA)
where:
Base-Base interactions energy: -226.672
where: short stacking energy: -131.419
Base-Backbone interact. energy: -0.001
local terms energy: -227.948083
where:
bonds (distance) C4'-P energy: -55.500
bonds (distance) P-C4' energy: -65.082
flat angles C4'-P-C4' energy: -66.938
flat angles P-C4'-P energy: -34.143
tors. eta vs tors. theta energy: -6.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 308
Temperature: 0.900000
Total energy: -1418.695751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1418.695751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1418.695751 (E_RNA)
where:
Base-Base interactions energy: -990.078
where: short stacking energy: -421.412
Base-Backbone interact. energy: -2.138
local terms energy: -426.479826
where:
bonds (distance) C4'-P energy: -76.787
bonds (distance) P-C4' energy: -75.069
flat angles C4'-P-C4' energy: -89.939
flat angles P-C4'-P energy: -54.921
tors. eta vs tors. theta energy: -129.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 308
Temperature: 0.950000
Total energy: -1335.706157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1335.706157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1335.706157 (E_RNA)
where:
Base-Base interactions energy: -919.578
where: short stacking energy: -392.248
Base-Backbone interact. energy: -0.925
local terms energy: -415.202490
where:
bonds (distance) C4'-P energy: -87.865
bonds (distance) P-C4' energy: -81.760
flat angles C4'-P-C4' energy: -79.266
flat angles P-C4'-P energy: -49.345
tors. eta vs tors. theta energy: -116.967
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: 6
=====================================
Write number: 308
Temperature: 1.000000
Total energy: -1270.352810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1270.352810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1270.352810 (E_RNA)
where:
Base-Base interactions energy: -907.808
where: short stacking energy: -374.553
Base-Backbone interact. energy: -1.331
local terms energy: -361.214083
where:
bonds (distance) C4'-P energy: -63.704
bonds (distance) P-C4' energy: -77.396
flat angles C4'-P-C4' energy: -67.106
flat angles P-C4'-P energy: -50.861
tors. eta vs tors. theta energy: -102.147
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: 4, replica: 3
=====================================
Write number: 308
Temperature: 1.050000
Total energy: -1215.505378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1215.505378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1215.505378 (E_RNA)
where:
Base-Base interactions energy: -833.157
where: short stacking energy: -368.562
Base-Backbone interact. energy: -1.653
local terms energy: -380.695623
where:
bonds (distance) C4'-P energy: -76.156
bonds (distance) P-C4' energy: -66.010
flat angles C4'-P-C4' energy: -79.351
flat angles P-C4'-P energy: -53.528
tors. eta vs tors. theta energy: -105.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 308
Temperature: 1.100000
Total energy: -1186.060255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1186.060255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1186.060255 (E_RNA)
where:
Base-Base interactions energy: -826.703
where: short stacking energy: -344.429
Base-Backbone interact. energy: -2.109
local terms energy: -358.541539
where:
bonds (distance) C4'-P energy: -70.101
bonds (distance) P-C4' energy: -64.269
flat angles C4'-P-C4' energy: -70.799
flat angles P-C4'-P energy: -58.034
tors. eta vs tors. theta energy: -95.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.293 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 308
Temperature: 1.150000
Total energy: -1114.493890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1114.493890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1114.493890 (E_RNA)
where:
Base-Base interactions energy: -759.720
where: short stacking energy: -336.449
Base-Backbone interact. energy: 0.260
local terms energy: -355.033825
where:
bonds (distance) C4'-P energy: -66.368
bonds (distance) P-C4' energy: -77.279
flat angles C4'-P-C4' energy: -78.298
flat angles P-C4'-P energy: -38.025
tors. eta vs tors. theta energy: -95.065
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: 1
=====================================
Write number: 308
Temperature: 1.200000
Total energy: -913.618940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -913.618940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -913.618940 (E_RNA)
where:
Base-Base interactions energy: -604.470
where: short stacking energy: -277.366
Base-Backbone interact. energy: -0.982
local terms energy: -308.166790
where:
bonds (distance) C4'-P energy: -74.325
bonds (distance) P-C4' energy: -61.193
flat angles C4'-P-C4' energy: -65.427
flat angles P-C4'-P energy: -37.959
tors. eta vs tors. theta energy: -69.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 308
Temperature: 1.250000
Total energy: -777.896346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -777.896346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -777.896346 (E_RNA)
where:
Base-Base interactions energy: -510.441
where: short stacking energy: -219.155
Base-Backbone interact. energy: -0.955
local terms energy: -266.500649
where:
bonds (distance) C4'-P energy: -61.517
bonds (distance) P-C4' energy: -54.044
flat angles C4'-P-C4' energy: -60.975
flat angles P-C4'-P energy: -43.740
tors. eta vs tors. theta energy: -46.224
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: 10
=====================================
Write number: 308
Temperature: 1.300000
Total energy: -718.638602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -718.638602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -718.638602 (E_RNA)
where:
Base-Base interactions energy: -476.402
where: short stacking energy: -210.296
Base-Backbone interact. energy: 1.386
local terms energy: -243.622438
where:
bonds (distance) C4'-P energy: -48.167
bonds (distance) P-C4' energy: -59.716
flat angles C4'-P-C4' energy: -59.854
flat angles P-C4'-P energy: -36.767
tors. eta vs tors. theta energy: -39.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 308
Temperature: 1.350000
Total energy: -516.363401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.363401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.363401 (E_RNA)
where:
Base-Base interactions energy: -311.441
where: short stacking energy: -143.217
Base-Backbone interact. energy: -1.583
local terms energy: -203.340232
where:
bonds (distance) C4'-P energy: -51.386
bonds (distance) P-C4' energy: -61.181
flat angles C4'-P-C4' energy: -40.978
flat angles P-C4'-P energy: -27.410
tors. eta vs tors. theta energy: -22.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 309
Temperature: 0.900000
Total energy: -1403.460844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1403.460844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1403.460844 (E_RNA)
where:
Base-Base interactions energy: -976.058
where: short stacking energy: -414.983
Base-Backbone interact. energy: -2.789
local terms energy: -424.613968
where:
bonds (distance) C4'-P energy: -77.934
bonds (distance) P-C4' energy: -78.482
flat angles C4'-P-C4' energy: -87.692
flat angles P-C4'-P energy: -57.339
tors. eta vs tors. theta energy: -123.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 309
Temperature: 0.950000
Total energy: -1336.220831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1336.220831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1336.220831 (E_RNA)
where:
Base-Base interactions energy: -929.821
where: short stacking energy: -397.086
Base-Backbone interact. energy: -2.341
local terms energy: -404.059379
where:
bonds (distance) C4'-P energy: -72.734
bonds (distance) P-C4' energy: -73.450
flat angles C4'-P-C4' energy: -89.322
flat angles P-C4'-P energy: -46.176
tors. eta vs tors. theta energy: -122.376
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: 3, replica: 6
=====================================
Write number: 309
Temperature: 1.000000
Total energy: -1319.618694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1319.618694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1319.618694 (E_RNA)
where:
Base-Base interactions energy: -952.563
where: short stacking energy: -365.857
Base-Backbone interact. energy: -2.440
local terms energy: -364.615475
where:
bonds (distance) C4'-P energy: -66.642
bonds (distance) P-C4' energy: -72.955
flat angles C4'-P-C4' energy: -73.193
flat angles P-C4'-P energy: -51.559
tors. eta vs tors. theta energy: -100.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 309
Temperature: 1.050000
Total energy: -1217.125827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1217.125827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1217.125827 (E_RNA)
where:
Base-Base interactions energy: -853.727
where: short stacking energy: -376.220
Base-Backbone interact. energy: -0.877
local terms energy: -362.522180
where:
bonds (distance) C4'-P energy: -57.566
bonds (distance) P-C4' energy: -68.137
flat angles C4'-P-C4' energy: -86.759
flat angles P-C4'-P energy: -47.524
tors. eta vs tors. theta energy: -102.536
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: 7
=====================================
Write number: 309
Temperature: 1.100000
Total energy: -1175.005145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1175.005145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1175.005145 (E_RNA)
where:
Base-Base interactions energy: -797.092
where: short stacking energy: -328.746
Base-Backbone interact. energy: 1.649
local terms energy: -380.902430
where:
bonds (distance) C4'-P energy: -81.020
bonds (distance) P-C4' energy: -75.295
flat angles C4'-P-C4' energy: -79.033
flat angles P-C4'-P energy: -52.303
tors. eta vs tors. theta energy: -93.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.341 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 309
Temperature: 1.150000
Total energy: -1103.781962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1103.781962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1103.781962 (E_RNA)
where:
Base-Base interactions energy: -765.132
where: short stacking energy: -302.574
Base-Backbone interact. energy: -0.330
local terms energy: -338.320090
where:
bonds (distance) C4'-P energy: -60.423
bonds (distance) P-C4' energy: -69.284
flat angles C4'-P-C4' energy: -71.578
flat angles P-C4'-P energy: -52.009
tors. eta vs tors. theta energy: -85.026
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: 1
=====================================
Write number: 309
Temperature: 1.200000
Total energy: -910.235180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -910.235180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -910.235180 (E_RNA)
where:
Base-Base interactions energy: -604.528
where: short stacking energy: -274.467
Base-Backbone interact. energy: -2.124
local terms energy: -303.583206
where:
bonds (distance) C4'-P energy: -63.401
bonds (distance) P-C4' energy: -55.083
flat angles C4'-P-C4' energy: -85.715
flat angles P-C4'-P energy: -32.423
tors. eta vs tors. theta energy: -66.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 309
Temperature: 1.250000
Total energy: -819.045848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -819.045848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -819.045848 (E_RNA)
where:
Base-Base interactions energy: -554.457
where: short stacking energy: -261.059
Base-Backbone interact. energy: -0.422
local terms energy: -264.166749
where:
bonds (distance) C4'-P energy: -37.932
bonds (distance) P-C4' energy: -68.534
flat angles C4'-P-C4' energy: -64.615
flat angles P-C4'-P energy: -26.087
tors. eta vs tors. theta energy: -66.999
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: 10
=====================================
Write number: 309
Temperature: 1.300000
Total energy: -724.481986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -724.481986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -724.481986 (E_RNA)
where:
Base-Base interactions energy: -474.105
where: short stacking energy: -228.704
Base-Backbone interact. energy: 1.831
local terms energy: -252.207856
where:
bonds (distance) C4'-P energy: -64.439
bonds (distance) P-C4' energy: -51.707
flat angles C4'-P-C4' energy: -56.999
flat angles P-C4'-P energy: -34.715
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: 10, replica: 4
=====================================
Write number: 309
Temperature: 1.350000
Total energy: -478.466982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.466982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.466982 (E_RNA)
where:
Base-Base interactions energy: -266.046
where: short stacking energy: -151.842
Base-Backbone interact. energy: 0.038
local terms energy: -212.458935
where:
bonds (distance) C4'-P energy: -53.956
bonds (distance) P-C4' energy: -59.504
flat angles C4'-P-C4' energy: -54.612
flat angles P-C4'-P energy: -22.262
tors. eta vs tors. theta energy: -22.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 310
Temperature: 0.900000
Total energy: -1414.838752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1414.838752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1414.838752 (E_RNA)
where:
Base-Base interactions energy: -975.202
where: short stacking energy: -412.759
Base-Backbone interact. energy: -1.772
local terms energy: -437.865167
where:
bonds (distance) C4'-P energy: -81.830
bonds (distance) P-C4' energy: -81.063
flat angles C4'-P-C4' energy: -84.864
flat angles P-C4'-P energy: -67.514
tors. eta vs tors. theta energy: -122.595
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: 8
=====================================
Write number: 310
Temperature: 0.950000
Total energy: -1325.939728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1325.939728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1325.939728 (E_RNA)
where:
Base-Base interactions energy: -913.833
where: short stacking energy: -399.537
Base-Backbone interact. energy: -1.611
local terms energy: -410.495666
where:
bonds (distance) C4'-P energy: -69.180
bonds (distance) P-C4' energy: -77.055
flat angles C4'-P-C4' energy: -87.785
flat angles P-C4'-P energy: -59.121
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: 3, replica: 6
=====================================
Write number: 310
Temperature: 1.000000
Total energy: -1329.819620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1329.819620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1329.819620 (E_RNA)
where:
Base-Base interactions energy: -952.923
where: short stacking energy: -374.363
Base-Backbone interact. energy: -2.313
local terms energy: -374.583597
where:
bonds (distance) C4'-P energy: -67.823
bonds (distance) P-C4' energy: -75.286
flat angles C4'-P-C4' energy: -80.578
flat angles P-C4'-P energy: -52.994
tors. eta vs tors. theta energy: -97.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 310
Temperature: 1.050000
Total energy: -1236.797529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1236.797529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1236.797529 (E_RNA)
where:
Base-Base interactions energy: -840.911
where: short stacking energy: -371.942
Base-Backbone interact. energy: -2.193
local terms energy: -393.693932
where:
bonds (distance) C4'-P energy: -64.499
bonds (distance) P-C4' energy: -79.007
flat angles C4'-P-C4' energy: -89.549
flat angles P-C4'-P energy: -54.379
tors. eta vs tors. theta energy: -106.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 310
Temperature: 1.100000
Total energy: -1181.705076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1181.705076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1181.705076 (E_RNA)
where:
Base-Base interactions energy: -823.285
where: short stacking energy: -340.464
Base-Backbone interact. energy: -2.745
local terms energy: -355.674690
where:
bonds (distance) C4'-P energy: -61.914
bonds (distance) P-C4' energy: -66.220
flat angles C4'-P-C4' energy: -67.774
flat angles P-C4'-P energy: -52.511
tors. eta vs tors. theta energy: -107.257
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: 9
=====================================
Write number: 310
Temperature: 1.150000
Total energy: -1067.071673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1067.071673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1067.071673 (E_RNA)
where:
Base-Base interactions energy: -718.854
where: short stacking energy: -285.587
Base-Backbone interact. energy: -1.171
local terms energy: -347.046811
where:
bonds (distance) C4'-P energy: -64.108
bonds (distance) P-C4' energy: -68.971
flat angles C4'-P-C4' energy: -79.064
flat angles P-C4'-P energy: -55.130
tors. eta vs tors. theta energy: -79.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 310
Temperature: 1.200000
Total energy: -900.725694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -900.725694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -900.725694 (E_RNA)
where:
Base-Base interactions energy: -589.707
where: short stacking energy: -268.451
Base-Backbone interact. energy: -2.482
local terms energy: -308.536184
where:
bonds (distance) C4'-P energy: -73.366
bonds (distance) P-C4' energy: -59.141
flat angles C4'-P-C4' energy: -68.160
flat angles P-C4'-P energy: -52.319
tors. eta vs tors. theta energy: -55.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 310
Temperature: 1.250000
Total energy: -756.547287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -756.547287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -756.547287 (E_RNA)
where:
Base-Base interactions energy: -474.595
where: short stacking energy: -194.138
Base-Backbone interact. energy: -1.553
local terms energy: -280.398741
where:
bonds (distance) C4'-P energy: -58.458
bonds (distance) P-C4' energy: -74.982
flat angles C4'-P-C4' energy: -61.817
flat angles P-C4'-P energy: -46.669
tors. eta vs tors. theta energy: -38.473
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: 10
=====================================
Write number: 310
Temperature: 1.300000
Total energy: -701.345539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -701.345539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -701.345539 (E_RNA)
where:
Base-Base interactions energy: -432.485
where: short stacking energy: -200.795
Base-Backbone interact. energy: 2.685
local terms energy: -271.546050
where:
bonds (distance) C4'-P energy: -67.471
bonds (distance) P-C4' energy: -66.505
flat angles C4'-P-C4' energy: -70.698
flat angles P-C4'-P energy: -38.099
tors. eta vs tors. theta energy: -28.773
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: 4
=====================================
Write number: 310
Temperature: 1.350000
Total energy: -515.553415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.553415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.553415 (E_RNA)
where:
Base-Base interactions energy: -300.684
where: short stacking energy: -142.724
Base-Backbone interact. energy: -0.886
local terms energy: -213.982720
where:
bonds (distance) C4'-P energy: -61.975
bonds (distance) P-C4' energy: -42.160
flat angles C4'-P-C4' energy: -46.873
flat angles P-C4'-P energy: -49.079
tors. eta vs tors. theta energy: -13.896
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: 1, replica: 5
=====================================
Write number: 311
Temperature: 0.900000
Total energy: -1419.940409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1419.940409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1419.940409 (E_RNA)
where:
Base-Base interactions energy: -996.968
where: short stacking energy: -425.364
Base-Backbone interact. energy: -1.203
local terms energy: -421.770015
where:
bonds (distance) C4'-P energy: -81.468
bonds (distance) P-C4' energy: -78.833
flat angles C4'-P-C4' energy: -85.152
flat angles P-C4'-P energy: -56.785
tors. eta vs tors. theta energy: -119.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 311
Temperature: 0.950000
Total energy: -1336.602203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1336.602203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1336.602203 (E_RNA)
where:
Base-Base interactions energy: -927.855
where: short stacking energy: -397.702
Base-Backbone interact. energy: -1.483
local terms energy: -407.264698
where:
bonds (distance) C4'-P energy: -69.806
bonds (distance) P-C4' energy: -77.735
flat angles C4'-P-C4' energy: -88.527
flat angles P-C4'-P energy: -52.289
tors. eta vs tors. theta energy: -118.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 311
Temperature: 1.000000
Total energy: -1305.709426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1305.709426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1305.709426 (E_RNA)
where:
Base-Base interactions energy: -921.349
where: short stacking energy: -362.625
Base-Backbone interact. energy: -1.977
local terms energy: -382.383460
where:
bonds (distance) C4'-P energy: -70.137
bonds (distance) P-C4' energy: -73.529
flat angles C4'-P-C4' energy: -79.621
flat angles P-C4'-P energy: -57.330
tors. eta vs tors. theta energy: -101.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 311
Temperature: 1.050000
Total energy: -1251.179581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1251.179581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1251.179581 (E_RNA)
where:
Base-Base interactions energy: -853.139
where: short stacking energy: -357.753
Base-Backbone interact. energy: 4.470
local terms energy: -402.510593
where:
bonds (distance) C4'-P energy: -78.155
bonds (distance) P-C4' energy: -79.435
flat angles C4'-P-C4' energy: -86.914
flat angles P-C4'-P energy: -57.068
tors. eta vs tors. theta energy: -100.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 311
Temperature: 1.100000
Total energy: -1183.297907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1183.297907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1183.297907 (E_RNA)
where:
Base-Base interactions energy: -819.693
where: short stacking energy: -345.383
Base-Backbone interact. energy: -1.035
local terms energy: -362.570741
where:
bonds (distance) C4'-P energy: -64.265
bonds (distance) P-C4' energy: -73.047
flat angles C4'-P-C4' energy: -76.328
flat angles P-C4'-P energy: -50.078
tors. eta vs tors. theta energy: -98.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 311
Temperature: 1.150000
Total energy: -1111.897839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1111.897839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1111.897839 (E_RNA)
where:
Base-Base interactions energy: -778.370
where: short stacking energy: -312.784
Base-Backbone interact. energy: -1.936
local terms energy: -331.592191
where:
bonds (distance) C4'-P energy: -66.572
bonds (distance) P-C4' energy: -76.212
flat angles C4'-P-C4' energy: -59.435
flat angles P-C4'-P energy: -49.336
tors. eta vs tors. theta energy: -80.038
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: 7, replica: 1
=====================================
Write number: 311
Temperature: 1.200000
Total energy: -902.605841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -902.605841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -902.605841 (E_RNA)
where:
Base-Base interactions energy: -578.162
where: short stacking energy: -244.061
Base-Backbone interact. energy: 5.056
local terms energy: -329.500023
where:
bonds (distance) C4'-P energy: -64.992
bonds (distance) P-C4' energy: -79.636
flat angles C4'-P-C4' energy: -78.788
flat angles P-C4'-P energy: -52.301
tors. eta vs tors. theta energy: -53.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 311
Temperature: 1.250000
Total energy: -837.349823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -837.349823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -837.349823 (E_RNA)
where:
Base-Base interactions energy: -552.248
where: short stacking energy: -249.045
Base-Backbone interact. energy: 6.712
local terms energy: -291.813729
where:
bonds (distance) C4'-P energy: -53.166
bonds (distance) P-C4' energy: -67.183
flat angles C4'-P-C4' energy: -65.173
flat angles P-C4'-P energy: -43.537
tors. eta vs tors. theta energy: -62.755
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: 10
=====================================
Write number: 311
Temperature: 1.300000
Total energy: -650.048099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -650.048099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -650.048099 (E_RNA)
where:
Base-Base interactions energy: -416.729
where: short stacking energy: -197.224
Base-Backbone interact. energy: -3.398
local terms energy: -230.295937
where:
bonds (distance) C4'-P energy: -62.333
bonds (distance) P-C4' energy: -71.208
flat angles C4'-P-C4' energy: -53.891
flat angles P-C4'-P energy: -26.506
tors. eta vs tors. theta energy: -16.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.375 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 311
Temperature: 1.350000
Total energy: -533.164505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.164505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.164505 (E_RNA)
where:
Base-Base interactions energy: -302.008
where: short stacking energy: -148.377
Base-Backbone interact. energy: 1.103
local terms energy: -232.259340
where:
bonds (distance) C4'-P energy: -64.005
bonds (distance) P-C4' energy: -63.467
flat angles C4'-P-C4' energy: -62.076
flat angles P-C4'-P energy: -21.729
tors. eta vs tors. theta energy: -20.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 312
Temperature: 0.900000
Total energy: -1412.003904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1412.003904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1412.003904 (E_RNA)
where:
Base-Base interactions energy: -988.446
where: short stacking energy: -422.639
Base-Backbone interact. energy: -1.994
local terms energy: -421.563719
where:
bonds (distance) C4'-P energy: -79.728
bonds (distance) P-C4' energy: -72.943
flat angles C4'-P-C4' energy: -88.751
flat angles P-C4'-P energy: -60.973
tors. eta vs tors. theta energy: -119.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 312
Temperature: 0.950000
Total energy: -1319.540116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1319.540116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1319.540116 (E_RNA)
where:
Base-Base interactions energy: -912.166
where: short stacking energy: -391.196
Base-Backbone interact. energy: -2.082
local terms energy: -405.291668
where:
bonds (distance) C4'-P energy: -70.814
bonds (distance) P-C4' energy: -79.355
flat angles C4'-P-C4' energy: -81.128
flat angles P-C4'-P energy: -55.896
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: 6
=====================================
Write number: 312
Temperature: 1.000000
Total energy: -1306.682987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1306.682987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1306.682987 (E_RNA)
where:
Base-Base interactions energy: -917.452
where: short stacking energy: -363.834
Base-Backbone interact. energy: -0.332
local terms energy: -388.898795
where:
bonds (distance) C4'-P energy: -70.708
bonds (distance) P-C4' energy: -79.870
flat angles C4'-P-C4' energy: -79.128
flat angles P-C4'-P energy: -58.073
tors. eta vs tors. theta energy: -101.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 312
Temperature: 1.050000
Total energy: -1213.313826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1213.313826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1213.313826 (E_RNA)
where:
Base-Base interactions energy: -833.098
where: short stacking energy: -369.371
Base-Backbone interact. energy: -1.116
local terms energy: -379.099791
where:
bonds (distance) C4'-P energy: -69.430
bonds (distance) P-C4' energy: -78.442
flat angles C4'-P-C4' energy: -71.619
flat angles P-C4'-P energy: -63.615
tors. eta vs tors. theta energy: -95.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 312
Temperature: 1.100000
Total energy: -1179.892407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1179.892407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1179.892407 (E_RNA)
where:
Base-Base interactions energy: -808.455
where: short stacking energy: -344.767
Base-Backbone interact. energy: 0.707
local terms energy: -372.144578
where:
bonds (distance) C4'-P energy: -65.587
bonds (distance) P-C4' energy: -77.219
flat angles C4'-P-C4' energy: -79.617
flat angles P-C4'-P energy: -46.927
tors. eta vs tors. theta energy: -102.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 312
Temperature: 1.150000
Total energy: -1085.673204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1085.673204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1085.673204 (E_RNA)
where:
Base-Base interactions energy: -759.815
where: short stacking energy: -320.307
Base-Backbone interact. energy: -1.149
local terms energy: -324.709666
where:
bonds (distance) C4'-P energy: -61.145
bonds (distance) P-C4' energy: -60.810
flat angles C4'-P-C4' energy: -72.886
flat angles P-C4'-P energy: -54.679
tors. eta vs tors. theta energy: -75.190
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: 1
=====================================
Write number: 312
Temperature: 1.200000
Total energy: -900.544920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -900.544920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -900.544920 (E_RNA)
where:
Base-Base interactions energy: -593.972
where: short stacking energy: -262.657
Base-Backbone interact. energy: -1.710
local terms energy: -304.863878
where:
bonds (distance) C4'-P energy: -56.438
bonds (distance) P-C4' energy: -68.796
flat angles C4'-P-C4' energy: -72.332
flat angles P-C4'-P energy: -40.377
tors. eta vs tors. theta energy: -66.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 312
Temperature: 1.250000
Total energy: -790.567612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -790.567612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -790.567612 (E_RNA)
where:
Base-Base interactions energy: -519.489
where: short stacking energy: -217.621
Base-Backbone interact. energy: 3.598
local terms energy: -274.676312
where:
bonds (distance) C4'-P energy: -78.596
bonds (distance) P-C4' energy: -57.071
flat angles C4'-P-C4' energy: -67.723
flat angles P-C4'-P energy: -34.553
tors. eta vs tors. theta energy: -36.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 312
Temperature: 1.300000
Total energy: -706.958901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -706.958901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -706.958901 (E_RNA)
where:
Base-Base interactions energy: -448.287
where: short stacking energy: -182.173
Base-Backbone interact. energy: 1.086
local terms energy: -259.758155
where:
bonds (distance) C4'-P energy: -60.800
bonds (distance) P-C4' energy: -57.956
flat angles C4'-P-C4' energy: -69.746
flat angles P-C4'-P energy: -33.369
tors. eta vs tors. theta energy: -37.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 312
Temperature: 1.350000
Total energy: -485.062018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.062018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.062018 (E_RNA)
where:
Base-Base interactions energy: -273.339
where: short stacking energy: -148.812
Base-Backbone interact. energy: -0.574
local terms energy: -211.148752
where:
bonds (distance) C4'-P energy: -48.642
bonds (distance) P-C4' energy: -63.455
flat angles C4'-P-C4' energy: -50.578
flat angles P-C4'-P energy: -41.030
tors. eta vs tors. theta energy: -7.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 313
Temperature: 0.900000
Total energy: -1393.811688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1393.811688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1393.811688 (E_RNA)
where:
Base-Base interactions energy: -968.878
where: short stacking energy: -394.235
Base-Backbone interact. energy: -0.074
local terms energy: -424.859850
where:
bonds (distance) C4'-P energy: -78.520
bonds (distance) P-C4' energy: -82.162
flat angles C4'-P-C4' energy: -85.509
flat angles P-C4'-P energy: -62.340
tors. eta vs tors. theta energy: -116.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 313
Temperature: 0.950000
Total energy: -1349.737390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1349.737390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1349.737390 (E_RNA)
where:
Base-Base interactions energy: -918.721
where: short stacking energy: -394.411
Base-Backbone interact. energy: -1.338
local terms energy: -429.678734
where:
bonds (distance) C4'-P energy: -80.845
bonds (distance) P-C4' energy: -79.118
flat angles C4'-P-C4' energy: -87.485
flat angles P-C4'-P energy: -63.940
tors. eta vs tors. theta energy: -118.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 313
Temperature: 1.000000
Total energy: -1285.691968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1285.691968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1285.691968 (E_RNA)
where:
Base-Base interactions energy: -894.510
where: short stacking energy: -375.367
Base-Backbone interact. energy: -2.519
local terms energy: -388.662950
where:
bonds (distance) C4'-P energy: -67.052
bonds (distance) P-C4' energy: -67.541
flat angles C4'-P-C4' energy: -87.612
flat angles P-C4'-P energy: -60.330
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: 4, replica: 3
=====================================
Write number: 313
Temperature: 1.050000
Total energy: -1223.532400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1223.532400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1223.532400 (E_RNA)
where:
Base-Base interactions energy: -854.943
where: short stacking energy: -355.923
Base-Backbone interact. energy: -0.739
local terms energy: -367.850275
where:
bonds (distance) C4'-P energy: -68.158
bonds (distance) P-C4' energy: -65.069
flat angles C4'-P-C4' energy: -80.105
flat angles P-C4'-P energy: -52.090
tors. eta vs tors. theta energy: -102.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 313
Temperature: 1.100000
Total energy: -1162.256531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1162.256531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1162.256531 (E_RNA)
where:
Base-Base interactions energy: -778.536
where: short stacking energy: -322.147
Base-Backbone interact. energy: -1.499
local terms energy: -382.222274
where:
bonds (distance) C4'-P energy: -76.032
bonds (distance) P-C4' energy: -74.228
flat angles C4'-P-C4' energy: -83.708
flat angles P-C4'-P energy: -52.493
tors. eta vs tors. theta energy: -95.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 313
Temperature: 1.150000
Total energy: -1104.814178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1104.814178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1104.814178 (E_RNA)
where:
Base-Base interactions energy: -766.205
where: short stacking energy: -311.883
Base-Backbone interact. energy: -1.530
local terms energy: -337.078642
where:
bonds (distance) C4'-P energy: -59.861
bonds (distance) P-C4' energy: -69.262
flat angles C4'-P-C4' energy: -74.891
flat angles P-C4'-P energy: -47.543
tors. eta vs tors. theta energy: -85.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 313
Temperature: 1.200000
Total energy: -873.051984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -873.051984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -873.051984 (E_RNA)
where:
Base-Base interactions energy: -595.059
where: short stacking energy: -254.778
Base-Backbone interact. energy: 0.636
local terms energy: -278.629139
where:
bonds (distance) C4'-P energy: -58.140
bonds (distance) P-C4' energy: -53.067
flat angles C4'-P-C4' energy: -61.519
flat angles P-C4'-P energy: -44.338
tors. eta vs tors. theta energy: -61.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 313
Temperature: 1.250000
Total energy: -884.821629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -884.821629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -884.821629 (E_RNA)
where:
Base-Base interactions energy: -588.058
where: short stacking energy: -235.652
Base-Backbone interact. energy: 0.156
local terms energy: -296.919422
where:
bonds (distance) C4'-P energy: -66.729
bonds (distance) P-C4' energy: -54.667
flat angles C4'-P-C4' energy: -69.546
flat angles P-C4'-P energy: -46.805
tors. eta vs tors. theta energy: -59.172
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: 10
=====================================
Write number: 313
Temperature: 1.300000
Total energy: -669.167933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -669.167933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -669.167933 (E_RNA)
where:
Base-Base interactions energy: -399.123
where: short stacking energy: -180.129
Base-Backbone interact. energy: -0.582
local terms energy: -270.416867
where:
bonds (distance) C4'-P energy: -66.560
bonds (distance) P-C4' energy: -69.435
flat angles C4'-P-C4' energy: -69.245
flat angles P-C4'-P energy: -35.621
tors. eta vs tors. theta energy: -29.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.954 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 313
Temperature: 1.350000
Total energy: -553.621185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.621185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.621185 (E_RNA)
where:
Base-Base interactions energy: -306.578
where: short stacking energy: -147.189
Base-Backbone interact. energy: -0.959
local terms energy: -246.084779
where:
bonds (distance) C4'-P energy: -59.127
bonds (distance) P-C4' energy: -81.236
flat angles C4'-P-C4' energy: -65.058
flat angles P-C4'-P energy: -40.193
tors. eta vs tors. theta energy: -0.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 314
Temperature: 0.900000
Total energy: -1401.780636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1401.780636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1401.780636 (E_RNA)
where:
Base-Base interactions energy: -983.421
where: short stacking energy: -414.473
Base-Backbone interact. energy: 1.242
local terms energy: -419.600977
where:
bonds (distance) C4'-P energy: -73.983
bonds (distance) P-C4' energy: -75.424
flat angles C4'-P-C4' energy: -84.951
flat angles P-C4'-P energy: -63.839
tors. eta vs tors. theta energy: -121.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 314
Temperature: 0.950000
Total energy: -1347.608514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1347.608514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1347.608514 (E_RNA)
where:
Base-Base interactions energy: -935.535
where: short stacking energy: -406.966
Base-Backbone interact. energy: -2.017
local terms energy: -410.056927
where:
bonds (distance) C4'-P energy: -64.226
bonds (distance) P-C4' energy: -76.668
flat angles C4'-P-C4' energy: -82.968
flat angles P-C4'-P energy: -63.318
tors. eta vs tors. theta energy: -122.878
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: 3, replica: 6
=====================================
Write number: 314
Temperature: 1.000000
Total energy: -1280.522952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1280.522952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1280.522952 (E_RNA)
where:
Base-Base interactions energy: -912.542
where: short stacking energy: -364.578
Base-Backbone interact. energy: -2.404
local terms energy: -365.576773
where:
bonds (distance) C4'-P energy: -77.772
bonds (distance) P-C4' energy: -63.450
flat angles C4'-P-C4' energy: -75.584
flat angles P-C4'-P energy: -53.639
tors. eta vs tors. theta energy: -95.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 314
Temperature: 1.050000
Total energy: -1212.783982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1212.783982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1212.783982 (E_RNA)
where:
Base-Base interactions energy: -871.881
where: short stacking energy: -357.300
Base-Backbone interact. energy: -0.600
local terms energy: -340.302866
where:
bonds (distance) C4'-P energy: -52.694
bonds (distance) P-C4' energy: -63.633
flat angles C4'-P-C4' energy: -79.649
flat angles P-C4'-P energy: -49.334
tors. eta vs tors. theta energy: -94.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 314
Temperature: 1.100000
Total energy: -1151.349931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1151.349931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1151.349931 (E_RNA)
where:
Base-Base interactions energy: -806.456
where: short stacking energy: -347.626
Base-Backbone interact. energy: -3.666
local terms energy: -341.227989
where:
bonds (distance) C4'-P energy: -52.381
bonds (distance) P-C4' energy: -77.164
flat angles C4'-P-C4' energy: -75.948
flat angles P-C4'-P energy: -49.049
tors. eta vs tors. theta energy: -86.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 314
Temperature: 1.150000
Total energy: -1123.742530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1123.742530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1123.742530 (E_RNA)
where:
Base-Base interactions energy: -779.803
where: short stacking energy: -323.990
Base-Backbone interact. energy: -1.709
local terms energy: -342.230882
where:
bonds (distance) C4'-P energy: -64.164
bonds (distance) P-C4' energy: -69.172
flat angles C4'-P-C4' energy: -70.432
flat angles P-C4'-P energy: -52.311
tors. eta vs tors. theta energy: -86.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 314
Temperature: 1.200000
Total energy: -951.888469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -951.888469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -951.888469 (E_RNA)
where:
Base-Base interactions energy: -644.523
where: short stacking energy: -285.446
Base-Backbone interact. energy: -2.540
local terms energy: -304.826019
where:
bonds (distance) C4'-P energy: -48.416
bonds (distance) P-C4' energy: -75.784
flat angles C4'-P-C4' energy: -81.515
flat angles P-C4'-P energy: -36.597
tors. eta vs tors. theta energy: -62.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 314
Temperature: 1.250000
Total energy: -882.707812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -882.707812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -882.707812 (E_RNA)
where:
Base-Base interactions energy: -585.678
where: short stacking energy: -245.918
Base-Backbone interact. energy: -0.417
local terms energy: -296.612748
where:
bonds (distance) C4'-P energy: -58.927
bonds (distance) P-C4' energy: -71.124
flat angles C4'-P-C4' energy: -74.231
flat angles P-C4'-P energy: -42.908
tors. eta vs tors. theta energy: -49.423
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: 9, replica: 10
=====================================
Write number: 314
Temperature: 1.300000
Total energy: -681.395153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -681.395153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -681.395153 (E_RNA)
where:
Base-Base interactions energy: -418.064
where: short stacking energy: -186.906
Base-Backbone interact. energy: 1.438
local terms energy: -264.769385
where:
bonds (distance) C4'-P energy: -62.857
bonds (distance) P-C4' energy: -66.685
flat angles C4'-P-C4' energy: -65.647
flat angles P-C4'-P energy: -40.923
tors. eta vs tors. theta energy: -28.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 314
Temperature: 1.350000
Total energy: -569.418703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -569.418703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -569.418703 (E_RNA)
where:
Base-Base interactions energy: -341.717
where: short stacking energy: -164.835
Base-Backbone interact. energy: 0.179
local terms energy: -227.881004
where:
bonds (distance) C4'-P energy: -54.006
bonds (distance) P-C4' energy: -56.356
flat angles C4'-P-C4' energy: -53.865
flat angles P-C4'-P energy: -30.859
tors. eta vs tors. theta energy: -32.795
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: 5
=====================================
Write number: 315
Temperature: 0.900000
Total energy: -1402.849184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1402.849184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1402.849184 (E_RNA)
where:
Base-Base interactions energy: -963.207
where: short stacking energy: -410.538
Base-Backbone interact. energy: -3.071
local terms energy: -436.571556
where:
bonds (distance) C4'-P energy: -79.067
bonds (distance) P-C4' energy: -87.126
flat angles C4'-P-C4' energy: -85.772
flat angles P-C4'-P energy: -60.136
tors. eta vs tors. theta energy: -124.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 315
Temperature: 0.950000
Total energy: -1332.807830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1332.807830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1332.807830 (E_RNA)
where:
Base-Base interactions energy: -929.856
where: short stacking energy: -392.190
Base-Backbone interact. energy: -1.736
local terms energy: -401.216237
where:
bonds (distance) C4'-P energy: -61.731
bonds (distance) P-C4' energy: -83.830
flat angles C4'-P-C4' energy: -85.763
flat angles P-C4'-P energy: -54.316
tors. eta vs tors. theta energy: -115.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 315
Temperature: 1.000000
Total energy: -1286.813166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1286.813166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1286.813166 (E_RNA)
where:
Base-Base interactions energy: -892.064
where: short stacking energy: -360.695
Base-Backbone interact. energy: -3.747
local terms energy: -391.001755
where:
bonds (distance) C4'-P energy: -69.346
bonds (distance) P-C4' energy: -80.470
flat angles C4'-P-C4' energy: -79.690
flat angles P-C4'-P energy: -61.216
tors. eta vs tors. theta energy: -100.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 315
Temperature: 1.050000
Total energy: -1228.284746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1228.284746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1228.284746 (E_RNA)
where:
Base-Base interactions energy: -864.637
where: short stacking energy: -367.720
Base-Backbone interact. energy: -1.738
local terms energy: -361.910542
where:
bonds (distance) C4'-P energy: -63.437
bonds (distance) P-C4' energy: -68.112
flat angles C4'-P-C4' energy: -81.291
flat angles P-C4'-P energy: -53.444
tors. eta vs tors. theta energy: -95.627
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: 7
=====================================
Write number: 315
Temperature: 1.100000
Total energy: -1111.421353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1111.421353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1111.421353 (E_RNA)
where:
Base-Base interactions energy: -765.246
where: short stacking energy: -319.645
Base-Backbone interact. energy: -1.193
local terms energy: -344.982618
where:
bonds (distance) C4'-P energy: -64.344
bonds (distance) P-C4' energy: -66.141
flat angles C4'-P-C4' energy: -78.244
flat angles P-C4'-P energy: -47.540
tors. eta vs tors. theta energy: -88.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 315
Temperature: 1.150000
Total energy: -1101.648219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1101.648219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1101.648219 (E_RNA)
where:
Base-Base interactions energy: -768.168
where: short stacking energy: -317.847
Base-Backbone interact. energy: -1.412
local terms energy: -332.068060
where:
bonds (distance) C4'-P energy: -63.442
bonds (distance) P-C4' energy: -63.136
flat angles C4'-P-C4' energy: -76.350
flat angles P-C4'-P energy: -45.842
tors. eta vs tors. theta energy: -83.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 315
Temperature: 1.200000
Total energy: -912.551653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -912.551653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -912.551653 (E_RNA)
where:
Base-Base interactions energy: -603.645
where: short stacking energy: -255.665
Base-Backbone interact. energy: 0.910
local terms energy: -309.816655
where:
bonds (distance) C4'-P energy: -62.623
bonds (distance) P-C4' energy: -64.904
flat angles C4'-P-C4' energy: -70.083
flat angles P-C4'-P energy: -47.157
tors. eta vs tors. theta energy: -65.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 315
Temperature: 1.250000
Total energy: -859.132268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -859.132268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -859.132268 (E_RNA)
where:
Base-Base interactions energy: -572.500
where: short stacking energy: -244.714
Base-Backbone interact. energy: -2.124
local terms energy: -284.508888
where:
bonds (distance) C4'-P energy: -65.222
bonds (distance) P-C4' energy: -68.711
flat angles C4'-P-C4' energy: -57.322
flat angles P-C4'-P energy: -43.083
tors. eta vs tors. theta energy: -50.170
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: 10
=====================================
Write number: 315
Temperature: 1.300000
Total energy: -635.854618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -635.854618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -635.854618 (E_RNA)
where:
Base-Base interactions energy: -401.791
where: short stacking energy: -172.773
Base-Backbone interact. energy: -0.535
local terms energy: -233.528648
where:
bonds (distance) C4'-P energy: -56.817
bonds (distance) P-C4' energy: -63.531
flat angles C4'-P-C4' energy: -56.887
flat angles P-C4'-P energy: -35.636
tors. eta vs tors. theta energy: -20.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 315
Temperature: 1.350000
Total energy: -528.815973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.815973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.815973 (E_RNA)
where:
Base-Base interactions energy: -288.329
where: short stacking energy: -141.155
Base-Backbone interact. energy: -0.161
local terms energy: -240.326050
where:
bonds (distance) C4'-P energy: -75.875
bonds (distance) P-C4' energy: -67.589
flat angles C4'-P-C4' energy: -46.969
flat angles P-C4'-P energy: -40.588
tors. eta vs tors. theta energy: -9.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 316
Temperature: 0.900000
Total energy: -1394.433703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1394.433703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1394.433703 (E_RNA)
where:
Base-Base interactions energy: -985.987
where: short stacking energy: -411.131
Base-Backbone interact. energy: 2.640
local terms energy: -411.086663
where:
bonds (distance) C4'-P energy: -77.267
bonds (distance) P-C4' energy: -77.729
flat angles C4'-P-C4' energy: -81.553
flat angles P-C4'-P energy: -60.259
tors. eta vs tors. theta energy: -114.279
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: 2, replica: 8
=====================================
Write number: 316
Temperature: 0.950000
Total energy: -1322.941793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1322.941793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1322.941793 (E_RNA)
where:
Base-Base interactions energy: -933.632
where: short stacking energy: -404.488
Base-Backbone interact. energy: -2.237
local terms energy: -387.072774
where:
bonds (distance) C4'-P energy: -77.225
bonds (distance) P-C4' energy: -67.193
flat angles C4'-P-C4' energy: -81.438
flat angles P-C4'-P energy: -44.950
tors. eta vs tors. theta energy: -116.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 316
Temperature: 1.000000
Total energy: -1273.121231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1273.121231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1273.121231 (E_RNA)
where:
Base-Base interactions energy: -882.034
where: short stacking energy: -349.453
Base-Backbone interact. energy: -2.022
local terms energy: -389.065160
where:
bonds (distance) C4'-P energy: -71.341
bonds (distance) P-C4' energy: -79.942
flat angles C4'-P-C4' energy: -88.157
flat angles P-C4'-P energy: -46.384
tors. eta vs tors. theta energy: -103.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 316
Temperature: 1.050000
Total energy: -1253.903315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1253.903315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1253.903315 (E_RNA)
where:
Base-Base interactions energy: -890.798
where: short stacking energy: -351.281
Base-Backbone interact. energy: -2.432
local terms energy: -360.673527
where:
bonds (distance) C4'-P energy: -66.240
bonds (distance) P-C4' energy: -75.444
flat angles C4'-P-C4' energy: -74.200
flat angles P-C4'-P energy: -51.549
tors. eta vs tors. theta energy: -93.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 316
Temperature: 1.100000
Total energy: -1138.402520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1138.402520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1138.402520 (E_RNA)
where:
Base-Base interactions energy: -795.148
where: short stacking energy: -311.862
Base-Backbone interact. energy: -1.670
local terms energy: -341.585319
where:
bonds (distance) C4'-P energy: -75.837
bonds (distance) P-C4' energy: -65.787
flat angles C4'-P-C4' energy: -72.564
flat angles P-C4'-P energy: -48.275
tors. eta vs tors. theta energy: -79.124
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: 7
=====================================
Write number: 316
Temperature: 1.150000
Total energy: -1046.142201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1046.142201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1046.142201 (E_RNA)
where:
Base-Base interactions energy: -732.301
where: short stacking energy: -315.140
Base-Backbone interact. energy: 3.050
local terms energy: -316.890631
where:
bonds (distance) C4'-P energy: -63.929
bonds (distance) P-C4' energy: -69.617
flat angles C4'-P-C4' energy: -67.333
flat angles P-C4'-P energy: -46.672
tors. eta vs tors. theta energy: -69.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 316
Temperature: 1.200000
Total energy: -952.582252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -952.582252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -952.582252 (E_RNA)
where:
Base-Base interactions energy: -652.656
where: short stacking energy: -293.898
Base-Backbone interact. energy: -1.309
local terms energy: -298.617331
where:
bonds (distance) C4'-P energy: -63.662
bonds (distance) P-C4' energy: -65.343
flat angles C4'-P-C4' energy: -65.428
flat angles P-C4'-P energy: -27.306
tors. eta vs tors. theta energy: -76.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 316
Temperature: 1.250000
Total energy: -877.002190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -877.002190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -877.002190 (E_RNA)
where:
Base-Base interactions energy: -589.854
where: short stacking energy: -257.861
Base-Backbone interact. energy: 0.359
local terms energy: -287.507268
where:
bonds (distance) C4'-P energy: -53.546
bonds (distance) P-C4' energy: -71.499
flat angles C4'-P-C4' energy: -63.659
flat angles P-C4'-P energy: -44.526
tors. eta vs tors. theta energy: -54.277
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: 10
=====================================
Write number: 316
Temperature: 1.300000
Total energy: -667.651452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -667.651452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -667.651452 (E_RNA)
where:
Base-Base interactions energy: -400.273
where: short stacking energy: -182.804
Base-Backbone interact. energy: -3.298
local terms energy: -265.359797
where:
bonds (distance) C4'-P energy: -68.733
bonds (distance) P-C4' energy: -59.266
flat angles C4'-P-C4' energy: -69.097
flat angles P-C4'-P energy: -43.512
tors. eta vs tors. theta energy: -24.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.279 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 316
Temperature: 1.350000
Total energy: -602.182941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -602.182941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -602.182941 (E_RNA)
where:
Base-Base interactions energy: -338.698
where: short stacking energy: -162.113
Base-Backbone interact. energy: -0.381
local terms energy: -263.103800
where:
bonds (distance) C4'-P energy: -62.920
bonds (distance) P-C4' energy: -69.986
flat angles C4'-P-C4' energy: -55.643
flat angles P-C4'-P energy: -53.851
tors. eta vs tors. theta energy: -20.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 317
Temperature: 0.900000
Total energy: -1403.543661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1403.543661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1403.543661 (E_RNA)
where:
Base-Base interactions energy: -982.278
where: short stacking energy: -424.101
Base-Backbone interact. energy: -1.013
local terms energy: -420.252351
where:
bonds (distance) C4'-P energy: -72.189
bonds (distance) P-C4' energy: -82.191
flat angles C4'-P-C4' energy: -87.276
flat angles P-C4'-P energy: -57.878
tors. eta vs tors. theta energy: -120.719
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: 6
=====================================
Write number: 317
Temperature: 0.950000
Total energy: -1340.573241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1340.573241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1340.573241 (E_RNA)
where:
Base-Base interactions energy: -923.449
where: short stacking energy: -372.972
Base-Backbone interact. energy: -2.082
local terms energy: -415.042262
where:
bonds (distance) C4'-P energy: -82.554
bonds (distance) P-C4' energy: -86.103
flat angles C4'-P-C4' energy: -84.916
flat angles P-C4'-P energy: -58.029
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: 3, replica: 8
=====================================
Write number: 317
Temperature: 1.000000
Total energy: -1323.789436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1323.789436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1323.789436 (E_RNA)
where:
Base-Base interactions energy: -919.575
where: short stacking energy: -407.821
Base-Backbone interact. energy: -0.263
local terms energy: -403.951604
where:
bonds (distance) C4'-P energy: -65.254
bonds (distance) P-C4' energy: -68.575
flat angles C4'-P-C4' energy: -87.225
flat angles P-C4'-P energy: -59.335
tors. eta vs tors. theta energy: -123.562
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: 3
=====================================
Write number: 317
Temperature: 1.050000
Total energy: -1247.933941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1247.933941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1247.933941 (E_RNA)
where:
Base-Base interactions energy: -870.931
where: short stacking energy: -344.833
Base-Backbone interact. energy: 0.665
local terms energy: -377.667188
where:
bonds (distance) C4'-P energy: -72.875
bonds (distance) P-C4' energy: -80.935
flat angles C4'-P-C4' energy: -76.098
flat angles P-C4'-P energy: -57.234
tors. eta vs tors. theta energy: -90.526
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: 9
=====================================
Write number: 317
Temperature: 1.100000
Total energy: -1167.156724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1167.156724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1167.156724 (E_RNA)
where:
Base-Base interactions energy: -809.753
where: short stacking energy: -353.456
Base-Backbone interact. energy: -2.081
local terms energy: -355.322738
where:
bonds (distance) C4'-P energy: -68.092
bonds (distance) P-C4' energy: -62.543
flat angles C4'-P-C4' energy: -75.514
flat angles P-C4'-P energy: -55.167
tors. eta vs tors. theta energy: -94.008
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: 7
=====================================
Write number: 317
Temperature: 1.150000
Total energy: -1097.420012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1097.420012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1097.420012 (E_RNA)
where:
Base-Base interactions energy: -752.335
where: short stacking energy: -303.778
Base-Backbone interact. energy: -2.098
local terms energy: -343.692708
where:
bonds (distance) C4'-P energy: -67.303
bonds (distance) P-C4' energy: -71.291
flat angles C4'-P-C4' energy: -70.698
flat angles P-C4'-P energy: -47.447
tors. eta vs tors. theta energy: -86.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.706 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 317
Temperature: 1.200000
Total energy: -947.382561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -947.382561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -947.382561 (E_RNA)
where:
Base-Base interactions energy: -657.315
where: short stacking energy: -292.709
Base-Backbone interact. energy: 0.999
local terms energy: -291.066339
where:
bonds (distance) C4'-P energy: -64.530
bonds (distance) P-C4' energy: -53.317
flat angles C4'-P-C4' energy: -66.132
flat angles P-C4'-P energy: -29.961
tors. eta vs tors. theta energy: -77.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 317
Temperature: 1.250000
Total energy: -860.285512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -860.285512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -860.285512 (E_RNA)
where:
Base-Base interactions energy: -579.733
where: short stacking energy: -265.197
Base-Backbone interact. energy: -1.377
local terms energy: -279.175565
where:
bonds (distance) C4'-P energy: -57.656
bonds (distance) P-C4' energy: -60.108
flat angles C4'-P-C4' energy: -64.856
flat angles P-C4'-P energy: -44.405
tors. eta vs tors. theta energy: -52.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 317
Temperature: 1.300000
Total energy: -644.474021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -644.474021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -644.474021 (E_RNA)
where:
Base-Base interactions energy: -377.207
where: short stacking energy: -185.419
Base-Backbone interact. energy: 0.500
local terms energy: -267.767855
where:
bonds (distance) C4'-P energy: -59.714
bonds (distance) P-C4' energy: -74.068
flat angles C4'-P-C4' energy: -60.900
flat angles P-C4'-P energy: -35.380
tors. eta vs tors. theta energy: -37.706
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: 4
=====================================
Write number: 317
Temperature: 1.350000
Total energy: -555.007753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.007753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.007753 (E_RNA)
where:
Base-Base interactions energy: -320.592
where: short stacking energy: -167.666
Base-Backbone interact. energy: -2.491
local terms energy: -231.924285
where:
bonds (distance) C4'-P energy: -42.796
bonds (distance) P-C4' energy: -69.076
flat angles C4'-P-C4' energy: -63.302
flat angles P-C4'-P energy: -37.720
tors. eta vs tors. theta energy: -19.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 318
Temperature: 0.900000
Total energy: -1429.552904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1429.552904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1429.552904 (E_RNA)
where:
Base-Base interactions energy: -1004.862
where: short stacking energy: -419.408
Base-Backbone interact. energy: -0.847
local terms energy: -423.844356
where:
bonds (distance) C4'-P energy: -71.042
bonds (distance) P-C4' energy: -82.030
flat angles C4'-P-C4' energy: -91.533
flat angles P-C4'-P energy: -53.778
tors. eta vs tors. theta energy: -125.462
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: 6
=====================================
Write number: 318
Temperature: 0.950000
Total energy: -1311.716361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1311.716361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1311.716361 (E_RNA)
where:
Base-Base interactions energy: -920.794
where: short stacking energy: -380.367
Base-Backbone interact. energy: -3.860
local terms energy: -387.062783
where:
bonds (distance) C4'-P energy: -68.581
bonds (distance) P-C4' energy: -79.196
flat angles C4'-P-C4' energy: -79.340
flat angles P-C4'-P energy: -57.475
tors. eta vs tors. theta energy: -102.471
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: 8
=====================================
Write number: 318
Temperature: 1.000000
Total energy: -1265.662164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1265.662164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1265.662164 (E_RNA)
where:
Base-Base interactions energy: -883.219
where: short stacking energy: -369.614
Base-Backbone interact. energy: -4.047
local terms energy: -378.395785
where:
bonds (distance) C4'-P energy: -71.816
bonds (distance) P-C4' energy: -71.805
flat angles C4'-P-C4' energy: -80.184
flat angles P-C4'-P energy: -53.917
tors. eta vs tors. theta energy: -100.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 318
Temperature: 1.050000
Total energy: -1236.291181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1236.291181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1236.291181 (E_RNA)
where:
Base-Base interactions energy: -865.475
where: short stacking energy: -359.313
Base-Backbone interact. energy: -3.341
local terms energy: -367.474610
where:
bonds (distance) C4'-P energy: -67.786
bonds (distance) P-C4' energy: -72.837
flat angles C4'-P-C4' energy: -83.366
flat angles P-C4'-P energy: -50.486
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: 5, replica: 9
=====================================
Write number: 318
Temperature: 1.100000
Total energy: -1129.362334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1129.362334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1129.362334 (E_RNA)
where:
Base-Base interactions energy: -777.460
where: short stacking energy: -321.756
Base-Backbone interact. energy: -2.996
local terms energy: -348.906452
where:
bonds (distance) C4'-P energy: -62.024
bonds (distance) P-C4' energy: -67.290
flat angles C4'-P-C4' energy: -83.204
flat angles P-C4'-P energy: -53.312
tors. eta vs tors. theta energy: -83.078
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: 7
=====================================
Write number: 318
Temperature: 1.150000
Total energy: -1103.528327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1103.528327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1103.528327 (E_RNA)
where:
Base-Base interactions energy: -759.484
where: short stacking energy: -319.440
Base-Backbone interact. energy: -3.424
local terms energy: -340.620183
where:
bonds (distance) C4'-P energy: -68.944
bonds (distance) P-C4' energy: -66.116
flat angles C4'-P-C4' energy: -77.399
flat angles P-C4'-P energy: -43.354
tors. eta vs tors. theta energy: -84.807
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: 318
Temperature: 1.200000
Total energy: -942.937643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -942.937643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -942.937643 (E_RNA)
where:
Base-Base interactions energy: -633.580
where: short stacking energy: -272.775
Base-Backbone interact. energy: 1.601
local terms energy: -310.957791
where:
bonds (distance) C4'-P energy: -70.324
bonds (distance) P-C4' energy: -53.809
flat angles C4'-P-C4' energy: -77.108
flat angles P-C4'-P energy: -45.516
tors. eta vs tors. theta energy: -64.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 318
Temperature: 1.250000
Total energy: -881.537523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -881.537523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -881.537523 (E_RNA)
where:
Base-Base interactions energy: -588.234
where: short stacking energy: -261.067
Base-Backbone interact. energy: -0.022
local terms energy: -293.280948
where:
bonds (distance) C4'-P energy: -56.355
bonds (distance) P-C4' energy: -70.414
flat angles C4'-P-C4' energy: -63.607
flat angles P-C4'-P energy: -53.766
tors. eta vs tors. theta energy: -49.139
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: 318
Temperature: 1.300000
Total energy: -604.872182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -604.872182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -604.872182 (E_RNA)
where:
Base-Base interactions energy: -347.668
where: short stacking energy: -173.998
Base-Backbone interact. energy: 1.842
local terms energy: -259.046815
where:
bonds (distance) C4'-P energy: -62.124
bonds (distance) P-C4' energy: -68.910
flat angles C4'-P-C4' energy: -55.384
flat angles P-C4'-P energy: -46.129
tors. eta vs tors. theta energy: -26.500
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: 10
=====================================
Write number: 318
Temperature: 1.350000
Total energy: -625.738605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -625.738605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -625.738605 (E_RNA)
where:
Base-Base interactions energy: -383.683
where: short stacking energy: -194.026
Base-Backbone interact. energy: 0.656
local terms energy: -242.711209
where:
bonds (distance) C4'-P energy: -50.043
bonds (distance) P-C4' energy: -65.399
flat angles C4'-P-C4' energy: -60.645
flat angles P-C4'-P energy: -43.159
tors. eta vs tors. theta energy: -23.466
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: 5
=====================================
Write number: 319
Temperature: 0.900000
Total energy: -1391.696155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1391.696155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1391.696155 (E_RNA)
where:
Base-Base interactions energy: -974.385
where: short stacking energy: -414.318
Base-Backbone interact. energy: -0.015
local terms energy: -417.295339
where:
bonds (distance) C4'-P energy: -85.785
bonds (distance) P-C4' energy: -75.089
flat angles C4'-P-C4' energy: -91.404
flat angles P-C4'-P energy: -48.730
tors. eta vs tors. theta energy: -116.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 319
Temperature: 0.950000
Total energy: -1315.775534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1315.775534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1315.775534 (E_RNA)
where:
Base-Base interactions energy: -888.689
where: short stacking energy: -403.721
Base-Backbone interact. energy: -0.734
local terms energy: -426.351597
where:
bonds (distance) C4'-P energy: -85.601
bonds (distance) P-C4' energy: -68.732
flat angles C4'-P-C4' energy: -88.631
flat angles P-C4'-P energy: -58.539
tors. eta vs tors. theta energy: -124.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 319
Temperature: 1.000000
Total energy: -1293.657239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1293.657239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1293.657239 (E_RNA)
where:
Base-Base interactions energy: -901.150
where: short stacking energy: -350.098
Base-Backbone interact. energy: 3.067
local terms energy: -395.575062
where:
bonds (distance) C4'-P energy: -67.636
bonds (distance) P-C4' energy: -83.960
flat angles C4'-P-C4' energy: -87.955
flat angles P-C4'-P energy: -56.025
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: 319
Temperature: 1.050000
Total energy: -1247.981357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1247.981357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1247.981357 (E_RNA)
where:
Base-Base interactions energy: -870.255
where: short stacking energy: -368.794
Base-Backbone interact. energy: -1.241
local terms energy: -376.485078
where:
bonds (distance) C4'-P energy: -67.455
bonds (distance) P-C4' energy: -71.942
flat angles C4'-P-C4' energy: -72.901
flat angles P-C4'-P energy: -54.536
tors. eta vs tors. theta energy: -109.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 319
Temperature: 1.100000
Total energy: -1106.951569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1106.951569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1106.951569 (E_RNA)
where:
Base-Base interactions energy: -751.910
where: short stacking energy: -321.499
Base-Backbone interact. energy: -1.604
local terms energy: -353.437764
where:
bonds (distance) C4'-P energy: -68.251
bonds (distance) P-C4' energy: -67.310
flat angles C4'-P-C4' energy: -79.572
flat angles P-C4'-P energy: -51.025
tors. eta vs tors. theta energy: -87.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 319
Temperature: 1.150000
Total energy: -1124.548966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1124.548966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1124.548966 (E_RNA)
where:
Base-Base interactions energy: -781.169
where: short stacking energy: -328.148
Base-Backbone interact. energy: -1.175
local terms energy: -342.204890
where:
bonds (distance) C4'-P energy: -62.130
bonds (distance) P-C4' energy: -76.106
flat angles C4'-P-C4' energy: -76.048
flat angles P-C4'-P energy: -45.440
tors. eta vs tors. theta energy: -82.482
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: 2
=====================================
Write number: 319
Temperature: 1.200000
Total energy: -956.116892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -956.116892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -956.116892 (E_RNA)
where:
Base-Base interactions energy: -646.929
where: short stacking energy: -266.447
Base-Backbone interact. energy: -1.042
local terms energy: -308.146006
where:
bonds (distance) C4'-P energy: -65.967
bonds (distance) P-C4' energy: -59.196
flat angles C4'-P-C4' energy: -67.898
flat angles P-C4'-P energy: -44.972
tors. eta vs tors. theta energy: -70.112
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: 1
=====================================
Write number: 319
Temperature: 1.250000
Total energy: -837.766074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -837.766074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -837.766074 (E_RNA)
where:
Base-Base interactions energy: -548.204
where: short stacking energy: -250.810
Base-Backbone interact. energy: -0.626
local terms energy: -288.935961
where:
bonds (distance) C4'-P energy: -64.029
bonds (distance) P-C4' energy: -57.909
flat angles C4'-P-C4' energy: -68.398
flat angles P-C4'-P energy: -41.666
tors. eta vs tors. theta energy: -56.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 319
Temperature: 1.300000
Total energy: -651.079309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -651.079309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -651.079309 (E_RNA)
where:
Base-Base interactions energy: -390.144
where: short stacking energy: -169.479
Base-Backbone interact. energy: 1.400
local terms energy: -262.335304
where:
bonds (distance) C4'-P energy: -79.399
bonds (distance) P-C4' energy: -66.176
flat angles C4'-P-C4' energy: -54.952
flat angles P-C4'-P energy: -34.865
tors. eta vs tors. theta energy: -26.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 319
Temperature: 1.350000
Total energy: -576.634257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -576.634257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -576.634257 (E_RNA)
where:
Base-Base interactions energy: -368.786
where: short stacking energy: -181.665
Base-Backbone interact. energy: -0.400
local terms energy: -207.448339
where:
bonds (distance) C4'-P energy: -60.242
bonds (distance) P-C4' energy: -55.883
flat angles C4'-P-C4' energy: -46.331
flat angles P-C4'-P energy: -31.157
tors. eta vs tors. theta energy: -13.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 320
Temperature: 0.900000
Total energy: -1391.218317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1391.218317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1391.218317 (E_RNA)
where:
Base-Base interactions energy: -974.173
where: short stacking energy: -416.100
Base-Backbone interact. energy: -1.516
local terms energy: -415.529771
where:
bonds (distance) C4'-P energy: -69.569
bonds (distance) P-C4' energy: -81.249
flat angles C4'-P-C4' energy: -89.178
flat angles P-C4'-P energy: -55.089
tors. eta vs tors. theta energy: -120.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 320
Temperature: 0.950000
Total energy: -1298.231000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1298.231000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1298.231000 (E_RNA)
where:
Base-Base interactions energy: -878.039
where: short stacking energy: -373.483
Base-Backbone interact. energy: -2.473
local terms energy: -417.719456
where:
bonds (distance) C4'-P energy: -79.529
bonds (distance) P-C4' energy: -72.769
flat angles C4'-P-C4' energy: -84.512
flat angles P-C4'-P energy: -65.355
tors. eta vs tors. theta energy: -115.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 320
Temperature: 1.000000
Total energy: -1324.327541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1324.327541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1324.327541 (E_RNA)
where:
Base-Base interactions energy: -932.936
where: short stacking energy: -388.275
Base-Backbone interact. energy: -2.667
local terms energy: -388.724250
where:
bonds (distance) C4'-P energy: -65.000
bonds (distance) P-C4' energy: -78.103
flat angles C4'-P-C4' energy: -80.852
flat angles P-C4'-P energy: -65.956
tors. eta vs tors. theta energy: -98.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 320
Temperature: 1.050000
Total energy: -1256.213135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1256.213135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1256.213135 (E_RNA)
where:
Base-Base interactions energy: -878.415
where: short stacking energy: -356.884
Base-Backbone interact. energy: -3.708
local terms energy: -374.090155
where:
bonds (distance) C4'-P energy: -64.881
bonds (distance) P-C4' energy: -69.503
flat angles C4'-P-C4' energy: -93.448
flat angles P-C4'-P energy: -45.310
tors. eta vs tors. theta energy: -100.948
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: 7
=====================================
Write number: 320
Temperature: 1.100000
Total energy: -1122.370092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1122.370092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1122.370092 (E_RNA)
where:
Base-Base interactions energy: -765.928
where: short stacking energy: -320.413
Base-Backbone interact. energy: -1.698
local terms energy: -354.744253
where:
bonds (distance) C4'-P energy: -65.819
bonds (distance) P-C4' energy: -66.877
flat angles C4'-P-C4' energy: -73.611
flat angles P-C4'-P energy: -47.437
tors. eta vs tors. theta energy: -101.001
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: 9
=====================================
Write number: 320
Temperature: 1.150000
Total energy: -1112.500946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1112.500946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1112.500946 (E_RNA)
where:
Base-Base interactions energy: -770.383
where: short stacking energy: -332.227
Base-Backbone interact. energy: -1.271
local terms energy: -340.846832
where:
bonds (distance) C4'-P energy: -53.490
bonds (distance) P-C4' energy: -80.595
flat angles C4'-P-C4' energy: -66.358
flat angles P-C4'-P energy: -49.689
tors. eta vs tors. theta energy: -90.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 320
Temperature: 1.200000
Total energy: -982.768446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -982.768446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -982.768446 (E_RNA)
where:
Base-Base interactions energy: -691.327
where: short stacking energy: -301.289
Base-Backbone interact. energy: -0.928
local terms energy: -290.513478
where:
bonds (distance) C4'-P energy: -56.300
bonds (distance) P-C4' energy: -64.429
flat angles C4'-P-C4' energy: -70.042
flat angles P-C4'-P energy: -27.576
tors. eta vs tors. theta energy: -72.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 320
Temperature: 1.250000
Total energy: -871.262434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -871.262434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -871.262434 (E_RNA)
where:
Base-Base interactions energy: -567.808
where: short stacking energy: -253.951
Base-Backbone interact. energy: -1.888
local terms energy: -301.565902
where:
bonds (distance) C4'-P energy: -62.760
bonds (distance) P-C4' energy: -70.869
flat angles C4'-P-C4' energy: -58.485
flat angles P-C4'-P energy: -37.838
tors. eta vs tors. theta energy: -71.613
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: 10
=====================================
Write number: 320
Temperature: 1.300000
Total energy: -594.180859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -594.180859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -594.180859 (E_RNA)
where:
Base-Base interactions energy: -356.692
where: short stacking energy: -157.964
Base-Backbone interact. energy: 2.586
local terms energy: -241.037120
where:
bonds (distance) C4'-P energy: -53.167
bonds (distance) P-C4' energy: -66.086
flat angles C4'-P-C4' energy: -62.726
flat angles P-C4'-P energy: -48.465
tors. eta vs tors. theta energy: -10.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.962 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 320
Temperature: 1.350000
Total energy: -562.669944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -562.669944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -562.669944 (E_RNA)
where:
Base-Base interactions energy: -341.145
where: short stacking energy: -165.112
Base-Backbone interact. energy: -1.863
local terms energy: -219.661624
where:
bonds (distance) C4'-P energy: -60.315
bonds (distance) P-C4' energy: -55.949
flat angles C4'-P-C4' energy: -48.603
flat angles P-C4'-P energy: -29.714
tors. eta vs tors. theta energy: -25.080
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: 1, replica: 5
=====================================
Write number: 321
Temperature: 0.900000
Total energy: -1399.112586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1399.112586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1399.112586 (E_RNA)
where:
Base-Base interactions energy: -982.746
where: short stacking energy: -422.430
Base-Backbone interact. energy: -0.910
local terms energy: -415.455944
where:
bonds (distance) C4'-P energy: -79.786
bonds (distance) P-C4' energy: -76.432
flat angles C4'-P-C4' energy: -83.436
flat angles P-C4'-P energy: -52.456
tors. eta vs tors. theta energy: -123.345
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: 2, replica: 8
=====================================
Write number: 321
Temperature: 0.950000
Total energy: -1307.106852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1307.106852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1307.106852 (E_RNA)
where:
Base-Base interactions energy: -897.825
where: short stacking energy: -399.157
Base-Backbone interact. energy: 1.002
local terms energy: -410.283639
where:
bonds (distance) C4'-P energy: -76.461
bonds (distance) P-C4' energy: -84.173
flat angles C4'-P-C4' energy: -78.327
flat angles P-C4'-P energy: -57.246
tors. eta vs tors. theta energy: -114.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 321
Temperature: 1.000000
Total energy: -1313.705914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1313.705914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1313.705914 (E_RNA)
where:
Base-Base interactions energy: -927.721
where: short stacking energy: -374.933
Base-Backbone interact. energy: -0.444
local terms energy: -385.540886
where:
bonds (distance) C4'-P energy: -60.399
bonds (distance) P-C4' energy: -82.318
flat angles C4'-P-C4' energy: -87.685
flat angles P-C4'-P energy: -51.105
tors. eta vs tors. theta energy: -104.035
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: 3
=====================================
Write number: 321
Temperature: 1.050000
Total energy: -1247.099827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1247.099827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1247.099827 (E_RNA)
where:
Base-Base interactions energy: -875.654
where: short stacking energy: -353.824
Base-Backbone interact. energy: -2.213
local terms energy: -369.232636
where:
bonds (distance) C4'-P energy: -54.143
bonds (distance) P-C4' energy: -75.741
flat angles C4'-P-C4' energy: -83.744
flat angles P-C4'-P energy: -52.792
tors. eta vs tors. theta energy: -102.814
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: 5, replica: 7
=====================================
Write number: 321
Temperature: 1.100000
Total energy: -1186.663297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1186.663297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1186.663297 (E_RNA)
where:
Base-Base interactions energy: -810.052
where: short stacking energy: -346.792
Base-Backbone interact. energy: -1.530
local terms energy: -375.081895
where:
bonds (distance) C4'-P energy: -78.213
bonds (distance) P-C4' energy: -74.297
flat angles C4'-P-C4' energy: -70.989
flat angles P-C4'-P energy: -50.016
tors. eta vs tors. theta energy: -101.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 321
Temperature: 1.150000
Total energy: -1076.644467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1076.644467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1076.644467 (E_RNA)
where:
Base-Base interactions energy: -735.867
where: short stacking energy: -308.012
Base-Backbone interact. energy: -1.152
local terms energy: -339.625409
where:
bonds (distance) C4'-P energy: -68.926
bonds (distance) P-C4' energy: -67.174
flat angles C4'-P-C4' energy: -73.661
flat angles P-C4'-P energy: -48.346
tors. eta vs tors. theta energy: -81.518
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: 2
=====================================
Write number: 321
Temperature: 1.200000
Total energy: -985.888774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -985.888774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -985.888774 (E_RNA)
where:
Base-Base interactions energy: -666.223
where: short stacking energy: -271.031
Base-Backbone interact. energy: -1.147
local terms energy: -318.518660
where:
bonds (distance) C4'-P energy: -63.838
bonds (distance) P-C4' energy: -73.550
flat angles C4'-P-C4' energy: -67.550
flat angles P-C4'-P energy: -50.807
tors. eta vs tors. theta energy: -62.773
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: 1
=====================================
Write number: 321
Temperature: 1.250000
Total energy: -925.413743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -925.413743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -925.413743 (E_RNA)
where:
Base-Base interactions energy: -594.872
where: short stacking energy: -270.806
Base-Backbone interact. energy: -0.919
local terms energy: -329.622256
where:
bonds (distance) C4'-P energy: -68.377
bonds (distance) P-C4' energy: -73.963
flat angles C4'-P-C4' energy: -79.364
flat angles P-C4'-P energy: -39.404
tors. eta vs tors. theta energy: -68.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 321
Temperature: 1.300000
Total energy: -663.122971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -663.122971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -663.122971 (E_RNA)
where:
Base-Base interactions energy: -391.625
where: short stacking energy: -182.549
Base-Backbone interact. energy: -3.035
local terms energy: -268.463299
where:
bonds (distance) C4'-P energy: -67.982
bonds (distance) P-C4' energy: -61.938
flat angles C4'-P-C4' energy: -64.203
flat angles P-C4'-P energy: -41.279
tors. eta vs tors. theta energy: -33.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 321
Temperature: 1.350000
Total energy: -561.074300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.074300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.074300 (E_RNA)
where:
Base-Base interactions energy: -349.079
where: short stacking energy: -183.037
Base-Backbone interact. energy: 4.112
local terms energy: -216.107591
where:
bonds (distance) C4'-P energy: -45.065
bonds (distance) P-C4' energy: -56.608
flat angles C4'-P-C4' energy: -56.181
flat angles P-C4'-P energy: -27.074
tors. eta vs tors. theta energy: -31.179
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: 5
=====================================
Write number: 322
Temperature: 0.900000
Total energy: -1422.720934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1422.720934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1422.720934 (E_RNA)
where:
Base-Base interactions energy: -992.984
where: short stacking energy: -415.079
Base-Backbone interact. energy: -0.583
local terms energy: -429.153635
where:
bonds (distance) C4'-P energy: -69.304
bonds (distance) P-C4' energy: -79.804
flat angles C4'-P-C4' energy: -96.562
flat angles P-C4'-P energy: -65.041
tors. eta vs tors. theta energy: -118.442
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: 8
=====================================
Write number: 322
Temperature: 0.950000
Total energy: -1326.381607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1326.381607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1326.381607 (E_RNA)
where:
Base-Base interactions energy: -906.734
where: short stacking energy: -394.745
Base-Backbone interact. energy: -0.952
local terms energy: -418.695726
where:
bonds (distance) C4'-P energy: -80.160
bonds (distance) P-C4' energy: -74.353
flat angles C4'-P-C4' energy: -83.938
flat angles P-C4'-P energy: -57.403
tors. eta vs tors. theta energy: -122.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 322
Temperature: 1.000000
Total energy: -1296.095889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1296.095889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1296.095889 (E_RNA)
where:
Base-Base interactions energy: -921.293
where: short stacking energy: -359.525
Base-Backbone interact. energy: -1.276
local terms energy: -373.527244
where:
bonds (distance) C4'-P energy: -65.551
bonds (distance) P-C4' energy: -71.341
flat angles C4'-P-C4' energy: -82.926
flat angles P-C4'-P energy: -52.502
tors. eta vs tors. theta energy: -101.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 322
Temperature: 1.050000
Total energy: -1245.674926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1245.674926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1245.674926 (E_RNA)
where:
Base-Base interactions energy: -884.695
where: short stacking energy: -372.059
Base-Backbone interact. energy: -2.338
local terms energy: -358.642678
where:
bonds (distance) C4'-P energy: -68.400
bonds (distance) P-C4' energy: -69.723
flat angles C4'-P-C4' energy: -80.368
flat angles P-C4'-P energy: -40.675
tors. eta vs tors. theta energy: -99.476
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: 7
=====================================
Write number: 322
Temperature: 1.100000
Total energy: -1222.350437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1222.350437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1222.350437 (E_RNA)
where:
Base-Base interactions energy: -852.891
where: short stacking energy: -383.112
Base-Backbone interact. energy: -0.989
local terms energy: -368.470525
where:
bonds (distance) C4'-P energy: -60.640
bonds (distance) P-C4' energy: -76.056
flat angles C4'-P-C4' energy: -71.705
flat angles P-C4'-P energy: -54.610
tors. eta vs tors. theta energy: -105.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 322
Temperature: 1.150000
Total energy: -1085.498066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1085.498066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1085.498066 (E_RNA)
where:
Base-Base interactions energy: -758.622
where: short stacking energy: -320.397
Base-Backbone interact. energy: 1.863
local terms energy: -328.739475
where:
bonds (distance) C4'-P energy: -61.972
bonds (distance) P-C4' energy: -69.136
flat angles C4'-P-C4' energy: -76.047
flat angles P-C4'-P energy: -39.110
tors. eta vs tors. theta energy: -82.474
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: 7, replica: 2
=====================================
Write number: 322
Temperature: 1.200000
Total energy: -966.524893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -966.524893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -966.524893 (E_RNA)
where:
Base-Base interactions energy: -654.158
where: short stacking energy: -265.161
Base-Backbone interact. energy: -0.433
local terms energy: -311.934322
where:
bonds (distance) C4'-P energy: -65.531
bonds (distance) P-C4' energy: -73.850
flat angles C4'-P-C4' energy: -59.491
flat angles P-C4'-P energy: -44.428
tors. eta vs tors. theta energy: -68.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 322
Temperature: 1.250000
Total energy: -903.890871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -903.890871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -903.890871 (E_RNA)
where:
Base-Base interactions energy: -578.092
where: short stacking energy: -248.094
Base-Backbone interact. energy: 3.923
local terms energy: -329.722080
where:
bonds (distance) C4'-P energy: -70.676
bonds (distance) P-C4' energy: -74.259
flat angles C4'-P-C4' energy: -74.234
flat angles P-C4'-P energy: -43.774
tors. eta vs tors. theta energy: -66.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 322
Temperature: 1.300000
Total energy: -678.645235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -678.645235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -678.645235 (E_RNA)
where:
Base-Base interactions energy: -425.538
where: short stacking energy: -184.993
Base-Backbone interact. energy: -0.945
local terms energy: -252.161984
where:
bonds (distance) C4'-P energy: -62.499
bonds (distance) P-C4' energy: -63.015
flat angles C4'-P-C4' energy: -62.169
flat angles P-C4'-P energy: -38.094
tors. eta vs tors. theta energy: -26.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 322
Temperature: 1.350000
Total energy: -504.945668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.945668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.945668 (E_RNA)
where:
Base-Base interactions energy: -303.114
where: short stacking energy: -155.496
Base-Backbone interact. energy: 0.112
local terms energy: -201.944350
where:
bonds (distance) C4'-P energy: -52.848
bonds (distance) P-C4' energy: -57.287
flat angles C4'-P-C4' energy: -46.664
flat angles P-C4'-P energy: -35.630
tors. eta vs tors. theta energy: -9.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 323
Temperature: 0.900000
Total energy: -1400.881007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1400.881007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1400.881007 (E_RNA)
where:
Base-Base interactions energy: -986.452
where: short stacking energy: -409.217
Base-Backbone interact. energy: -3.284
local terms energy: -411.145275
where:
bonds (distance) C4'-P energy: -74.633
bonds (distance) P-C4' energy: -71.573
flat angles C4'-P-C4' energy: -85.853
flat angles P-C4'-P energy: -58.020
tors. eta vs tors. theta energy: -121.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 323
Temperature: 0.950000
Total energy: -1334.503194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1334.503194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1334.503194 (E_RNA)
where:
Base-Base interactions energy: -908.935
where: short stacking energy: -386.672
Base-Backbone interact. energy: -1.214
local terms energy: -424.354874
where:
bonds (distance) C4'-P energy: -77.533
bonds (distance) P-C4' energy: -77.248
flat angles C4'-P-C4' energy: -89.667
flat angles P-C4'-P energy: -61.324
tors. eta vs tors. theta energy: -118.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 323
Temperature: 1.000000
Total energy: -1299.847983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1299.847983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1299.847983 (E_RNA)
where:
Base-Base interactions energy: -935.699
where: short stacking energy: -378.602
Base-Backbone interact. energy: -2.346
local terms energy: -361.802302
where:
bonds (distance) C4'-P energy: -72.655
bonds (distance) P-C4' energy: -63.962
flat angles C4'-P-C4' energy: -79.088
flat angles P-C4'-P energy: -48.787
tors. eta vs tors. theta energy: -97.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 323
Temperature: 1.050000
Total energy: -1236.472717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1236.472717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1236.472717 (E_RNA)
where:
Base-Base interactions energy: -846.922
where: short stacking energy: -376.168
Base-Backbone interact. energy: -2.326
local terms energy: -387.224324
where:
bonds (distance) C4'-P energy: -65.215
bonds (distance) P-C4' energy: -73.802
flat angles C4'-P-C4' energy: -83.649
flat angles P-C4'-P energy: -56.842
tors. eta vs tors. theta energy: -107.716
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: 7
=====================================
Write number: 323
Temperature: 1.100000
Total energy: -1167.046347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1167.046347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1167.046347 (E_RNA)
where:
Base-Base interactions energy: -808.198
where: short stacking energy: -333.656
Base-Backbone interact. energy: -3.310
local terms energy: -355.537631
where:
bonds (distance) C4'-P energy: -71.883
bonds (distance) P-C4' energy: -65.384
flat angles C4'-P-C4' energy: -81.916
flat angles P-C4'-P energy: -42.971
tors. eta vs tors. theta energy: -93.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 323
Temperature: 1.150000
Total energy: -1092.669694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1092.669694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1092.669694 (E_RNA)
where:
Base-Base interactions energy: -749.902
where: short stacking energy: -310.438
Base-Backbone interact. energy: -0.991
local terms energy: -341.776170
where:
bonds (distance) C4'-P energy: -69.404
bonds (distance) P-C4' energy: -71.526
flat angles C4'-P-C4' energy: -75.692
flat angles P-C4'-P energy: -45.056
tors. eta vs tors. theta energy: -80.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 323
Temperature: 1.200000
Total energy: -969.951554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -969.951554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -969.951554 (E_RNA)
where:
Base-Base interactions energy: -645.939
where: short stacking energy: -274.066
Base-Backbone interact. energy: -2.773
local terms energy: -321.239120
where:
bonds (distance) C4'-P energy: -75.110
bonds (distance) P-C4' energy: -52.069
flat angles C4'-P-C4' energy: -77.301
flat angles P-C4'-P energy: -48.545
tors. eta vs tors. theta energy: -68.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 323
Temperature: 1.250000
Total energy: -889.922047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -889.922047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -889.922047 (E_RNA)
where:
Base-Base interactions energy: -570.957
where: short stacking energy: -239.400
Base-Backbone interact. energy: 0.308
local terms energy: -319.272994
where:
bonds (distance) C4'-P energy: -76.720
bonds (distance) P-C4' energy: -74.771
flat angles C4'-P-C4' energy: -67.342
flat angles P-C4'-P energy: -45.067
tors. eta vs tors. theta energy: -55.374
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: 10
=====================================
Write number: 323
Temperature: 1.300000
Total energy: -699.720482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -699.720482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -699.720482 (E_RNA)
where:
Base-Base interactions energy: -427.405
where: short stacking energy: -206.786
Base-Backbone interact. energy: -0.484
local terms energy: -271.832025
where:
bonds (distance) C4'-P energy: -63.889
bonds (distance) P-C4' energy: -72.964
flat angles C4'-P-C4' energy: -68.952
flat angles P-C4'-P energy: -37.953
tors. eta vs tors. theta energy: -28.074
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: 4
=====================================
Write number: 323
Temperature: 1.350000
Total energy: -574.010921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -574.010921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -574.010921 (E_RNA)
where:
Base-Base interactions energy: -343.490
where: short stacking energy: -163.455
Base-Backbone interact. energy: -1.073
local terms energy: -229.447392
where:
bonds (distance) C4'-P energy: -52.541
bonds (distance) P-C4' energy: -57.715
flat angles C4'-P-C4' energy: -48.597
flat angles P-C4'-P energy: -44.598
tors. eta vs tors. theta energy: -25.996
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: 324
Temperature: 0.900000
Total energy: -1420.614977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1420.614977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1420.614977 (E_RNA)
where:
Base-Base interactions energy: -979.715
where: short stacking energy: -415.505
Base-Backbone interact. energy: -1.294
local terms energy: -439.606095
where:
bonds (distance) C4'-P energy: -81.664
bonds (distance) P-C4' energy: -77.804
flat angles C4'-P-C4' energy: -92.046
flat angles P-C4'-P energy: -63.376
tors. eta vs tors. theta energy: -124.715
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: 2, replica: 8
=====================================
Write number: 324
Temperature: 0.950000
Total energy: -1334.661606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1334.661606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1334.661606 (E_RNA)
where:
Base-Base interactions energy: -919.846
where: short stacking energy: -403.417
Base-Backbone interact. energy: 0.754
local terms energy: -415.569290
where:
bonds (distance) C4'-P energy: -79.356
bonds (distance) P-C4' energy: -70.206
flat angles C4'-P-C4' energy: -81.428
flat angles P-C4'-P energy: -64.538
tors. eta vs tors. theta energy: -120.040
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: 3
=====================================
Write number: 324
Temperature: 1.000000
Total energy: -1258.448227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1258.448227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1258.448227 (E_RNA)
where:
Base-Base interactions energy: -870.417
where: short stacking energy: -357.263
Base-Backbone interact. energy: -2.001
local terms energy: -386.030495
where:
bonds (distance) C4'-P energy: -69.337
bonds (distance) P-C4' energy: -79.242
flat angles C4'-P-C4' energy: -84.085
flat angles P-C4'-P energy: -50.152
tors. eta vs tors. theta energy: -103.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 324
Temperature: 1.050000
Total energy: -1272.141237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1272.141237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1272.141237 (E_RNA)
where:
Base-Base interactions energy: -901.784
where: short stacking energy: -354.495
Base-Backbone interact. energy: -1.118
local terms energy: -369.239692
where:
bonds (distance) C4'-P energy: -64.958
bonds (distance) P-C4' energy: -66.605
flat angles C4'-P-C4' energy: -79.783
flat angles P-C4'-P energy: -64.360
tors. eta vs tors. theta energy: -93.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 324
Temperature: 1.100000
Total energy: -1118.051419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1118.051419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1118.051419 (E_RNA)
where:
Base-Base interactions energy: -754.814
where: short stacking energy: -309.657
Base-Backbone interact. energy: -0.987
local terms energy: -362.250135
where:
bonds (distance) C4'-P energy: -69.715
bonds (distance) P-C4' energy: -69.010
flat angles C4'-P-C4' energy: -83.039
flat angles P-C4'-P energy: -57.219
tors. eta vs tors. theta energy: -83.267
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: 7
=====================================
Write number: 324
Temperature: 1.150000
Total energy: -1144.448322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1144.448322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1144.448322 (E_RNA)
where:
Base-Base interactions energy: -797.315
where: short stacking energy: -323.116
Base-Backbone interact. energy: -1.836
local terms energy: -345.296750
where:
bonds (distance) C4'-P energy: -64.544
bonds (distance) P-C4' energy: -71.717
flat angles C4'-P-C4' energy: -75.613
flat angles P-C4'-P energy: -46.781
tors. eta vs tors. theta energy: -86.641
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: 324
Temperature: 1.200000
Total energy: -934.482310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -934.482310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -934.482310 (E_RNA)
where:
Base-Base interactions energy: -620.905
where: short stacking energy: -276.206
Base-Backbone interact. energy: -0.256
local terms energy: -313.320815
where:
bonds (distance) C4'-P energy: -68.760
bonds (distance) P-C4' energy: -65.272
flat angles C4'-P-C4' energy: -65.983
flat angles P-C4'-P energy: -47.594
tors. eta vs tors. theta energy: -65.711
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: 1
=====================================
Write number: 324
Temperature: 1.250000
Total energy: -894.910844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -894.910844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -894.910844 (E_RNA)
where:
Base-Base interactions energy: -595.286
where: short stacking energy: -248.131
Base-Backbone interact. energy: -1.373
local terms energy: -298.252117
where:
bonds (distance) C4'-P energy: -68.258
bonds (distance) P-C4' energy: -54.879
flat angles C4'-P-C4' energy: -65.696
flat angles P-C4'-P energy: -45.316
tors. eta vs tors. theta energy: -64.103
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: 10
=====================================
Write number: 324
Temperature: 1.300000
Total energy: -631.141714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -631.141714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -631.141714 (E_RNA)
where:
Base-Base interactions energy: -381.842
where: short stacking energy: -172.995
Base-Backbone interact. energy: -0.333
local terms energy: -248.966849
where:
bonds (distance) C4'-P energy: -56.292
bonds (distance) P-C4' energy: -63.528
flat angles C4'-P-C4' energy: -69.613
flat angles P-C4'-P energy: -43.546
tors. eta vs tors. theta energy: -15.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 324
Temperature: 1.350000
Total energy: -610.269717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -610.269717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -610.269717 (E_RNA)
where:
Base-Base interactions energy: -351.830
where: short stacking energy: -162.753
Base-Backbone interact. energy: -1.246
local terms energy: -257.462736
where:
bonds (distance) C4'-P energy: -71.473
bonds (distance) P-C4' energy: -66.588
flat angles C4'-P-C4' energy: -60.513
flat angles P-C4'-P energy: -34.444
tors. eta vs tors. theta energy: -24.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.269 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 325
Temperature: 0.900000
Total energy: -1401.830379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1401.830379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1401.830379 (E_RNA)
where:
Base-Base interactions energy: -991.622
where: short stacking energy: -414.884
Base-Backbone interact. energy: -0.060
local terms energy: -410.148548
where:
bonds (distance) C4'-P energy: -61.408
bonds (distance) P-C4' energy: -79.559
flat angles C4'-P-C4' energy: -88.490
flat angles P-C4'-P energy: -60.221
tors. eta vs tors. theta energy: -120.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 325
Temperature: 0.950000
Total energy: -1322.675499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1322.675499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1322.675499 (E_RNA)
where:
Base-Base interactions energy: -899.551
where: short stacking energy: -382.800
Base-Backbone interact. energy: -1.157
local terms energy: -422.294417
where:
bonds (distance) C4'-P energy: -71.148
bonds (distance) P-C4' energy: -82.277
flat angles C4'-P-C4' energy: -80.710
flat angles P-C4'-P energy: -69.895
tors. eta vs tors. theta energy: -118.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.327 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 325
Temperature: 1.000000
Total energy: -1294.765830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1294.765830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1294.765830 (E_RNA)
where:
Base-Base interactions energy: -896.819
where: short stacking energy: -377.384
Base-Backbone interact. energy: -1.484
local terms energy: -396.462711
where:
bonds (distance) C4'-P energy: -68.272
bonds (distance) P-C4' energy: -71.998
flat angles C4'-P-C4' energy: -90.280
flat angles P-C4'-P energy: -58.322
tors. eta vs tors. theta energy: -107.591
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: 6
=====================================
Write number: 325
Temperature: 1.050000
Total energy: -1248.526770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1248.526770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1248.526770 (E_RNA)
where:
Base-Base interactions energy: -888.354
where: short stacking energy: -365.429
Base-Backbone interact. energy: 2.847
local terms energy: -363.019885
where:
bonds (distance) C4'-P energy: -66.591
bonds (distance) P-C4' energy: -77.538
flat angles C4'-P-C4' energy: -73.800
flat angles P-C4'-P energy: -54.795
tors. eta vs tors. theta energy: -90.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 325
Temperature: 1.100000
Total energy: -1125.898979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1125.898979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1125.898979 (E_RNA)
where:
Base-Base interactions energy: -772.879
where: short stacking energy: -309.858
Base-Backbone interact. energy: 1.432
local terms energy: -354.452167
where:
bonds (distance) C4'-P energy: -72.304
bonds (distance) P-C4' energy: -65.291
flat angles C4'-P-C4' energy: -77.458
flat angles P-C4'-P energy: -43.537
tors. eta vs tors. theta energy: -95.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 325
Temperature: 1.150000
Total energy: -1165.759727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1165.759727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1165.759727 (E_RNA)
where:
Base-Base interactions energy: -790.207
where: short stacking energy: -350.374
Base-Backbone interact. energy: -0.665
local terms energy: -374.887286
where:
bonds (distance) C4'-P energy: -66.284
bonds (distance) P-C4' energy: -78.864
flat angles C4'-P-C4' energy: -85.640
flat angles P-C4'-P energy: -45.126
tors. eta vs tors. theta energy: -98.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 325
Temperature: 1.200000
Total energy: -915.110811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -915.110811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -915.110811 (E_RNA)
where:
Base-Base interactions energy: -605.695
where: short stacking energy: -273.303
Base-Backbone interact. energy: -0.543
local terms energy: -308.872758
where:
bonds (distance) C4'-P energy: -65.668
bonds (distance) P-C4' energy: -56.833
flat angles C4'-P-C4' energy: -77.100
flat angles P-C4'-P energy: -45.580
tors. eta vs tors. theta energy: -63.693
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: 325
Temperature: 1.250000
Total energy: -888.854533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -888.854533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -888.854533 (E_RNA)
where:
Base-Base interactions energy: -582.296
where: short stacking energy: -272.345
Base-Backbone interact. energy: 1.470
local terms energy: -308.028819
where:
bonds (distance) C4'-P energy: -74.844
bonds (distance) P-C4' energy: -54.278
flat angles C4'-P-C4' energy: -70.169
flat angles P-C4'-P energy: -44.836
tors. eta vs tors. theta energy: -63.902
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: 10
=====================================
Write number: 325
Temperature: 1.300000
Total energy: -638.008466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -638.008466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -638.008466 (E_RNA)
where:
Base-Base interactions energy: -394.261
where: short stacking energy: -199.591
Base-Backbone interact. energy: -0.896
local terms energy: -242.851819
where:
bonds (distance) C4'-P energy: -58.656
bonds (distance) P-C4' energy: -55.891
flat angles C4'-P-C4' energy: -60.236
flat angles P-C4'-P energy: -38.175
tors. eta vs tors. theta energy: -29.893
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: 4
=====================================
Write number: 325
Temperature: 1.350000
Total energy: -577.753417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -577.753417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -577.753417 (E_RNA)
where:
Base-Base interactions energy: -327.321
where: short stacking energy: -150.430
Base-Backbone interact. energy: 0.530
local terms energy: -250.962323
where:
bonds (distance) C4'-P energy: -61.273
bonds (distance) P-C4' energy: -67.601
flat angles C4'-P-C4' energy: -54.813
flat angles P-C4'-P energy: -49.819
tors. eta vs tors. theta energy: -17.456
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: 1, replica: 5
=====================================
Write number: 326
Temperature: 0.900000
Total energy: -1383.536363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1383.536363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1383.536363 (E_RNA)
where:
Base-Base interactions energy: -962.080
where: short stacking energy: -401.060
Base-Backbone interact. energy: -1.689
local terms energy: -419.767662
where:
bonds (distance) C4'-P energy: -76.253
bonds (distance) P-C4' energy: -78.735
flat angles C4'-P-C4' energy: -80.399
flat angles P-C4'-P energy: -62.636
tors. eta vs tors. theta energy: -121.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 326
Temperature: 0.950000
Total energy: -1320.104465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1320.104465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1320.104465 (E_RNA)
where:
Base-Base interactions energy: -890.624
where: short stacking energy: -390.426
Base-Backbone interact. energy: -2.215
local terms energy: -427.265904
where:
bonds (distance) C4'-P energy: -78.545
bonds (distance) P-C4' energy: -75.714
flat angles C4'-P-C4' energy: -85.137
flat angles P-C4'-P energy: -65.529
tors. eta vs tors. theta energy: -122.341
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: 3, replica: 3
=====================================
Write number: 326
Temperature: 1.000000
Total energy: -1308.881490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1308.881490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1308.881490 (E_RNA)
where:
Base-Base interactions energy: -937.341
where: short stacking energy: -382.014
Base-Backbone interact. energy: -2.600
local terms energy: -368.941126
where:
bonds (distance) C4'-P energy: -60.691
bonds (distance) P-C4' energy: -70.796
flat angles C4'-P-C4' energy: -73.054
flat angles P-C4'-P energy: -56.950
tors. eta vs tors. theta energy: -107.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 326
Temperature: 1.050000
Total energy: -1257.150790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1257.150790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1257.150790 (E_RNA)
where:
Base-Base interactions energy: -887.949
where: short stacking energy: -342.714
Base-Backbone interact. energy: -0.841
local terms energy: -368.361068
where:
bonds (distance) C4'-P energy: -73.959
bonds (distance) P-C4' energy: -76.635
flat angles C4'-P-C4' energy: -71.298
flat angles P-C4'-P energy: -55.932
tors. eta vs tors. theta energy: -90.537
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: 5, replica: 7
=====================================
Write number: 326
Temperature: 1.100000
Total energy: -1216.813742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1216.813742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1216.813742 (E_RNA)
where:
Base-Base interactions energy: -833.964
where: short stacking energy: -370.891
Base-Backbone interact. energy: -2.074
local terms energy: -380.775440
where:
bonds (distance) C4'-P energy: -64.212
bonds (distance) P-C4' energy: -81.743
flat angles C4'-P-C4' energy: -87.992
flat angles P-C4'-P energy: -41.177
tors. eta vs tors. theta energy: -105.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 326
Temperature: 1.150000
Total energy: -1068.997769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1068.997769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1068.997769 (E_RNA)
where:
Base-Base interactions energy: -712.513
where: short stacking energy: -286.145
Base-Backbone interact. energy: 2.449
local terms energy: -358.933901
where:
bonds (distance) C4'-P energy: -79.200
bonds (distance) P-C4' energy: -73.505
flat angles C4'-P-C4' energy: -80.258
flat angles P-C4'-P energy: -44.579
tors. eta vs tors. theta energy: -81.393
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: 7, replica: 2
=====================================
Write number: 326
Temperature: 1.200000
Total energy: -917.435702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -917.435702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -917.435702 (E_RNA)
where:
Base-Base interactions energy: -617.097
where: short stacking energy: -248.442
Base-Backbone interact. energy: -1.357
local terms energy: -298.981628
where:
bonds (distance) C4'-P energy: -68.556
bonds (distance) P-C4' energy: -57.225
flat angles C4'-P-C4' energy: -75.340
flat angles P-C4'-P energy: -35.638
tors. eta vs tors. theta energy: -62.223
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: 326
Temperature: 1.250000
Total energy: -883.019629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -883.019629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -883.019629 (E_RNA)
where:
Base-Base interactions energy: -570.113
where: short stacking energy: -236.201
Base-Backbone interact. energy: -1.721
local terms energy: -311.185818
where:
bonds (distance) C4'-P energy: -60.759
bonds (distance) P-C4' energy: -76.441
flat angles C4'-P-C4' energy: -79.303
flat angles P-C4'-P energy: -35.240
tors. eta vs tors. theta energy: -59.443
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: 10
=====================================
Write number: 326
Temperature: 1.300000
Total energy: -677.266270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -677.266270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -677.266270 (E_RNA)
where:
Base-Base interactions energy: -436.143
where: short stacking energy: -188.214
Base-Backbone interact. energy: -1.858
local terms energy: -240.062049
where:
bonds (distance) C4'-P energy: -57.329
bonds (distance) P-C4' energy: -60.053
flat angles C4'-P-C4' energy: -53.896
flat angles P-C4'-P energy: -31.796
tors. eta vs tors. theta energy: -36.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.797 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 326
Temperature: 1.350000
Total energy: -589.031891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -589.031891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -589.031891 (E_RNA)
where:
Base-Base interactions energy: -348.018
where: short stacking energy: -160.510
Base-Backbone interact. energy: -1.075
local terms energy: -239.938878
where:
bonds (distance) C4'-P energy: -58.434
bonds (distance) P-C4' energy: -66.607
flat angles C4'-P-C4' energy: -49.838
flat angles P-C4'-P energy: -37.963
tors. eta vs tors. theta energy: -27.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 327
Temperature: 0.900000
Total energy: -1395.796220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1395.796220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1395.796220 (E_RNA)
where:
Base-Base interactions energy: -976.446
where: short stacking energy: -406.936
Base-Backbone interact. energy: -1.569
local terms energy: -417.780766
where:
bonds (distance) C4'-P energy: -75.320
bonds (distance) P-C4' energy: -81.736
flat angles C4'-P-C4' energy: -80.088
flat angles P-C4'-P energy: -62.709
tors. eta vs tors. theta energy: -117.928
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: 8
=====================================
Write number: 327
Temperature: 0.950000
Total energy: -1322.763848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1322.763848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1322.763848 (E_RNA)
where:
Base-Base interactions energy: -917.368
where: short stacking energy: -385.912
Base-Backbone interact. energy: -0.624
local terms energy: -404.771634
where:
bonds (distance) C4'-P energy: -74.946
bonds (distance) P-C4' energy: -69.738
flat angles C4'-P-C4' energy: -84.710
flat angles P-C4'-P energy: -57.679
tors. eta vs tors. theta energy: -117.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 327
Temperature: 1.000000
Total energy: -1295.595624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1295.595624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1295.595624 (E_RNA)
where:
Base-Base interactions energy: -915.954
where: short stacking energy: -370.312
Base-Backbone interact. energy: 2.792
local terms energy: -382.433483
where:
bonds (distance) C4'-P energy: -76.146
bonds (distance) P-C4' energy: -69.751
flat angles C4'-P-C4' energy: -79.164
flat angles P-C4'-P energy: -61.232
tors. eta vs tors. theta energy: -96.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 327
Temperature: 1.050000
Total energy: -1208.854771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1208.854771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1208.854771 (E_RNA)
where:
Base-Base interactions energy: -847.139
where: short stacking energy: -326.401
Base-Backbone interact. energy: -0.165
local terms energy: -361.550100
where:
bonds (distance) C4'-P energy: -72.620
bonds (distance) P-C4' energy: -65.362
flat angles C4'-P-C4' energy: -84.882
flat angles P-C4'-P energy: -53.811
tors. eta vs tors. theta energy: -84.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 327
Temperature: 1.100000
Total energy: -1200.478735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1200.478735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1200.478735 (E_RNA)
where:
Base-Base interactions energy: -854.934
where: short stacking energy: -353.797
Base-Backbone interact. energy: 0.004
local terms energy: -345.549162
where:
bonds (distance) C4'-P energy: -50.383
bonds (distance) P-C4' energy: -64.571
flat angles C4'-P-C4' energy: -74.292
flat angles P-C4'-P energy: -60.958
tors. eta vs tors. theta energy: -95.345
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: 9
=====================================
Write number: 327
Temperature: 1.150000
Total energy: -1045.772760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1045.772760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1045.772760 (E_RNA)
where:
Base-Base interactions energy: -702.559
where: short stacking energy: -278.235
Base-Backbone interact. energy: 1.933
local terms energy: -345.146934
where:
bonds (distance) C4'-P energy: -74.786
bonds (distance) P-C4' energy: -79.269
flat angles C4'-P-C4' energy: -76.466
flat angles P-C4'-P energy: -38.800
tors. eta vs tors. theta energy: -75.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 327
Temperature: 1.200000
Total energy: -928.261434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -928.261434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -928.261434 (E_RNA)
where:
Base-Base interactions energy: -624.029
where: short stacking energy: -271.614
Base-Backbone interact. energy: -1.362
local terms energy: -302.870661
where:
bonds (distance) C4'-P energy: -55.770
bonds (distance) P-C4' energy: -57.813
flat angles C4'-P-C4' energy: -63.036
flat angles P-C4'-P energy: -56.098
tors. eta vs tors. theta energy: -70.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 327
Temperature: 1.250000
Total energy: -860.877564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -860.877564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -860.877564 (E_RNA)
where:
Base-Base interactions energy: -579.459
where: short stacking energy: -248.535
Base-Backbone interact. energy: -1.475
local terms energy: -279.943830
where:
bonds (distance) C4'-P energy: -55.258
bonds (distance) P-C4' energy: -69.269
flat angles C4'-P-C4' energy: -65.665
flat angles P-C4'-P energy: -28.193
tors. eta vs tors. theta energy: -61.558
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: 10
=====================================
Write number: 327
Temperature: 1.300000
Total energy: -669.032305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -669.032305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -669.032305 (E_RNA)
where:
Base-Base interactions energy: -412.415
where: short stacking energy: -176.379
Base-Backbone interact. energy: -0.658
local terms energy: -255.959074
where:
bonds (distance) C4'-P energy: -56.074
bonds (distance) P-C4' energy: -69.969
flat angles C4'-P-C4' energy: -61.596
flat angles P-C4'-P energy: -50.944
tors. eta vs tors. theta energy: -17.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 327
Temperature: 1.350000
Total energy: -513.725886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.725886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.725886 (E_RNA)
where:
Base-Base interactions energy: -286.935
where: short stacking energy: -143.708
Base-Backbone interact. energy: -1.472
local terms energy: -225.319020
where:
bonds (distance) C4'-P energy: -55.701
bonds (distance) P-C4' energy: -73.712
flat angles C4'-P-C4' energy: -66.051
flat angles P-C4'-P energy: -18.352
tors. eta vs tors. theta energy: -11.504
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: 5
=====================================
Write number: 328
Temperature: 0.900000
Total energy: -1401.306519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1401.306519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1401.306519 (E_RNA)
where:
Base-Base interactions energy: -988.546
where: short stacking energy: -423.068
Base-Backbone interact. energy: 0.762
local terms energy: -413.523341
where:
bonds (distance) C4'-P energy: -74.025
bonds (distance) P-C4' energy: -71.013
flat angles C4'-P-C4' energy: -89.202
flat angles P-C4'-P energy: -57.267
tors. eta vs tors. theta energy: -122.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 328
Temperature: 0.950000
Total energy: -1335.994521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1335.994521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1335.994521 (E_RNA)
where:
Base-Base interactions energy: -942.650
where: short stacking energy: -412.301
Base-Backbone interact. energy: -0.169
local terms energy: -393.176053
where:
bonds (distance) C4'-P energy: -79.067
bonds (distance) P-C4' energy: -61.388
flat angles C4'-P-C4' energy: -83.595
flat angles P-C4'-P energy: -45.428
tors. eta vs tors. theta energy: -123.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 328
Temperature: 1.000000
Total energy: -1289.951749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1289.951749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1289.951749 (E_RNA)
where:
Base-Base interactions energy: -901.970
where: short stacking energy: -381.423
Base-Backbone interact. energy: -1.923
local terms energy: -386.059195
where:
bonds (distance) C4'-P energy: -64.503
bonds (distance) P-C4' energy: -74.892
flat angles C4'-P-C4' energy: -80.968
flat angles P-C4'-P energy: -55.055
tors. eta vs tors. theta energy: -110.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 328
Temperature: 1.050000
Total energy: -1224.415868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1224.415868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1224.415868 (E_RNA)
where:
Base-Base interactions energy: -844.700
where: short stacking energy: -339.076
Base-Backbone interact. energy: -0.840
local terms energy: -378.876202
where:
bonds (distance) C4'-P energy: -83.407
bonds (distance) P-C4' energy: -73.576
flat angles C4'-P-C4' energy: -87.423
flat angles P-C4'-P energy: -43.462
tors. eta vs tors. theta energy: -91.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 328
Temperature: 1.100000
Total energy: -1214.900376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1214.900376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1214.900376 (E_RNA)
where:
Base-Base interactions energy: -833.137
where: short stacking energy: -363.133
Base-Backbone interact. energy: -0.236
local terms energy: -381.527106
where:
bonds (distance) C4'-P energy: -63.669
bonds (distance) P-C4' energy: -72.114
flat angles C4'-P-C4' energy: -84.497
flat angles P-C4'-P energy: -61.489
tors. eta vs tors. theta energy: -99.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 328
Temperature: 1.150000
Total energy: -1063.602644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1063.602644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1063.602644 (E_RNA)
where:
Base-Base interactions energy: -756.398
where: short stacking energy: -307.882
Base-Backbone interact. energy: 0.056
local terms energy: -307.260923
where:
bonds (distance) C4'-P energy: -54.558
bonds (distance) P-C4' energy: -64.459
flat angles C4'-P-C4' energy: -66.374
flat angles P-C4'-P energy: -41.177
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: 7, replica: 2
=====================================
Write number: 328
Temperature: 1.200000
Total energy: -928.186376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -928.186376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -928.186376 (E_RNA)
where:
Base-Base interactions energy: -618.559
where: short stacking energy: -262.915
Base-Backbone interact. energy: 0.460
local terms energy: -310.087273
where:
bonds (distance) C4'-P energy: -56.595
bonds (distance) P-C4' energy: -61.205
flat angles C4'-P-C4' energy: -76.187
flat angles P-C4'-P energy: -45.754
tors. eta vs tors. theta energy: -70.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 328
Temperature: 1.250000
Total energy: -870.106107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -870.106107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -870.106107 (E_RNA)
where:
Base-Base interactions energy: -581.818
where: short stacking energy: -251.676
Base-Backbone interact. energy: -2.166
local terms energy: -286.121608
where:
bonds (distance) C4'-P energy: -69.478
bonds (distance) P-C4' energy: -74.928
flat angles C4'-P-C4' energy: -50.922
flat angles P-C4'-P energy: -35.883
tors. eta vs tors. theta energy: -54.911
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: 10
=====================================
Write number: 328
Temperature: 1.300000
Total energy: -700.263255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -700.263255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -700.263255 (E_RNA)
where:
Base-Base interactions energy: -427.162
where: short stacking energy: -193.511
Base-Backbone interact. energy: 3.813
local terms energy: -279.402675
where:
bonds (distance) C4'-P energy: -68.548
bonds (distance) P-C4' energy: -67.805
flat angles C4'-P-C4' energy: -52.588
flat angles P-C4'-P energy: -48.856
tors. eta vs tors. theta energy: -41.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 2.488 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 328
Temperature: 1.350000
Total energy: -495.734883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.734883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.734883 (E_RNA)
where:
Base-Base interactions energy: -265.783
where: short stacking energy: -142.804
Base-Backbone interact. energy: -1.438
local terms energy: -228.513775
where:
bonds (distance) C4'-P energy: -52.130
bonds (distance) P-C4' energy: -58.908
flat angles C4'-P-C4' energy: -53.002
flat angles P-C4'-P energy: -41.156
tors. eta vs tors. theta energy: -23.318
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: 1, replica: 5
=====================================
Write number: 329
Temperature: 0.900000
Total energy: -1401.997344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1401.997344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1401.997344 (E_RNA)
where:
Base-Base interactions energy: -964.678
where: short stacking energy: -423.433
Base-Backbone interact. energy: -3.465
local terms energy: -433.854595
where:
bonds (distance) C4'-P energy: -84.438
bonds (distance) P-C4' energy: -77.967
flat angles C4'-P-C4' energy: -84.526
flat angles P-C4'-P energy: -60.973
tors. eta vs tors. theta energy: -125.951
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: 8
=====================================
Write number: 329
Temperature: 0.950000
Total energy: -1354.844178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1354.844178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1354.844178 (E_RNA)
where:
Base-Base interactions energy: -919.718
where: short stacking energy: -397.630
Base-Backbone interact. energy: -2.139
local terms energy: -432.987720
where:
bonds (distance) C4'-P energy: -77.853
bonds (distance) P-C4' energy: -79.808
flat angles C4'-P-C4' energy: -85.781
flat angles P-C4'-P energy: -65.626
tors. eta vs tors. theta energy: -123.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 329
Temperature: 1.000000
Total energy: -1285.373401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1285.373401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1285.373401 (E_RNA)
where:
Base-Base interactions energy: -886.663
where: short stacking energy: -378.573
Base-Backbone interact. energy: -1.017
local terms energy: -397.693345
where:
bonds (distance) C4'-P energy: -73.830
bonds (distance) P-C4' energy: -77.922
flat angles C4'-P-C4' energy: -82.189
flat angles P-C4'-P energy: -58.438
tors. eta vs tors. theta energy: -105.315
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: 4, replica: 7
=====================================
Write number: 329
Temperature: 1.050000
Total energy: -1224.337609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1224.337609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1224.337609 (E_RNA)
where:
Base-Base interactions energy: -857.365
where: short stacking energy: -352.143
Base-Backbone interact. energy: 0.542
local terms energy: -367.514336
where:
bonds (distance) C4'-P energy: -69.881
bonds (distance) P-C4' energy: -66.457
flat angles C4'-P-C4' energy: -80.073
flat angles P-C4'-P energy: -51.177
tors. eta vs tors. theta energy: -99.926
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: 6
=====================================
Write number: 329
Temperature: 1.100000
Total energy: -1246.305821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1246.305821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1246.305821 (E_RNA)
where:
Base-Base interactions energy: -878.679
where: short stacking energy: -353.078
Base-Backbone interact. energy: -2.281
local terms energy: -365.346000
where:
bonds (distance) C4'-P energy: -63.366
bonds (distance) P-C4' energy: -75.142
flat angles C4'-P-C4' energy: -79.186
flat angles P-C4'-P energy: -56.398
tors. eta vs tors. theta energy: -91.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 329
Temperature: 1.150000
Total energy: -1074.018280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1074.018280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1074.018280 (E_RNA)
where:
Base-Base interactions energy: -741.959
where: short stacking energy: -319.250
Base-Backbone interact. energy: -0.842
local terms energy: -331.216997
where:
bonds (distance) C4'-P energy: -53.461
bonds (distance) P-C4' energy: -66.528
flat angles C4'-P-C4' energy: -76.444
flat angles P-C4'-P energy: -49.409
tors. eta vs tors. theta energy: -85.375
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: 7, replica: 2
=====================================
Write number: 329
Temperature: 1.200000
Total energy: -913.492384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -913.492384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -913.492384 (E_RNA)
where:
Base-Base interactions energy: -585.776
where: short stacking energy: -261.838
Base-Backbone interact. energy: 0.155
local terms energy: -327.871301
where:
bonds (distance) C4'-P energy: -66.476
bonds (distance) P-C4' energy: -77.309
flat angles C4'-P-C4' energy: -67.388
flat angles P-C4'-P energy: -46.301
tors. eta vs tors. theta energy: -70.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 329
Temperature: 1.250000
Total energy: -851.953867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -851.953867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -851.953867 (E_RNA)
where:
Base-Base interactions energy: -573.589
where: short stacking energy: -230.860
Base-Backbone interact. energy: 0.595
local terms energy: -278.960194
where:
bonds (distance) C4'-P energy: -65.290
bonds (distance) P-C4' energy: -73.410
flat angles C4'-P-C4' energy: -59.996
flat angles P-C4'-P energy: -35.121
tors. eta vs tors. theta energy: -45.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 329
Temperature: 1.300000
Total energy: -707.824859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -707.824859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -707.824859 (E_RNA)
where:
Base-Base interactions energy: -436.083
where: short stacking energy: -192.075
Base-Backbone interact. energy: -2.476
local terms energy: -270.570438
where:
bonds (distance) C4'-P energy: -71.031
bonds (distance) P-C4' energy: -65.480
flat angles C4'-P-C4' energy: -70.191
flat angles P-C4'-P energy: -30.587
tors. eta vs tors. theta energy: -33.281
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: 4
=====================================
Write number: 329
Temperature: 1.350000
Total energy: -495.091699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.091699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.091699 (E_RNA)
where:
Base-Base interactions energy: -287.347
where: short stacking energy: -144.366
Base-Backbone interact. energy: -0.597
local terms energy: -207.147110
where:
bonds (distance) C4'-P energy: -55.200
bonds (distance) P-C4' energy: -66.519
flat angles C4'-P-C4' energy: -46.636
flat angles P-C4'-P energy: -34.576
tors. eta vs tors. theta energy: -4.216
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: 5
=====================================
Write number: 330
Temperature: 0.900000
Total energy: -1396.857895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1396.857895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1396.857895 (E_RNA)
where:
Base-Base interactions energy: -966.523
where: short stacking energy: -407.567
Base-Backbone interact. energy: -0.818
local terms energy: -429.517178
where:
bonds (distance) C4'-P energy: -77.605
bonds (distance) P-C4' energy: -80.511
flat angles C4'-P-C4' energy: -95.950
flat angles P-C4'-P energy: -56.825
tors. eta vs tors. theta energy: -118.626
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: 8
=====================================
Write number: 330
Temperature: 0.950000
Total energy: -1346.414248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1346.414248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1346.414248 (E_RNA)
where:
Base-Base interactions energy: -933.594
where: short stacking energy: -383.222
Base-Backbone interact. energy: -1.722
local terms energy: -411.097842
where:
bonds (distance) C4'-P energy: -71.777
bonds (distance) P-C4' energy: -77.250
flat angles C4'-P-C4' energy: -86.608
flat angles P-C4'-P energy: -62.705
tors. eta vs tors. theta energy: -112.757
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: 3
=====================================
Write number: 330
Temperature: 1.000000
Total energy: -1269.375828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1269.375828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1269.375828 (E_RNA)
where:
Base-Base interactions energy: -885.002
where: short stacking energy: -372.627
Base-Backbone interact. energy: 0.373
local terms energy: -385.628570
where:
bonds (distance) C4'-P energy: -66.872
bonds (distance) P-C4' energy: -76.440
flat angles C4'-P-C4' energy: -88.744
flat angles P-C4'-P energy: -52.215
tors. eta vs tors. theta energy: -101.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.882 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 330
Temperature: 1.050000
Total energy: -1241.238109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1241.238109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1241.238109 (E_RNA)
where:
Base-Base interactions energy: -865.704
where: short stacking energy: -366.562
Base-Backbone interact. energy: -2.327
local terms energy: -373.206836
where:
bonds (distance) C4'-P energy: -64.356
bonds (distance) P-C4' energy: -70.711
flat angles C4'-P-C4' energy: -81.677
flat angles P-C4'-P energy: -53.949
tors. eta vs tors. theta energy: -102.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 330
Temperature: 1.100000
Total energy: -1242.218753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1242.218753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1242.218753 (E_RNA)
where:
Base-Base interactions energy: -881.359
where: short stacking energy: -350.241
Base-Backbone interact. energy: -1.248
local terms energy: -359.611588
where:
bonds (distance) C4'-P energy: -66.587
bonds (distance) P-C4' energy: -79.376
flat angles C4'-P-C4' energy: -74.787
flat angles P-C4'-P energy: -49.370
tors. eta vs tors. theta energy: -89.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 330
Temperature: 1.150000
Total energy: -1055.950945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1055.950945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1055.950945 (E_RNA)
where:
Base-Base interactions energy: -729.940
where: short stacking energy: -324.581
Base-Backbone interact. energy: -1.598
local terms energy: -324.413559
where:
bonds (distance) C4'-P energy: -61.464
bonds (distance) P-C4' energy: -59.378
flat angles C4'-P-C4' energy: -70.854
flat angles P-C4'-P energy: -48.709
tors. eta vs tors. theta energy: -84.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 330
Temperature: 1.200000
Total energy: -898.504972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -898.504972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -898.504972 (E_RNA)
where:
Base-Base interactions energy: -597.488
where: short stacking energy: -273.633
Base-Backbone interact. energy: -0.575
local terms energy: -300.441596
where:
bonds (distance) C4'-P energy: -64.233
bonds (distance) P-C4' energy: -64.740
flat angles C4'-P-C4' energy: -61.767
flat angles P-C4'-P energy: -42.045
tors. eta vs tors. theta energy: -67.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 330
Temperature: 1.250000
Total energy: -871.212075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -871.212075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -871.212075 (E_RNA)
where:
Base-Base interactions energy: -597.804
where: short stacking energy: -257.066
Base-Backbone interact. energy: -1.280
local terms energy: -272.128477
where:
bonds (distance) C4'-P energy: -55.968
bonds (distance) P-C4' energy: -66.299
flat angles C4'-P-C4' energy: -64.887
flat angles P-C4'-P energy: -22.115
tors. eta vs tors. theta energy: -62.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 330
Temperature: 1.300000
Total energy: -702.324494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -702.324494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -702.324494 (E_RNA)
where:
Base-Base interactions energy: -445.086
where: short stacking energy: -196.084
Base-Backbone interact. energy: 0.995
local terms energy: -258.232995
where:
bonds (distance) C4'-P energy: -66.211
bonds (distance) P-C4' energy: -52.117
flat angles C4'-P-C4' energy: -55.611
flat angles P-C4'-P energy: -36.524
tors. eta vs tors. theta energy: -47.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 330
Temperature: 1.350000
Total energy: -528.630045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.630045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.630045 (E_RNA)
where:
Base-Base interactions energy: -282.942
where: short stacking energy: -138.252
Base-Backbone interact. energy: -5.063
local terms energy: -240.624951
where:
bonds (distance) C4'-P energy: -64.455
bonds (distance) P-C4' energy: -72.201
flat angles C4'-P-C4' energy: -58.823
flat angles P-C4'-P energy: -29.806
tors. eta vs tors. theta energy: -15.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 331
Temperature: 0.900000
Total energy: -1414.346089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1414.346089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1414.346089 (E_RNA)
where:
Base-Base interactions energy: -992.137
where: short stacking energy: -427.573
Base-Backbone interact. energy: -1.002
local terms energy: -421.206546
where:
bonds (distance) C4'-P energy: -76.181
bonds (distance) P-C4' energy: -72.937
flat angles C4'-P-C4' energy: -85.285
flat angles P-C4'-P energy: -62.723
tors. eta vs tors. theta energy: -124.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 331
Temperature: 0.950000
Total energy: -1341.897579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1341.897579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1341.897579 (E_RNA)
where:
Base-Base interactions energy: -914.056
where: short stacking energy: -390.488
Base-Backbone interact. energy: -2.244
local terms energy: -425.597968
where:
bonds (distance) C4'-P energy: -68.788
bonds (distance) P-C4' energy: -83.729
flat angles C4'-P-C4' energy: -93.137
flat angles P-C4'-P energy: -60.986
tors. eta vs tors. theta energy: -118.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 331
Temperature: 1.000000
Total energy: -1264.623163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1264.623163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1264.623163 (E_RNA)
where:
Base-Base interactions energy: -868.084
where: short stacking energy: -372.961
Base-Backbone interact. energy: 3.199
local terms energy: -399.738306
where:
bonds (distance) C4'-P energy: -65.844
bonds (distance) P-C4' energy: -75.827
flat angles C4'-P-C4' energy: -91.010
flat angles P-C4'-P energy: -60.110
tors. eta vs tors. theta energy: -106.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 331
Temperature: 1.050000
Total energy: -1226.156699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1226.156699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1226.156699 (E_RNA)
where:
Base-Base interactions energy: -847.521
where: short stacking energy: -361.518
Base-Backbone interact. energy: -2.526
local terms energy: -376.109734
where:
bonds (distance) C4'-P energy: -62.987
bonds (distance) P-C4' energy: -76.876
flat angles C4'-P-C4' energy: -80.849
flat angles P-C4'-P energy: -51.046
tors. eta vs tors. theta energy: -104.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 331
Temperature: 1.100000
Total energy: -1203.863533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1203.863533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1203.863533 (E_RNA)
where:
Base-Base interactions energy: -849.605
where: short stacking energy: -340.445
Base-Backbone interact. energy: 1.038
local terms energy: -355.295710
where:
bonds (distance) C4'-P energy: -70.906
bonds (distance) P-C4' energy: -79.523
flat angles C4'-P-C4' energy: -72.543
flat angles P-C4'-P energy: -50.145
tors. eta vs tors. theta energy: -82.179
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: 6, replica: 9
=====================================
Write number: 331
Temperature: 1.150000
Total energy: -1035.063783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1035.063783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1035.063783 (E_RNA)
where:
Base-Base interactions energy: -690.266
where: short stacking energy: -262.277
Base-Backbone interact. energy: -0.240
local terms energy: -344.557539
where:
bonds (distance) C4'-P energy: -72.037
bonds (distance) P-C4' energy: -65.690
flat angles C4'-P-C4' energy: -79.854
flat angles P-C4'-P energy: -57.545
tors. eta vs tors. theta energy: -69.431
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: 7, replica: 2
=====================================
Write number: 331
Temperature: 1.200000
Total energy: -901.638306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -901.638306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -901.638306 (E_RNA)
where:
Base-Base interactions energy: -580.282
where: short stacking energy: -264.879
Base-Backbone interact. energy: -1.023
local terms energy: -320.333726
where:
bonds (distance) C4'-P energy: -62.996
bonds (distance) P-C4' energy: -74.031
flat angles C4'-P-C4' energy: -72.189
flat angles P-C4'-P energy: -51.934
tors. eta vs tors. theta energy: -59.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 331
Temperature: 1.250000
Total energy: -837.536435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -837.536435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -837.536435 (E_RNA)
where:
Base-Base interactions energy: -547.995
where: short stacking energy: -245.843
Base-Backbone interact. energy: -0.168
local terms energy: -289.373298
where:
bonds (distance) C4'-P energy: -68.298
bonds (distance) P-C4' energy: -59.606
flat angles C4'-P-C4' energy: -61.830
flat angles P-C4'-P energy: -43.766
tors. eta vs tors. theta energy: -55.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 331
Temperature: 1.300000
Total energy: -707.891660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -707.891660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -707.891660 (E_RNA)
where:
Base-Base interactions energy: -434.217
where: short stacking energy: -222.048
Base-Backbone interact. energy: -0.108
local terms energy: -273.567350
where:
bonds (distance) C4'-P energy: -57.720
bonds (distance) P-C4' energy: -72.913
flat angles C4'-P-C4' energy: -70.435
flat angles P-C4'-P energy: -31.700
tors. eta vs tors. theta energy: -40.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 331
Temperature: 1.350000
Total energy: -601.140747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -601.140747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -601.140747 (E_RNA)
where:
Base-Base interactions energy: -355.242
where: short stacking energy: -173.263
Base-Backbone interact. energy: 4.680
local terms energy: -250.578317
where:
bonds (distance) C4'-P energy: -59.236
bonds (distance) P-C4' energy: -76.498
flat angles C4'-P-C4' energy: -69.584
flat angles P-C4'-P energy: -30.500
tors. eta vs tors. theta energy: -14.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 332
Temperature: 0.900000
Total energy: -1361.260548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1361.260548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1361.260548 (E_RNA)
where:
Base-Base interactions energy: -932.597
where: short stacking energy: -376.434
Base-Backbone interact. energy: -2.756
local terms energy: -425.907561
where:
bonds (distance) C4'-P energy: -80.436
bonds (distance) P-C4' energy: -75.538
flat angles C4'-P-C4' energy: -84.237
flat angles P-C4'-P energy: -61.858
tors. eta vs tors. theta energy: -123.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 332
Temperature: 0.950000
Total energy: -1380.837644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1380.837644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1380.837644 (E_RNA)
where:
Base-Base interactions energy: -966.335
where: short stacking energy: -410.371
Base-Backbone interact. energy: 0.325
local terms energy: -414.828100
where:
bonds (distance) C4'-P energy: -69.166
bonds (distance) P-C4' energy: -82.941
flat angles C4'-P-C4' energy: -86.793
flat angles P-C4'-P energy: -57.552
tors. eta vs tors. theta energy: -118.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 332
Temperature: 1.000000
Total energy: -1273.282026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1273.282026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1273.282026 (E_RNA)
where:
Base-Base interactions energy: -891.823
where: short stacking energy: -368.200
Base-Backbone interact. energy: 4.882
local terms energy: -386.340429
where:
bonds (distance) C4'-P energy: -73.361
bonds (distance) P-C4' energy: -76.560
flat angles C4'-P-C4' energy: -75.590
flat angles P-C4'-P energy: -55.248
tors. eta vs tors. theta energy: -105.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 332
Temperature: 1.050000
Total energy: -1217.847758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1217.847758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1217.847758 (E_RNA)
where:
Base-Base interactions energy: -841.642
where: short stacking energy: -361.998
Base-Backbone interact. energy: -2.931
local terms energy: -373.274611
where:
bonds (distance) C4'-P energy: -68.335
bonds (distance) P-C4' energy: -66.311
flat angles C4'-P-C4' energy: -81.602
flat angles P-C4'-P energy: -53.188
tors. eta vs tors. theta energy: -103.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 332
Temperature: 1.100000
Total energy: -1230.704828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1230.704828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1230.704828 (E_RNA)
where:
Base-Base interactions energy: -865.011
where: short stacking energy: -353.618
Base-Backbone interact. energy: 0.208
local terms energy: -365.901819
where:
bonds (distance) C4'-P energy: -59.877
bonds (distance) P-C4' energy: -67.976
flat angles C4'-P-C4' energy: -87.479
flat angles P-C4'-P energy: -55.533
tors. eta vs tors. theta energy: -95.037
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: 6, replica: 9
=====================================
Write number: 332
Temperature: 1.150000
Total energy: -1031.918854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1031.918854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1031.918854 (E_RNA)
where:
Base-Base interactions energy: -704.179
where: short stacking energy: -301.287
Base-Backbone interact. energy: -2.641
local terms energy: -325.099243
where:
bonds (distance) C4'-P energy: -63.091
bonds (distance) P-C4' energy: -69.152
flat angles C4'-P-C4' energy: -69.510
flat angles P-C4'-P energy: -49.587
tors. eta vs tors. theta energy: -73.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 332
Temperature: 1.200000
Total energy: -921.469590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -921.469590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -921.469590 (E_RNA)
where:
Base-Base interactions energy: -617.863
where: short stacking energy: -272.051
Base-Backbone interact. energy: -1.226
local terms energy: -302.379902
where:
bonds (distance) C4'-P energy: -63.610
bonds (distance) P-C4' energy: -56.470
flat angles C4'-P-C4' energy: -77.292
flat angles P-C4'-P energy: -35.423
tors. eta vs tors. theta energy: -69.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 332
Temperature: 1.250000
Total energy: -858.441447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -858.441447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -858.441447 (E_RNA)
where:
Base-Base interactions energy: -566.112
where: short stacking energy: -259.974
Base-Backbone interact. energy: -0.369
local terms energy: -291.961017
where:
bonds (distance) C4'-P energy: -49.963
bonds (distance) P-C4' energy: -46.632
flat angles C4'-P-C4' energy: -74.858
flat angles P-C4'-P energy: -55.532
tors. eta vs tors. theta energy: -64.976
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: 9, replica: 10
=====================================
Write number: 332
Temperature: 1.300000
Total energy: -726.758558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -726.758558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -726.758558 (E_RNA)
where:
Base-Base interactions energy: -453.426
where: short stacking energy: -224.211
Base-Backbone interact. energy: -1.032
local terms energy: -272.300182
where:
bonds (distance) C4'-P energy: -54.562
bonds (distance) P-C4' energy: -57.438
flat angles C4'-P-C4' energy: -67.161
flat angles P-C4'-P energy: -47.000
tors. eta vs tors. theta energy: -46.139
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: 4
=====================================
Write number: 332
Temperature: 1.350000
Total energy: -613.904200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -613.904200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -613.904200 (E_RNA)
where:
Base-Base interactions energy: -385.234
where: short stacking energy: -188.372
Base-Backbone interact. energy: -0.550
local terms energy: -228.120112
where:
bonds (distance) C4'-P energy: -52.372
bonds (distance) P-C4' energy: -63.441
flat angles C4'-P-C4' energy: -62.636
flat angles P-C4'-P energy: -28.025
tors. eta vs tors. theta energy: -21.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 333
Temperature: 0.900000
Total energy: -1347.931447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1347.931447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1347.931447 (E_RNA)
where:
Base-Base interactions energy: -932.202
where: short stacking energy: -394.666
Base-Backbone interact. energy: -0.664
local terms energy: -415.065946
where:
bonds (distance) C4'-P energy: -76.962
bonds (distance) P-C4' energy: -78.187
flat angles C4'-P-C4' energy: -87.589
flat angles P-C4'-P energy: -51.700
tors. eta vs tors. theta energy: -120.628
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: 5
=====================================
Write number: 333
Temperature: 0.950000
Total energy: -1382.748723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1382.748723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1382.748723 (E_RNA)
where:
Base-Base interactions energy: -976.989
where: short stacking energy: -413.425
Base-Backbone interact. energy: -0.494
local terms energy: -405.265872
where:
bonds (distance) C4'-P energy: -65.984
bonds (distance) P-C4' energy: -81.321
flat angles C4'-P-C4' energy: -84.046
flat angles P-C4'-P energy: -58.314
tors. eta vs tors. theta energy: -115.601
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: 3
=====================================
Write number: 333
Temperature: 1.000000
Total energy: -1281.172460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1281.172460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1281.172460 (E_RNA)
where:
Base-Base interactions energy: -896.805
where: short stacking energy: -371.305
Base-Backbone interact. energy: -0.968
local terms energy: -384.437957
where:
bonds (distance) C4'-P energy: -68.211
bonds (distance) P-C4' energy: -69.044
flat angles C4'-P-C4' energy: -84.087
flat angles P-C4'-P energy: -55.708
tors. eta vs tors. theta energy: -107.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.038 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 333
Temperature: 1.050000
Total energy: -1262.718092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1262.718092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1262.718092 (E_RNA)
where:
Base-Base interactions energy: -888.216
where: short stacking energy: -353.664
Base-Backbone interact. energy: 1.390
local terms energy: -375.891469
where:
bonds (distance) C4'-P energy: -79.302
bonds (distance) P-C4' energy: -70.916
flat angles C4'-P-C4' energy: -74.774
flat angles P-C4'-P energy: -52.815
tors. eta vs tors. theta energy: -98.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 333
Temperature: 1.100000
Total energy: -1203.011849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1203.011849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1203.011849 (E_RNA)
where:
Base-Base interactions energy: -822.993
where: short stacking energy: -353.098
Base-Backbone interact. energy: -1.611
local terms energy: -378.408190
where:
bonds (distance) C4'-P energy: -76.345
bonds (distance) P-C4' energy: -63.614
flat angles C4'-P-C4' energy: -84.846
flat angles P-C4'-P energy: -52.723
tors. eta vs tors. theta energy: -100.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 333
Temperature: 1.150000
Total energy: -1017.545579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1017.545579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1017.545579 (E_RNA)
where:
Base-Base interactions energy: -694.719
where: short stacking energy: -273.861
Base-Backbone interact. energy: 0.698
local terms energy: -323.524970
where:
bonds (distance) C4'-P energy: -70.118
bonds (distance) P-C4' energy: -68.498
flat angles C4'-P-C4' energy: -69.577
flat angles P-C4'-P energy: -49.765
tors. eta vs tors. theta energy: -65.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 333
Temperature: 1.200000
Total energy: -935.864348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -935.864348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -935.864348 (E_RNA)
where:
Base-Base interactions energy: -612.898
where: short stacking energy: -297.642
Base-Backbone interact. energy: -0.703
local terms energy: -322.263023
where:
bonds (distance) C4'-P energy: -60.759
bonds (distance) P-C4' energy: -74.499
flat angles C4'-P-C4' energy: -73.355
flat angles P-C4'-P energy: -36.980
tors. eta vs tors. theta energy: -76.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 333
Temperature: 1.250000
Total energy: -872.597142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -872.597142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -872.597142 (E_RNA)
where:
Base-Base interactions energy: -559.574
where: short stacking energy: -265.436
Base-Backbone interact. energy: 0.247
local terms energy: -313.270099
where:
bonds (distance) C4'-P energy: -68.340
bonds (distance) P-C4' energy: -65.873
flat angles C4'-P-C4' energy: -71.650
flat angles P-C4'-P energy: -43.289
tors. eta vs tors. theta energy: -64.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 333
Temperature: 1.300000
Total energy: -683.164838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -683.164838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -683.164838 (E_RNA)
where:
Base-Base interactions energy: -433.229
where: short stacking energy: -180.650
Base-Backbone interact. energy: -1.181
local terms energy: -248.754826
where:
bonds (distance) C4'-P energy: -49.754
bonds (distance) P-C4' energy: -61.681
flat angles C4'-P-C4' energy: -63.395
flat angles P-C4'-P energy: -43.488
tors. eta vs tors. theta energy: -30.437
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: 333
Temperature: 1.350000
Total energy: -648.188652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -648.188652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -648.188652 (E_RNA)
where:
Base-Base interactions energy: -401.142
where: short stacking energy: -161.911
Base-Backbone interact. energy: -1.464
local terms energy: -245.582249
where:
bonds (distance) C4'-P energy: -49.055
bonds (distance) P-C4' energy: -62.869
flat angles C4'-P-C4' energy: -66.806
flat angles P-C4'-P energy: -43.961
tors. eta vs tors. theta energy: -22.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 334
Temperature: 0.900000
Total energy: -1403.696477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1403.696477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1403.696477 (E_RNA)
where:
Base-Base interactions energy: -971.182
where: short stacking energy: -415.296
Base-Backbone interact. energy: -0.135
local terms energy: -432.379114
where:
bonds (distance) C4'-P energy: -81.441
bonds (distance) P-C4' energy: -71.831
flat angles C4'-P-C4' energy: -91.617
flat angles P-C4'-P energy: -65.644
tors. eta vs tors. theta energy: -121.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 334
Temperature: 0.950000
Total energy: -1331.851906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1331.851906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1331.851906 (E_RNA)
where:
Base-Base interactions energy: -933.562
where: short stacking energy: -397.257
Base-Backbone interact. energy: -0.948
local terms energy: -397.341548
where:
bonds (distance) C4'-P energy: -65.376
bonds (distance) P-C4' energy: -74.231
flat angles C4'-P-C4' energy: -82.674
flat angles P-C4'-P energy: -57.705
tors. eta vs tors. theta energy: -117.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 334
Temperature: 1.000000
Total energy: -1294.387944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1294.387944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1294.387944 (E_RNA)
where:
Base-Base interactions energy: -907.905
where: short stacking energy: -354.426
Base-Backbone interact. energy: -2.589
local terms energy: -383.893385
where:
bonds (distance) C4'-P energy: -73.983
bonds (distance) P-C4' energy: -86.679
flat angles C4'-P-C4' energy: -79.804
flat angles P-C4'-P energy: -54.688
tors. eta vs tors. theta energy: -88.740
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: 334
Temperature: 1.050000
Total energy: -1281.348610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1281.348610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1281.348610 (E_RNA)
where:
Base-Base interactions energy: -887.037
where: short stacking energy: -367.785
Base-Backbone interact. energy: -0.731
local terms energy: -393.581090
where:
bonds (distance) C4'-P energy: -70.105
bonds (distance) P-C4' energy: -79.582
flat angles C4'-P-C4' energy: -85.707
flat angles P-C4'-P energy: -61.146
tors. eta vs tors. theta energy: -97.041
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: 5, replica: 7
=====================================
Write number: 334
Temperature: 1.100000
Total energy: -1188.524063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1188.524063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1188.524063 (E_RNA)
where:
Base-Base interactions energy: -824.725
where: short stacking energy: -354.989
Base-Backbone interact. energy: 3.398
local terms energy: -367.197056
where:
bonds (distance) C4'-P energy: -64.453
bonds (distance) P-C4' energy: -76.857
flat angles C4'-P-C4' energy: -76.406
flat angles P-C4'-P energy: -38.982
tors. eta vs tors. theta energy: -110.499
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: 6, replica: 9
=====================================
Write number: 334
Temperature: 1.150000
Total energy: -1037.208881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1037.208881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1037.208881 (E_RNA)
where:
Base-Base interactions energy: -700.732
where: short stacking energy: -305.560
Base-Backbone interact. energy: 0.480
local terms energy: -336.956581
where:
bonds (distance) C4'-P energy: -63.905
bonds (distance) P-C4' energy: -71.390
flat angles C4'-P-C4' energy: -76.201
flat angles P-C4'-P energy: -52.594
tors. eta vs tors. theta energy: -72.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 334
Temperature: 1.200000
Total energy: -886.562497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -886.562497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -886.562497 (E_RNA)
where:
Base-Base interactions energy: -573.424
where: short stacking energy: -260.563
Base-Backbone interact. energy: 1.884
local terms energy: -315.022518
where:
bonds (distance) C4'-P energy: -71.006
bonds (distance) P-C4' energy: -73.187
flat angles C4'-P-C4' energy: -66.939
flat angles P-C4'-P energy: -42.136
tors. eta vs tors. theta energy: -61.754
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: 8, replica: 2
=====================================
Write number: 334
Temperature: 1.250000
Total energy: -899.760002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -899.760002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -899.760002 (E_RNA)
where:
Base-Base interactions energy: -595.718
where: short stacking energy: -259.742
Base-Backbone interact. energy: -0.038
local terms energy: -304.003602
where:
bonds (distance) C4'-P energy: -63.173
bonds (distance) P-C4' energy: -68.028
flat angles C4'-P-C4' energy: -63.009
flat angles P-C4'-P energy: -37.690
tors. eta vs tors. theta energy: -72.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 334
Temperature: 1.300000
Total energy: -719.543348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -719.543348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -719.543348 (E_RNA)
where:
Base-Base interactions energy: -459.798
where: short stacking energy: -199.287
Base-Backbone interact. energy: 2.515
local terms energy: -262.260452
where:
bonds (distance) C4'-P energy: -51.071
bonds (distance) P-C4' energy: -72.816
flat angles C4'-P-C4' energy: -56.218
flat angles P-C4'-P energy: -41.191
tors. eta vs tors. theta energy: -40.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 334
Temperature: 1.350000
Total energy: -600.544479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -600.544479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -600.544479 (E_RNA)
where:
Base-Base interactions energy: -352.194
where: short stacking energy: -178.187
Base-Backbone interact. energy: -1.559
local terms energy: -246.791251
where:
bonds (distance) C4'-P energy: -65.484
bonds (distance) P-C4' energy: -63.141
flat angles C4'-P-C4' energy: -59.931
flat angles P-C4'-P energy: -35.718
tors. eta vs tors. theta energy: -22.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 335
Temperature: 0.900000
Total energy: -1391.501002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1391.501002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1391.501002 (E_RNA)
where:
Base-Base interactions energy: -973.618
where: short stacking energy: -416.392
Base-Backbone interact. energy: -2.928
local terms energy: -414.954884
where:
bonds (distance) C4'-P energy: -68.443
bonds (distance) P-C4' energy: -77.361
flat angles C4'-P-C4' energy: -82.361
flat angles P-C4'-P energy: -62.765
tors. eta vs tors. theta energy: -124.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 335
Temperature: 0.950000
Total energy: -1326.927764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1326.927764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1326.927764 (E_RNA)
where:
Base-Base interactions energy: -936.183
where: short stacking energy: -390.692
Base-Backbone interact. energy: -3.665
local terms energy: -387.079886
where:
bonds (distance) C4'-P energy: -65.954
bonds (distance) P-C4' energy: -61.553
flat angles C4'-P-C4' energy: -81.607
flat angles P-C4'-P energy: -61.924
tors. eta vs tors. theta energy: -116.042
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: 6
=====================================
Write number: 335
Temperature: 1.000000
Total energy: -1291.369943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1291.369943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1291.369943 (E_RNA)
where:
Base-Base interactions energy: -895.828
where: short stacking energy: -356.571
Base-Backbone interact. energy: -4.585
local terms energy: -390.956871
where:
bonds (distance) C4'-P energy: -77.106
bonds (distance) P-C4' energy: -81.452
flat angles C4'-P-C4' energy: -86.221
flat angles P-C4'-P energy: -50.207
tors. eta vs tors. theta energy: -95.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 335
Temperature: 1.050000
Total energy: -1247.684724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1247.684724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1247.684724 (E_RNA)
where:
Base-Base interactions energy: -882.862
where: short stacking energy: -373.756
Base-Backbone interact. energy: -0.453
local terms energy: -364.369572
where:
bonds (distance) C4'-P energy: -69.501
bonds (distance) P-C4' energy: -66.405
flat angles C4'-P-C4' energy: -78.163
flat angles P-C4'-P energy: -44.701
tors. eta vs tors. theta energy: -105.599
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: 3
=====================================
Write number: 335
Temperature: 1.100000
Total energy: -1219.200941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1219.200941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1219.200941 (E_RNA)
where:
Base-Base interactions energy: -863.838
where: short stacking energy: -346.517
Base-Backbone interact. energy: 0.342
local terms energy: -355.705064
where:
bonds (distance) C4'-P energy: -73.105
bonds (distance) P-C4' energy: -58.255
flat angles C4'-P-C4' energy: -82.747
flat angles P-C4'-P energy: -38.321
tors. eta vs tors. theta energy: -103.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 335
Temperature: 1.150000
Total energy: -1028.719043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1028.719043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1028.719043 (E_RNA)
where:
Base-Base interactions energy: -692.706
where: short stacking energy: -291.604
Base-Backbone interact. energy: 1.639
local terms energy: -338.225380
where:
bonds (distance) C4'-P energy: -73.520
bonds (distance) P-C4' energy: -75.703
flat angles C4'-P-C4' energy: -68.114
flat angles P-C4'-P energy: -49.922
tors. eta vs tors. theta energy: -70.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.573 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 335
Temperature: 1.200000
Total energy: -887.125668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -887.125668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -887.125668 (E_RNA)
where:
Base-Base interactions energy: -568.819
where: short stacking energy: -256.962
Base-Backbone interact. energy: -0.381
local terms energy: -317.925527
where:
bonds (distance) C4'-P energy: -47.074
bonds (distance) P-C4' energy: -68.234
flat angles C4'-P-C4' energy: -78.559
flat angles P-C4'-P energy: -52.265
tors. eta vs tors. theta energy: -71.793
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: 335
Temperature: 1.250000
Total energy: -849.181523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -849.181523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -849.181523 (E_RNA)
where:
Base-Base interactions energy: -552.976
where: short stacking energy: -238.546
Base-Backbone interact. energy: -0.333
local terms energy: -295.872603
where:
bonds (distance) C4'-P energy: -47.436
bonds (distance) P-C4' energy: -65.603
flat angles C4'-P-C4' energy: -77.018
flat angles P-C4'-P energy: -42.347
tors. eta vs tors. theta energy: -63.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 335
Temperature: 1.300000
Total energy: -773.967581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -773.967581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -773.967581 (E_RNA)
where:
Base-Base interactions energy: -486.086
where: short stacking energy: -222.063
Base-Backbone interact. energy: -1.070
local terms energy: -286.812480
where:
bonds (distance) C4'-P energy: -67.104
bonds (distance) P-C4' energy: -73.734
flat angles C4'-P-C4' energy: -62.957
flat angles P-C4'-P energy: -31.562
tors. eta vs tors. theta energy: -51.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 335
Temperature: 1.350000
Total energy: -620.848767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -620.848767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -620.848767 (E_RNA)
where:
Base-Base interactions energy: -391.438
where: short stacking energy: -192.019
Base-Backbone interact. energy: -1.407
local terms energy: -228.003249
where:
bonds (distance) C4'-P energy: -48.205
bonds (distance) P-C4' energy: -55.098
flat angles C4'-P-C4' energy: -58.994
flat angles P-C4'-P energy: -39.140
tors. eta vs tors. theta energy: -26.566
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: 1, replica: 5
=====================================
Write number: 336
Temperature: 0.900000
Total energy: -1399.175974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1399.175974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1399.175974 (E_RNA)
where:
Base-Base interactions energy: -998.653
where: short stacking energy: -413.891
Base-Backbone interact. energy: -2.594
local terms energy: -397.928699
where:
bonds (distance) C4'-P energy: -70.757
bonds (distance) P-C4' energy: -72.044
flat angles C4'-P-C4' energy: -80.338
flat angles P-C4'-P energy: -54.542
tors. eta vs tors. theta energy: -120.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 336
Temperature: 0.950000
Total energy: -1355.971939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1355.971939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1355.971939 (E_RNA)
where:
Base-Base interactions energy: -950.091
where: short stacking energy: -408.286
Base-Backbone interact. energy: -4.197
local terms energy: -401.684049
where:
bonds (distance) C4'-P energy: -78.022
bonds (distance) P-C4' energy: -75.769
flat angles C4'-P-C4' energy: -81.189
flat angles P-C4'-P energy: -52.673
tors. eta vs tors. theta energy: -114.030
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: 6
=====================================
Write number: 336
Temperature: 1.000000
Total energy: -1275.760203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1275.760203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1275.760203 (E_RNA)
where:
Base-Base interactions energy: -893.433
where: short stacking energy: -355.645
Base-Backbone interact. energy: -1.142
local terms energy: -381.184439
where:
bonds (distance) C4'-P energy: -75.157
bonds (distance) P-C4' energy: -65.262
flat angles C4'-P-C4' energy: -86.590
flat angles P-C4'-P energy: -63.423
tors. eta vs tors. theta energy: -90.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 336
Temperature: 1.050000
Total energy: -1228.240318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1228.240318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1228.240318 (E_RNA)
where:
Base-Base interactions energy: -875.141
where: short stacking energy: -364.082
Base-Backbone interact. energy: -1.287
local terms energy: -352.152525
where:
bonds (distance) C4'-P energy: -55.841
bonds (distance) P-C4' energy: -67.523
flat angles C4'-P-C4' energy: -81.163
flat angles P-C4'-P energy: -49.811
tors. eta vs tors. theta energy: -97.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.341 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 336
Temperature: 1.100000
Total energy: -1217.325727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1217.325727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1217.325727 (E_RNA)
where:
Base-Base interactions energy: -863.417
where: short stacking energy: -349.466
Base-Backbone interact. energy: 2.621
local terms energy: -356.529201
where:
bonds (distance) C4'-P energy: -68.560
bonds (distance) P-C4' energy: -72.848
flat angles C4'-P-C4' energy: -73.690
flat angles P-C4'-P energy: -48.986
tors. eta vs tors. theta energy: -92.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 336
Temperature: 1.150000
Total energy: -1087.974178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1087.974178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1087.974178 (E_RNA)
where:
Base-Base interactions energy: -744.062
where: short stacking energy: -310.387
Base-Backbone interact. energy: 0.397
local terms energy: -344.308847
where:
bonds (distance) C4'-P energy: -71.851
bonds (distance) P-C4' energy: -53.395
flat angles C4'-P-C4' energy: -83.613
flat angles P-C4'-P energy: -59.094
tors. eta vs tors. theta energy: -76.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 336
Temperature: 1.200000
Total energy: -891.816184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -891.816184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -891.816184 (E_RNA)
where:
Base-Base interactions energy: -572.291
where: short stacking energy: -257.554
Base-Backbone interact. energy: -0.982
local terms energy: -318.543009
where:
bonds (distance) C4'-P energy: -64.652
bonds (distance) P-C4' energy: -69.652
flat angles C4'-P-C4' energy: -75.627
flat angles P-C4'-P energy: -49.322
tors. eta vs tors. theta energy: -59.289
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: 2
=====================================
Write number: 336
Temperature: 1.250000
Total energy: -864.100266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -864.100266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -864.100266 (E_RNA)
where:
Base-Base interactions energy: -572.233
where: short stacking energy: -252.617
Base-Backbone interact. energy: -0.235
local terms energy: -291.632261
where:
bonds (distance) C4'-P energy: -59.690
bonds (distance) P-C4' energy: -67.581
flat angles C4'-P-C4' energy: -62.975
flat angles P-C4'-P energy: -44.767
tors. eta vs tors. theta energy: -56.619
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: 10
=====================================
Write number: 336
Temperature: 1.300000
Total energy: -795.118679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -795.118679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -795.118679 (E_RNA)
where:
Base-Base interactions energy: -499.216
where: short stacking energy: -239.723
Base-Backbone interact. energy: -0.956
local terms energy: -294.945914
where:
bonds (distance) C4'-P energy: -69.761
bonds (distance) P-C4' energy: -78.261
flat angles C4'-P-C4' energy: -72.453
flat angles P-C4'-P energy: -24.886
tors. eta vs tors. theta energy: -49.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 336
Temperature: 1.350000
Total energy: -635.502181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -635.502181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -635.502181 (E_RNA)
where:
Base-Base interactions energy: -384.700
where: short stacking energy: -176.039
Base-Backbone interact. energy: -1.429
local terms energy: -249.373907
where:
bonds (distance) C4'-P energy: -60.192
bonds (distance) P-C4' energy: -62.442
flat angles C4'-P-C4' energy: -55.602
flat angles P-C4'-P energy: -41.270
tors. eta vs tors. theta energy: -29.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 337
Temperature: 0.900000
Total energy: -1401.317419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1401.317419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1401.317419 (E_RNA)
where:
Base-Base interactions energy: -994.723
where: short stacking energy: -423.849
Base-Backbone interact. energy: -0.755
local terms energy: -405.838839
where:
bonds (distance) C4'-P energy: -67.344
bonds (distance) P-C4' energy: -82.415
flat angles C4'-P-C4' energy: -89.730
flat angles P-C4'-P energy: -44.071
tors. eta vs tors. theta energy: -122.279
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: 2, replica: 8
=====================================
Write number: 337
Temperature: 0.950000
Total energy: -1357.038356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1357.038356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1357.038356 (E_RNA)
where:
Base-Base interactions energy: -942.954
where: short stacking energy: -416.598
Base-Backbone interact. energy: -0.718
local terms energy: -413.366611
where:
bonds (distance) C4'-P energy: -79.806
bonds (distance) P-C4' energy: -69.768
flat angles C4'-P-C4' energy: -92.248
flat angles P-C4'-P energy: -44.657
tors. eta vs tors. theta energy: -126.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 337
Temperature: 1.000000
Total energy: -1285.164088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1285.164088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1285.164088 (E_RNA)
where:
Base-Base interactions energy: -925.032
where: short stacking energy: -352.695
Base-Backbone interact. energy: 1.514
local terms energy: -361.645344
where:
bonds (distance) C4'-P energy: -69.530
bonds (distance) P-C4' energy: -73.089
flat angles C4'-P-C4' energy: -86.782
flat angles P-C4'-P energy: -47.309
tors. eta vs tors. theta energy: -84.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 337
Temperature: 1.050000
Total energy: -1285.045315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1285.045315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1285.045315 (E_RNA)
where:
Base-Base interactions energy: -904.244
where: short stacking energy: -366.421
Base-Backbone interact. energy: -1.673
local terms energy: -379.128375
where:
bonds (distance) C4'-P energy: -63.898
bonds (distance) P-C4' energy: -72.450
flat angles C4'-P-C4' energy: -74.613
flat angles P-C4'-P energy: -65.014
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: 7
=====================================
Write number: 337
Temperature: 1.100000
Total energy: -1200.890756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1200.890756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1200.890756 (E_RNA)
where:
Base-Base interactions energy: -841.127
where: short stacking energy: -331.061
Base-Backbone interact. energy: -1.802
local terms energy: -357.961649
where:
bonds (distance) C4'-P energy: -66.544
bonds (distance) P-C4' energy: -61.674
flat angles C4'-P-C4' energy: -79.831
flat angles P-C4'-P energy: -52.888
tors. eta vs tors. theta energy: -97.024
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: 6, replica: 9
=====================================
Write number: 337
Temperature: 1.150000
Total energy: -1092.636581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1092.636581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1092.636581 (E_RNA)
where:
Base-Base interactions energy: -758.545
where: short stacking energy: -296.942
Base-Backbone interact. energy: -0.134
local terms energy: -333.958020
where:
bonds (distance) C4'-P energy: -66.428
bonds (distance) P-C4' energy: -70.986
flat angles C4'-P-C4' energy: -75.405
flat angles P-C4'-P energy: -47.750
tors. eta vs tors. theta energy: -73.389
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: 1
=====================================
Write number: 337
Temperature: 1.200000
Total energy: -889.977037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -889.977037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -889.977037 (E_RNA)
where:
Base-Base interactions energy: -580.292
where: short stacking energy: -275.711
Base-Backbone interact. energy: 2.642
local terms energy: -312.327083
where:
bonds (distance) C4'-P energy: -64.047
bonds (distance) P-C4' energy: -66.550
flat angles C4'-P-C4' energy: -62.969
flat angles P-C4'-P energy: -42.870
tors. eta vs tors. theta energy: -75.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 337
Temperature: 1.250000
Total energy: -812.845989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -812.845989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -812.845989 (E_RNA)
where:
Base-Base interactions energy: -542.619
where: short stacking energy: -241.348
Base-Backbone interact. energy: -2.729
local terms energy: -267.497716
where:
bonds (distance) C4'-P energy: -69.840
bonds (distance) P-C4' energy: -39.922
flat angles C4'-P-C4' energy: -56.450
flat angles P-C4'-P energy: -39.861
tors. eta vs tors. theta energy: -61.425
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: 9, replica: 10
=====================================
Write number: 337
Temperature: 1.300000
Total energy: -735.807491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -735.807491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -735.807491 (E_RNA)
where:
Base-Base interactions energy: -480.808
where: short stacking energy: -203.063
Base-Backbone interact. energy: 1.634
local terms energy: -256.634037
where:
bonds (distance) C4'-P energy: -56.545
bonds (distance) P-C4' energy: -65.191
flat angles C4'-P-C4' energy: -52.200
flat angles P-C4'-P energy: -46.191
tors. eta vs tors. theta energy: -36.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 337
Temperature: 1.350000
Total energy: -632.368718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -632.368718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -632.368718 (E_RNA)
where:
Base-Base interactions energy: -406.280
where: short stacking energy: -191.070
Base-Backbone interact. energy: -1.255
local terms energy: -224.833954
where:
bonds (distance) C4'-P energy: -59.270
bonds (distance) P-C4' energy: -47.225
flat angles C4'-P-C4' energy: -49.910
flat angles P-C4'-P energy: -39.109
tors. eta vs tors. theta energy: -29.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 338
Temperature: 0.900000
Total energy: -1378.579822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1378.579822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1378.579822 (E_RNA)
where:
Base-Base interactions energy: -963.136
where: short stacking energy: -391.902
Base-Backbone interact. energy: -1.335
local terms energy: -414.108760
where:
bonds (distance) C4'-P energy: -83.590
bonds (distance) P-C4' energy: -79.418
flat angles C4'-P-C4' energy: -86.195
flat angles P-C4'-P energy: -54.184
tors. eta vs tors. theta energy: -110.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 338
Temperature: 0.950000
Total energy: -1356.728577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1356.728577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1356.728577 (E_RNA)
where:
Base-Base interactions energy: -942.535
where: short stacking energy: -408.674
Base-Backbone interact. energy: -1.095
local terms energy: -413.099173
where:
bonds (distance) C4'-P energy: -65.341
bonds (distance) P-C4' energy: -83.871
flat angles C4'-P-C4' energy: -90.196
flat angles P-C4'-P energy: -48.649
tors. eta vs tors. theta energy: -125.043
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: 6
=====================================
Write number: 338
Temperature: 1.000000
Total energy: -1295.517773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1295.517773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1295.517773 (E_RNA)
where:
Base-Base interactions energy: -924.747
where: short stacking energy: -369.282
Base-Backbone interact. energy: -1.087
local terms energy: -369.683772
where:
bonds (distance) C4'-P energy: -67.458
bonds (distance) P-C4' energy: -60.211
flat angles C4'-P-C4' energy: -89.688
flat angles P-C4'-P energy: -53.302
tors. eta vs tors. theta energy: -99.025
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: 3
=====================================
Write number: 338
Temperature: 1.050000
Total energy: -1249.568695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1249.568695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1249.568695 (E_RNA)
where:
Base-Base interactions energy: -885.845
where: short stacking energy: -369.776
Base-Backbone interact. energy: -2.033
local terms energy: -361.690549
where:
bonds (distance) C4'-P energy: -77.727
bonds (distance) P-C4' energy: -73.101
flat angles C4'-P-C4' energy: -81.371
flat angles P-C4'-P energy: -37.705
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: 5, replica: 7
=====================================
Write number: 338
Temperature: 1.100000
Total energy: -1180.502221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1180.502221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1180.502221 (E_RNA)
where:
Base-Base interactions energy: -809.544
where: short stacking energy: -339.663
Base-Backbone interact. energy: -2.449
local terms energy: -368.508820
where:
bonds (distance) C4'-P energy: -60.440
bonds (distance) P-C4' energy: -72.513
flat angles C4'-P-C4' energy: -83.390
flat angles P-C4'-P energy: -52.989
tors. eta vs tors. theta energy: -99.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 338
Temperature: 1.150000
Total energy: -1071.755921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1071.755921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1071.755921 (E_RNA)
where:
Base-Base interactions energy: -758.585
where: short stacking energy: -312.387
Base-Backbone interact. energy: 5.545
local terms energy: -318.715865
where:
bonds (distance) C4'-P energy: -63.046
bonds (distance) P-C4' energy: -68.478
flat angles C4'-P-C4' energy: -74.446
flat angles P-C4'-P energy: -32.127
tors. eta vs tors. theta energy: -80.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 338
Temperature: 1.200000
Total energy: -919.395755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -919.395755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -919.395755 (E_RNA)
where:
Base-Base interactions energy: -606.332
where: short stacking energy: -276.660
Base-Backbone interact. energy: -0.252
local terms energy: -312.812246
where:
bonds (distance) C4'-P energy: -56.478
bonds (distance) P-C4' energy: -75.428
flat angles C4'-P-C4' energy: -66.285
flat angles P-C4'-P energy: -39.994
tors. eta vs tors. theta energy: -74.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 338
Temperature: 1.250000
Total energy: -823.469057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -823.469057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -823.469057 (E_RNA)
where:
Base-Base interactions energy: -521.820
where: short stacking energy: -238.770
Base-Backbone interact. energy: -1.223
local terms energy: -300.426110
where:
bonds (distance) C4'-P energy: -63.943
bonds (distance) P-C4' energy: -77.096
flat angles C4'-P-C4' energy: -53.763
flat angles P-C4'-P energy: -47.616
tors. eta vs tors. theta energy: -58.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 338
Temperature: 1.300000
Total energy: -735.836551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -735.836551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -735.836551 (E_RNA)
where:
Base-Base interactions energy: -473.977
where: short stacking energy: -205.209
Base-Backbone interact. energy: -1.054
local terms energy: -260.805392
where:
bonds (distance) C4'-P energy: -57.334
bonds (distance) P-C4' energy: -59.937
flat angles C4'-P-C4' energy: -57.547
flat angles P-C4'-P energy: -45.445
tors. eta vs tors. theta energy: -40.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 338
Temperature: 1.350000
Total energy: -625.393256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -625.393256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -625.393256 (E_RNA)
where:
Base-Base interactions energy: -399.062
where: short stacking energy: -182.476
Base-Backbone interact. energy: 0.579
local terms energy: -226.909498
where:
bonds (distance) C4'-P energy: -53.301
bonds (distance) P-C4' energy: -64.211
flat angles C4'-P-C4' energy: -50.880
flat angles P-C4'-P energy: -37.133
tors. eta vs tors. theta energy: -21.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 339
Temperature: 0.900000
Total energy: -1402.868190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1402.868190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1402.868190 (E_RNA)
where:
Base-Base interactions energy: -977.340
where: short stacking energy: -402.274
Base-Backbone interact. energy: -1.545
local terms energy: -423.983178
where:
bonds (distance) C4'-P energy: -74.714
bonds (distance) P-C4' energy: -82.032
flat angles C4'-P-C4' energy: -91.418
flat angles P-C4'-P energy: -57.227
tors. eta vs tors. theta energy: -118.592
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: 2, replica: 8
=====================================
Write number: 339
Temperature: 0.950000
Total energy: -1343.823307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1343.823307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1343.823307 (E_RNA)
where:
Base-Base interactions energy: -936.965
where: short stacking energy: -397.213
Base-Backbone interact. energy: -0.352
local terms energy: -406.506357
where:
bonds (distance) C4'-P energy: -77.517
bonds (distance) P-C4' energy: -71.675
flat angles C4'-P-C4' energy: -87.298
flat angles P-C4'-P energy: -48.693
tors. eta vs tors. theta energy: -121.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 339
Temperature: 1.000000
Total energy: -1291.425115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1291.425115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1291.425115 (E_RNA)
where:
Base-Base interactions energy: -910.948
where: short stacking energy: -371.899
Base-Backbone interact. energy: 4.114
local terms energy: -384.591139
where:
bonds (distance) C4'-P energy: -76.493
bonds (distance) P-C4' energy: -70.705
flat angles C4'-P-C4' energy: -86.626
flat angles P-C4'-P energy: -54.377
tors. eta vs tors. theta energy: -96.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 339
Temperature: 1.050000
Total energy: -1271.477727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1271.477727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1271.477727 (E_RNA)
where:
Base-Base interactions energy: -861.551
where: short stacking energy: -353.383
Base-Backbone interact. energy: 2.515
local terms energy: -412.442108
where:
bonds (distance) C4'-P energy: -77.155
bonds (distance) P-C4' energy: -88.110
flat angles C4'-P-C4' energy: -85.464
flat angles P-C4'-P energy: -59.384
tors. eta vs tors. theta energy: -102.329
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: 7
=====================================
Write number: 339
Temperature: 1.100000
Total energy: -1176.675647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1176.675647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1176.675647 (E_RNA)
where:
Base-Base interactions energy: -795.072
where: short stacking energy: -312.291
Base-Backbone interact. energy: 2.886
local terms energy: -384.489684
where:
bonds (distance) C4'-P energy: -84.990
bonds (distance) P-C4' energy: -73.667
flat angles C4'-P-C4' energy: -80.623
flat angles P-C4'-P energy: -53.617
tors. eta vs tors. theta energy: -91.593
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: 9
=====================================
Write number: 339
Temperature: 1.150000
Total energy: -1074.002835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1074.002835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1074.002835 (E_RNA)
where:
Base-Base interactions energy: -730.776
where: short stacking energy: -303.868
Base-Backbone interact. energy: -2.137
local terms energy: -341.090134
where:
bonds (distance) C4'-P energy: -75.397
bonds (distance) P-C4' energy: -71.581
flat angles C4'-P-C4' energy: -77.996
flat angles P-C4'-P energy: -45.767
tors. eta vs tors. theta energy: -70.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 339
Temperature: 1.200000
Total energy: -912.299033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -912.299033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -912.299033 (E_RNA)
where:
Base-Base interactions energy: -601.580
where: short stacking energy: -269.887
Base-Backbone interact. energy: -0.330
local terms energy: -310.389293
where:
bonds (distance) C4'-P energy: -74.008
bonds (distance) P-C4' energy: -71.413
flat angles C4'-P-C4' energy: -64.276
flat angles P-C4'-P energy: -25.443
tors. eta vs tors. theta energy: -75.249
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: 8, replica: 2
=====================================
Write number: 339
Temperature: 1.250000
Total energy: -807.547360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -807.547360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -807.547360 (E_RNA)
where:
Base-Base interactions energy: -523.760
where: short stacking energy: -262.003
Base-Backbone interact. energy: -1.380
local terms energy: -282.407540
where:
bonds (distance) C4'-P energy: -58.273
bonds (distance) P-C4' energy: -60.726
flat angles C4'-P-C4' energy: -63.993
flat angles P-C4'-P energy: -38.447
tors. eta vs tors. theta energy: -60.968
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: 10
=====================================
Write number: 339
Temperature: 1.300000
Total energy: -714.928195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -714.928195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -714.928195 (E_RNA)
where:
Base-Base interactions energy: -455.630
where: short stacking energy: -206.175
Base-Backbone interact. energy: 2.443
local terms energy: -261.740687
where:
bonds (distance) C4'-P energy: -58.603
bonds (distance) P-C4' energy: -63.238
flat angles C4'-P-C4' energy: -59.579
flat angles P-C4'-P energy: -48.960
tors. eta vs tors. theta energy: -31.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 339
Temperature: 1.350000
Total energy: -632.760237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -632.760237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -632.760237 (E_RNA)
where:
Base-Base interactions energy: -387.400
where: short stacking energy: -194.341
Base-Backbone interact. energy: -1.544
local terms energy: -243.816744
where:
bonds (distance) C4'-P energy: -57.337
bonds (distance) P-C4' energy: -56.140
flat angles C4'-P-C4' energy: -69.632
flat angles P-C4'-P energy: -28.593
tors. eta vs tors. theta energy: -32.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 340
Temperature: 0.900000
Total energy: -1366.628873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1366.628873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1366.628873 (E_RNA)
where:
Base-Base interactions energy: -958.107
where: short stacking energy: -401.570
Base-Backbone interact. energy: -1.870
local terms energy: -406.652392
where:
bonds (distance) C4'-P energy: -73.867
bonds (distance) P-C4' energy: -76.278
flat angles C4'-P-C4' energy: -87.347
flat angles P-C4'-P energy: -48.595
tors. eta vs tors. theta energy: -120.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 340
Temperature: 0.950000
Total energy: -1357.234022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1357.234022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1357.234022 (E_RNA)
where:
Base-Base interactions energy: -959.431
where: short stacking energy: -414.207
Base-Backbone interact. energy: -1.800
local terms energy: -396.002564
where:
bonds (distance) C4'-P energy: -70.004
bonds (distance) P-C4' energy: -76.715
flat angles C4'-P-C4' energy: -85.421
flat angles P-C4'-P energy: -47.311
tors. eta vs tors. theta energy: -116.551
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: 3, replica: 3
=====================================
Write number: 340
Temperature: 1.000000
Total energy: -1333.276442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1333.276442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1333.276442 (E_RNA)
where:
Base-Base interactions energy: -935.644
where: short stacking energy: -390.122
Base-Backbone interact. energy: -3.682
local terms energy: -397.003043
where:
bonds (distance) C4'-P energy: -65.026
bonds (distance) P-C4' energy: -72.227
flat angles C4'-P-C4' energy: -88.276
flat angles P-C4'-P energy: -64.294
tors. eta vs tors. theta energy: -107.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 3.052 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 340
Temperature: 1.050000
Total energy: -1270.248215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1270.248215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1270.248215 (E_RNA)
where:
Base-Base interactions energy: -910.782
where: short stacking energy: -358.777
Base-Backbone interact. energy: -0.245
local terms energy: -359.221780
where:
bonds (distance) C4'-P energy: -59.912
bonds (distance) P-C4' energy: -70.738
flat angles C4'-P-C4' energy: -78.298
flat angles P-C4'-P energy: -50.925
tors. eta vs tors. theta energy: -99.349
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: 5, replica: 7
=====================================
Write number: 340
Temperature: 1.100000
Total energy: -1202.264034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1202.264034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1202.264034 (E_RNA)
where:
Base-Base interactions energy: -829.138
where: short stacking energy: -354.490
Base-Backbone interact. energy: -1.729
local terms energy: -371.396929
where:
bonds (distance) C4'-P energy: -68.074
bonds (distance) P-C4' energy: -60.451
flat angles C4'-P-C4' energy: -74.081
flat angles P-C4'-P energy: -59.359
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: 6, replica: 9
=====================================
Write number: 340
Temperature: 1.150000
Total energy: -1068.521345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1068.521345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1068.521345 (E_RNA)
where:
Base-Base interactions energy: -742.128
where: short stacking energy: -304.487
Base-Backbone interact. energy: -2.171
local terms energy: -324.222334
where:
bonds (distance) C4'-P energy: -61.409
bonds (distance) P-C4' energy: -65.853
flat angles C4'-P-C4' energy: -73.272
flat angles P-C4'-P energy: -48.806
tors. eta vs tors. theta energy: -74.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 340
Temperature: 1.200000
Total energy: -919.338428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -919.338428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -919.338428 (E_RNA)
where:
Base-Base interactions energy: -591.329
where: short stacking energy: -265.241
Base-Backbone interact. energy: 1.015
local terms energy: -329.023868
where:
bonds (distance) C4'-P energy: -78.055
bonds (distance) P-C4' energy: -73.158
flat angles C4'-P-C4' energy: -68.318
flat angles P-C4'-P energy: -47.649
tors. eta vs tors. theta energy: -61.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 340
Temperature: 1.250000
Total energy: -836.969216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -836.969216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -836.969216 (E_RNA)
where:
Base-Base interactions energy: -542.708
where: short stacking energy: -243.302
Base-Backbone interact. energy: 1.010
local terms energy: -295.271077
where:
bonds (distance) C4'-P energy: -65.598
bonds (distance) P-C4' energy: -44.990
flat angles C4'-P-C4' energy: -81.398
flat angles P-C4'-P energy: -45.907
tors. eta vs tors. theta energy: -57.378
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: 10
=====================================
Write number: 340
Temperature: 1.300000
Total energy: -685.467573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -685.467573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -685.467573 (E_RNA)
where:
Base-Base interactions energy: -421.889
where: short stacking energy: -192.368
Base-Backbone interact. energy: -0.984
local terms energy: -262.595238
where:
bonds (distance) C4'-P energy: -50.505
bonds (distance) P-C4' energy: -64.976
flat angles C4'-P-C4' energy: -79.566
flat angles P-C4'-P energy: -50.250
tors. eta vs tors. theta energy: -17.297
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: 4
=====================================
Write number: 340
Temperature: 1.350000
Total energy: -701.993997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -701.993997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -701.993997 (E_RNA)
where:
Base-Base interactions energy: -438.453
where: short stacking energy: -215.587
Base-Backbone interact. energy: -1.196
local terms energy: -262.344268
where:
bonds (distance) C4'-P energy: -56.317
bonds (distance) P-C4' energy: -68.146
flat angles C4'-P-C4' energy: -68.799
flat angles P-C4'-P energy: -22.732
tors. eta vs tors. theta energy: -46.350
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: 1, replica: 8
=====================================
Write number: 341
Temperature: 0.900000
Total energy: -1368.395312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1368.395312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1368.395312 (E_RNA)
where:
Base-Base interactions energy: -940.703
where: short stacking energy: -394.375
Base-Backbone interact. energy: -2.167
local terms energy: -425.525731
where:
bonds (distance) C4'-P energy: -79.036
bonds (distance) P-C4' energy: -86.143
flat angles C4'-P-C4' energy: -86.974
flat angles P-C4'-P energy: -51.207
tors. eta vs tors. theta energy: -122.165
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: 341
Temperature: 0.950000
Total energy: -1354.454345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1354.454345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1354.454345 (E_RNA)
where:
Base-Base interactions energy: -947.216
where: short stacking energy: -386.691
Base-Backbone interact. energy: -2.993
local terms energy: -404.245001
where:
bonds (distance) C4'-P energy: -69.618
bonds (distance) P-C4' energy: -90.307
flat angles C4'-P-C4' energy: -75.630
flat angles P-C4'-P energy: -57.411
tors. eta vs tors. theta energy: -111.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 341
Temperature: 1.000000
Total energy: -1339.495027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1339.495027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1339.495027 (E_RNA)
where:
Base-Base interactions energy: -932.201
where: short stacking energy: -397.140
Base-Backbone interact. energy: -2.129
local terms energy: -405.165147
where:
bonds (distance) C4'-P energy: -73.335
bonds (distance) P-C4' energy: -74.283
flat angles C4'-P-C4' energy: -87.029
flat angles P-C4'-P energy: -50.993
tors. eta vs tors. theta energy: -119.525
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: 4, replica: 6
=====================================
Write number: 341
Temperature: 1.050000
Total energy: -1260.540973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1260.540973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1260.540973 (E_RNA)
where:
Base-Base interactions energy: -888.712
where: short stacking energy: -357.798
Base-Backbone interact. energy: -0.760
local terms energy: -371.068572
where:
bonds (distance) C4'-P energy: -69.568
bonds (distance) P-C4' energy: -66.020
flat angles C4'-P-C4' energy: -84.933
flat angles P-C4'-P energy: -52.589
tors. eta vs tors. theta energy: -97.959
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: 5, replica: 7
=====================================
Write number: 341
Temperature: 1.100000
Total energy: -1197.968945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1197.968945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1197.968945 (E_RNA)
where:
Base-Base interactions energy: -826.298
where: short stacking energy: -359.431
Base-Backbone interact. energy: -1.096
local terms energy: -370.575025
where:
bonds (distance) C4'-P energy: -80.078
bonds (distance) P-C4' energy: -51.714
flat angles C4'-P-C4' energy: -80.813
flat angles P-C4'-P energy: -51.881
tors. eta vs tors. theta energy: -106.090
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: 9
=====================================
Write number: 341
Temperature: 1.150000
Total energy: -1075.032013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1075.032013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1075.032013 (E_RNA)
where:
Base-Base interactions energy: -742.539
where: short stacking energy: -301.898
Base-Backbone interact. energy: 3.455
local terms energy: -335.948115
where:
bonds (distance) C4'-P energy: -67.916
bonds (distance) P-C4' energy: -73.872
flat angles C4'-P-C4' energy: -74.184
flat angles P-C4'-P energy: -44.196
tors. eta vs tors. theta energy: -75.780
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: 7, replica: 1
=====================================
Write number: 341
Temperature: 1.200000
Total energy: -912.825877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -912.825877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -912.825877 (E_RNA)
where:
Base-Base interactions energy: -606.565
where: short stacking energy: -280.376
Base-Backbone interact. energy: -1.583
local terms energy: -304.677297
where:
bonds (distance) C4'-P energy: -61.368
bonds (distance) P-C4' energy: -63.011
flat angles C4'-P-C4' energy: -63.172
flat angles P-C4'-P energy: -54.173
tors. eta vs tors. theta energy: -62.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 341
Temperature: 1.250000
Total energy: -862.592057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -862.592057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -862.592057 (E_RNA)
where:
Base-Base interactions energy: -584.215
where: short stacking energy: -258.837
Base-Backbone interact. energy: -2.399
local terms energy: -275.978210
where:
bonds (distance) C4'-P energy: -55.316
bonds (distance) P-C4' energy: -61.845
flat angles C4'-P-C4' energy: -66.135
flat angles P-C4'-P energy: -34.461
tors. eta vs tors. theta energy: -58.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 341
Temperature: 1.300000
Total energy: -672.602511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -672.602511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -672.602511 (E_RNA)
where:
Base-Base interactions energy: -408.558
where: short stacking energy: -180.648
Base-Backbone interact. energy: -2.450
local terms energy: -261.594257
where:
bonds (distance) C4'-P energy: -68.693
bonds (distance) P-C4' energy: -67.369
flat angles C4'-P-C4' energy: -57.873
flat angles P-C4'-P energy: -41.830
tors. eta vs tors. theta energy: -25.829
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: 10, replica: 4
=====================================
Write number: 341
Temperature: 1.350000
Total energy: -725.787828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -725.787828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -725.787828 (E_RNA)
where:
Base-Base interactions energy: -459.929
where: short stacking energy: -202.831
Base-Backbone interact. energy: -0.967
local terms energy: -264.892073
where:
bonds (distance) C4'-P energy: -54.143
bonds (distance) P-C4' energy: -54.654
flat angles C4'-P-C4' energy: -70.710
flat angles P-C4'-P energy: -46.743
tors. eta vs tors. theta energy: -38.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 342
Temperature: 0.900000
Total energy: -1367.570281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1367.570281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1367.570281 (E_RNA)
where:
Base-Base interactions energy: -968.994
where: short stacking energy: -411.711
Base-Backbone interact. energy: -3.206
local terms energy: -395.370988
where:
bonds (distance) C4'-P energy: -67.022
bonds (distance) P-C4' energy: -75.754
flat angles C4'-P-C4' energy: -80.629
flat angles P-C4'-P energy: -51.661
tors. eta vs tors. theta energy: -120.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 342
Temperature: 0.950000
Total energy: -1353.879293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1353.879293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1353.879293 (E_RNA)
where:
Base-Base interactions energy: -938.501
where: short stacking energy: -401.710
Base-Backbone interact. energy: -1.685
local terms energy: -413.692589
where:
bonds (distance) C4'-P energy: -75.389
bonds (distance) P-C4' energy: -74.980
flat angles C4'-P-C4' energy: -87.019
flat angles P-C4'-P energy: -62.454
tors. eta vs tors. theta energy: -113.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 342
Temperature: 1.000000
Total energy: -1336.043663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1336.043663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1336.043663 (E_RNA)
where:
Base-Base interactions energy: -945.512
where: short stacking energy: -382.151
Base-Backbone interact. energy: -0.489
local terms energy: -390.041784
where:
bonds (distance) C4'-P energy: -68.252
bonds (distance) P-C4' energy: -66.135
flat angles C4'-P-C4' energy: -81.248
flat angles P-C4'-P energy: -59.299
tors. eta vs tors. theta energy: -115.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 342
Temperature: 1.050000
Total energy: -1269.513294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1269.513294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1269.513294 (E_RNA)
where:
Base-Base interactions energy: -905.468
where: short stacking energy: -361.566
Base-Backbone interact. energy: 0.243
local terms energy: -364.288486
where:
bonds (distance) C4'-P energy: -75.048
bonds (distance) P-C4' energy: -71.375
flat angles C4'-P-C4' energy: -70.692
flat angles P-C4'-P energy: -49.362
tors. eta vs tors. theta energy: -97.812
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: 7
=====================================
Write number: 342
Temperature: 1.100000
Total energy: -1167.785854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1167.785854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1167.785854 (E_RNA)
where:
Base-Base interactions energy: -807.655
where: short stacking energy: -330.789
Base-Backbone interact. energy: 0.744
local terms energy: -360.875497
where:
bonds (distance) C4'-P energy: -64.341
bonds (distance) P-C4' energy: -72.727
flat angles C4'-P-C4' energy: -81.725
flat angles P-C4'-P energy: -47.674
tors. eta vs tors. theta energy: -94.409
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: 6, replica: 9
=====================================
Write number: 342
Temperature: 1.150000
Total energy: -1062.533267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1062.533267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1062.533267 (E_RNA)
where:
Base-Base interactions energy: -726.743
where: short stacking energy: -297.424
Base-Backbone interact. energy: -2.302
local terms energy: -333.488243
where:
bonds (distance) C4'-P energy: -62.198
bonds (distance) P-C4' energy: -67.149
flat angles C4'-P-C4' energy: -69.215
flat angles P-C4'-P energy: -44.589
tors. eta vs tors. theta energy: -90.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 342
Temperature: 1.200000
Total energy: -876.027872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -876.027872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -876.027872 (E_RNA)
where:
Base-Base interactions energy: -582.101
where: short stacking energy: -270.938
Base-Backbone interact. energy: 1.924
local terms energy: -295.850356
where:
bonds (distance) C4'-P energy: -73.137
bonds (distance) P-C4' energy: -63.734
flat angles C4'-P-C4' energy: -66.249
flat angles P-C4'-P energy: -32.003
tors. eta vs tors. theta energy: -60.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 342
Temperature: 1.250000
Total energy: -863.465014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -863.465014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -863.465014 (E_RNA)
where:
Base-Base interactions energy: -546.806
where: short stacking energy: -229.977
Base-Backbone interact. energy: -0.550
local terms energy: -316.109202
where:
bonds (distance) C4'-P energy: -74.715
bonds (distance) P-C4' energy: -73.428
flat angles C4'-P-C4' energy: -64.736
flat angles P-C4'-P energy: -36.690
tors. eta vs tors. theta energy: -66.541
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: 9, replica: 4
=====================================
Write number: 342
Temperature: 1.300000
Total energy: -733.873255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -733.873255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -733.873255 (E_RNA)
where:
Base-Base interactions energy: -473.490
where: short stacking energy: -210.543
Base-Backbone interact. energy: -0.396
local terms energy: -259.987283
where:
bonds (distance) C4'-P energy: -46.125
bonds (distance) P-C4' energy: -67.848
flat angles C4'-P-C4' energy: -69.066
flat angles P-C4'-P energy: -30.926
tors. eta vs tors. theta energy: -46.022
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: 10
=====================================
Write number: 342
Temperature: 1.350000
Total energy: -643.178085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -643.178085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -643.178085 (E_RNA)
where:
Base-Base interactions energy: -393.299
where: short stacking energy: -171.273
Base-Backbone interact. energy: 5.137
local terms energy: -255.016585
where:
bonds (distance) C4'-P energy: -64.173
bonds (distance) P-C4' energy: -59.086
flat angles C4'-P-C4' energy: -63.562
flat angles P-C4'-P energy: -41.393
tors. eta vs tors. theta energy: -26.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 343
Temperature: 0.900000
Total energy: -1353.377321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1353.377321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1353.377321 (E_RNA)
where:
Base-Base interactions energy: -932.422
where: short stacking energy: -402.765
Base-Backbone interact. energy: -1.645
local terms energy: -419.311144
where:
bonds (distance) C4'-P energy: -75.534
bonds (distance) P-C4' energy: -78.618
flat angles C4'-P-C4' energy: -88.002
flat angles P-C4'-P energy: -54.235
tors. eta vs tors. theta energy: -122.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 343
Temperature: 0.950000
Total energy: -1353.915182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1353.915182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1353.915182 (E_RNA)
where:
Base-Base interactions energy: -939.788
where: short stacking energy: -397.257
Base-Backbone interact. energy: -0.575
local terms energy: -413.551591
where:
bonds (distance) C4'-P energy: -78.470
bonds (distance) P-C4' energy: -73.934
flat angles C4'-P-C4' energy: -88.259
flat angles P-C4'-P energy: -56.141
tors. eta vs tors. theta energy: -116.749
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: 3, replica: 3
=====================================
Write number: 343
Temperature: 1.000000
Total energy: -1318.959759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1318.959759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1318.959759 (E_RNA)
where:
Base-Base interactions energy: -927.410
where: short stacking energy: -381.657
Base-Backbone interact. energy: -1.256
local terms energy: -390.293409
where:
bonds (distance) C4'-P energy: -64.803
bonds (distance) P-C4' energy: -64.004
flat angles C4'-P-C4' energy: -85.012
flat angles P-C4'-P energy: -60.386
tors. eta vs tors. theta energy: -116.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 343
Temperature: 1.050000
Total energy: -1210.353977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1210.353977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1210.353977 (E_RNA)
where:
Base-Base interactions energy: -857.880
where: short stacking energy: -345.683
Base-Backbone interact. energy: -1.185
local terms energy: -351.289580
where:
bonds (distance) C4'-P energy: -61.771
bonds (distance) P-C4' energy: -75.084
flat angles C4'-P-C4' energy: -73.412
flat angles P-C4'-P energy: -58.512
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: 5, replica: 7
=====================================
Write number: 343
Temperature: 1.100000
Total energy: -1184.861056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1184.861056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1184.861056 (E_RNA)
where:
Base-Base interactions energy: -800.796
where: short stacking energy: -345.002
Base-Backbone interact. energy: -1.058
local terms energy: -383.007560
where:
bonds (distance) C4'-P energy: -73.042
bonds (distance) P-C4' energy: -84.256
flat angles C4'-P-C4' energy: -71.269
flat angles P-C4'-P energy: -52.657
tors. eta vs tors. theta energy: -101.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 343
Temperature: 1.150000
Total energy: -1060.678985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1060.678985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1060.678985 (E_RNA)
where:
Base-Base interactions energy: -733.686
where: short stacking energy: -306.885
Base-Backbone interact. energy: 0.073
local terms energy: -327.066422
where:
bonds (distance) C4'-P energy: -58.065
bonds (distance) P-C4' energy: -75.820
flat angles C4'-P-C4' energy: -66.639
flat angles P-C4'-P energy: -51.092
tors. eta vs tors. theta energy: -75.450
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: 343
Temperature: 1.200000
Total energy: -885.160515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -885.160515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -885.160515 (E_RNA)
where:
Base-Base interactions energy: -599.740
where: short stacking energy: -266.953
Base-Backbone interact. energy: -1.491
local terms energy: -283.929984
where:
bonds (distance) C4'-P energy: -43.246
bonds (distance) P-C4' energy: -60.369
flat angles C4'-P-C4' energy: -71.279
flat angles P-C4'-P energy: -42.214
tors. eta vs tors. theta energy: -66.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 343
Temperature: 1.250000
Total energy: -867.962957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -867.962957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -867.962957 (E_RNA)
where:
Base-Base interactions energy: -573.215
where: short stacking energy: -252.431
Base-Backbone interact. energy: -1.218
local terms energy: -293.530800
where:
bonds (distance) C4'-P energy: -55.487
bonds (distance) P-C4' energy: -63.694
flat angles C4'-P-C4' energy: -64.494
flat angles P-C4'-P energy: -46.524
tors. eta vs tors. theta energy: -63.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 343
Temperature: 1.300000
Total energy: -767.805892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -767.805892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -767.805892 (E_RNA)
where:
Base-Base interactions energy: -484.312
where: short stacking energy: -213.631
Base-Backbone interact. energy: -1.022
local terms energy: -282.471734
where:
bonds (distance) C4'-P energy: -61.094
bonds (distance) P-C4' energy: -66.689
flat angles C4'-P-C4' energy: -69.956
flat angles P-C4'-P energy: -40.769
tors. eta vs tors. theta energy: -43.965
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: 343
Temperature: 1.350000
Total energy: -694.245259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -694.245259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -694.245259 (E_RNA)
where:
Base-Base interactions energy: -460.289
where: short stacking energy: -207.159
Base-Backbone interact. energy: -0.985
local terms energy: -232.970875
where:
bonds (distance) C4'-P energy: -49.772
bonds (distance) P-C4' energy: -55.340
flat angles C4'-P-C4' energy: -54.138
flat angles P-C4'-P energy: -42.091
tors. eta vs tors. theta energy: -31.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 344
Temperature: 0.900000
Total energy: -1360.212152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1360.212152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1360.212152 (E_RNA)
where:
Base-Base interactions energy: -952.714
where: short stacking energy: -422.675
Base-Backbone interact. energy: -1.803
local terms energy: -405.695563
where:
bonds (distance) C4'-P energy: -74.048
bonds (distance) P-C4' energy: -72.242
flat angles C4'-P-C4' energy: -82.847
flat angles P-C4'-P energy: -57.740
tors. eta vs tors. theta energy: -118.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 344
Temperature: 0.950000
Total energy: -1346.352005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1346.352005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1346.352005 (E_RNA)
where:
Base-Base interactions energy: -936.166
where: short stacking energy: -377.991
Base-Backbone interact. energy: -2.950
local terms energy: -407.236052
where:
bonds (distance) C4'-P energy: -71.586
bonds (distance) P-C4' energy: -74.136
flat angles C4'-P-C4' energy: -85.053
flat angles P-C4'-P energy: -62.217
tors. eta vs tors. theta energy: -114.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 344
Temperature: 1.000000
Total energy: -1331.764998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1331.764998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1331.764998 (E_RNA)
where:
Base-Base interactions energy: -921.899
where: short stacking energy: -384.831
Base-Backbone interact. energy: 3.099
local terms energy: -412.964513
where:
bonds (distance) C4'-P energy: -74.299
bonds (distance) P-C4' energy: -75.097
flat angles C4'-P-C4' energy: -90.759
flat angles P-C4'-P energy: -60.228
tors. eta vs tors. theta energy: -112.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 344
Temperature: 1.050000
Total energy: -1243.945106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1243.945106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1243.945106 (E_RNA)
where:
Base-Base interactions energy: -873.820
where: short stacking energy: -364.121
Base-Backbone interact. energy: -2.032
local terms energy: -368.092641
where:
bonds (distance) C4'-P energy: -67.875
bonds (distance) P-C4' energy: -68.647
flat angles C4'-P-C4' energy: -78.126
flat angles P-C4'-P energy: -56.079
tors. eta vs tors. theta energy: -97.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 344
Temperature: 1.100000
Total energy: -1186.103150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1186.103150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1186.103150 (E_RNA)
where:
Base-Base interactions energy: -829.930
where: short stacking energy: -350.706
Base-Backbone interact. energy: -1.151
local terms energy: -355.022487
where:
bonds (distance) C4'-P energy: -67.995
bonds (distance) P-C4' energy: -57.571
flat angles C4'-P-C4' energy: -85.362
flat angles P-C4'-P energy: -55.303
tors. eta vs tors. theta energy: -88.792
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: 9
=====================================
Write number: 344
Temperature: 1.150000
Total energy: -1075.627864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1075.627864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1075.627864 (E_RNA)
where:
Base-Base interactions energy: -711.521
where: short stacking energy: -300.603
Base-Backbone interact. energy: -2.057
local terms energy: -362.049820
where:
bonds (distance) C4'-P energy: -73.034
bonds (distance) P-C4' energy: -79.514
flat angles C4'-P-C4' energy: -83.139
flat angles P-C4'-P energy: -36.424
tors. eta vs tors. theta energy: -89.939
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: 7, replica: 1
=====================================
Write number: 344
Temperature: 1.200000
Total energy: -898.883952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -898.883952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -898.883952 (E_RNA)
where:
Base-Base interactions energy: -601.677
where: short stacking energy: -273.949
Base-Backbone interact. energy: -1.193
local terms energy: -296.013937
where:
bonds (distance) C4'-P energy: -53.099
bonds (distance) P-C4' energy: -69.210
flat angles C4'-P-C4' energy: -73.087
flat angles P-C4'-P energy: -35.817
tors. eta vs tors. theta energy: -64.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 344
Temperature: 1.250000
Total energy: -924.718817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -924.718817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -924.718817 (E_RNA)
where:
Base-Base interactions energy: -611.635
where: short stacking energy: -268.869
Base-Backbone interact. energy: 3.491
local terms energy: -316.574291
where:
bonds (distance) C4'-P energy: -58.597
bonds (distance) P-C4' energy: -67.499
flat angles C4'-P-C4' energy: -68.528
flat angles P-C4'-P energy: -49.667
tors. eta vs tors. theta energy: -72.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 344
Temperature: 1.300000
Total energy: -684.239667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -684.239667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -684.239667 (E_RNA)
where:
Base-Base interactions energy: -410.125
where: short stacking energy: -199.558
Base-Backbone interact. energy: 1.789
local terms energy: -276.540336
where:
bonds (distance) C4'-P energy: -62.969
bonds (distance) P-C4' energy: -78.810
flat angles C4'-P-C4' energy: -65.287
flat angles P-C4'-P energy: -36.806
tors. eta vs tors. theta energy: -32.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.637 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 344
Temperature: 1.350000
Total energy: -711.990731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -711.990731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -711.990731 (E_RNA)
where:
Base-Base interactions energy: -468.393
where: short stacking energy: -199.295
Base-Backbone interact. energy: 0.015
local terms energy: -243.612209
where:
bonds (distance) C4'-P energy: -72.574
bonds (distance) P-C4' energy: -60.677
flat angles C4'-P-C4' energy: -43.990
flat angles P-C4'-P energy: -34.381
tors. eta vs tors. theta energy: -31.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 345
Temperature: 0.900000
Total energy: -1379.409644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1379.409644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1379.409644 (E_RNA)
where:
Base-Base interactions energy: -946.731
where: short stacking energy: -404.679
Base-Backbone interact. energy: -1.185
local terms energy: -431.494035
where:
bonds (distance) C4'-P energy: -74.837
bonds (distance) P-C4' energy: -80.610
flat angles C4'-P-C4' energy: -91.904
flat angles P-C4'-P energy: -64.070
tors. eta vs tors. theta energy: -120.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 345
Temperature: 0.950000
Total energy: -1352.109096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1352.109096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1352.109096 (E_RNA)
where:
Base-Base interactions energy: -942.353
where: short stacking energy: -400.192
Base-Backbone interact. energy: -1.261
local terms energy: -408.494515
where:
bonds (distance) C4'-P energy: -71.755
bonds (distance) P-C4' energy: -75.996
flat angles C4'-P-C4' energy: -87.578
flat angles P-C4'-P energy: -55.553
tors. eta vs tors. theta energy: -117.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 345
Temperature: 1.000000
Total energy: -1310.036108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1310.036108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1310.036108 (E_RNA)
where:
Base-Base interactions energy: -927.302
where: short stacking energy: -373.462
Base-Backbone interact. energy: 2.234
local terms energy: -384.967860
where:
bonds (distance) C4'-P energy: -66.061
bonds (distance) P-C4' energy: -72.453
flat angles C4'-P-C4' energy: -86.481
flat angles P-C4'-P energy: -53.125
tors. eta vs tors. theta energy: -106.848
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: 7
=====================================
Write number: 345
Temperature: 1.050000
Total energy: -1217.814719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1217.814719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1217.814719 (E_RNA)
where:
Base-Base interactions energy: -841.491
where: short stacking energy: -354.387
Base-Backbone interact. energy: 1.244
local terms energy: -377.567570
where:
bonds (distance) C4'-P energy: -66.883
bonds (distance) P-C4' energy: -73.832
flat angles C4'-P-C4' energy: -83.497
flat angles P-C4'-P energy: -51.844
tors. eta vs tors. theta energy: -101.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 345
Temperature: 1.100000
Total energy: -1201.124793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1201.124793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1201.124793 (E_RNA)
where:
Base-Base interactions energy: -843.610
where: short stacking energy: -328.767
Base-Backbone interact. energy: -1.648
local terms energy: -355.866618
where:
bonds (distance) C4'-P energy: -73.512
bonds (distance) P-C4' energy: -72.472
flat angles C4'-P-C4' energy: -66.240
flat angles P-C4'-P energy: -57.910
tors. eta vs tors. theta energy: -85.733
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: 9
=====================================
Write number: 345
Temperature: 1.150000
Total energy: -1066.819117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1066.819117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1066.819117 (E_RNA)
where:
Base-Base interactions energy: -745.737
where: short stacking energy: -314.806
Base-Backbone interact. energy: 5.148
local terms energy: -326.229617
where:
bonds (distance) C4'-P energy: -67.099
bonds (distance) P-C4' energy: -60.879
flat angles C4'-P-C4' energy: -63.689
flat angles P-C4'-P energy: -52.028
tors. eta vs tors. theta energy: -82.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 345
Temperature: 1.200000
Total energy: -899.691437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -899.691437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -899.691437 (E_RNA)
where:
Base-Base interactions energy: -604.331
where: short stacking energy: -258.838
Base-Backbone interact. energy: 0.698
local terms energy: -296.058658
where:
bonds (distance) C4'-P energy: -66.055
bonds (distance) P-C4' energy: -68.126
flat angles C4'-P-C4' energy: -57.793
flat angles P-C4'-P energy: -34.385
tors. eta vs tors. theta energy: -69.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 345
Temperature: 1.250000
Total energy: -873.783834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -873.783834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -873.783834 (E_RNA)
where:
Base-Base interactions energy: -601.888
where: short stacking energy: -261.020
Base-Backbone interact. energy: -0.056
local terms energy: -271.840090
where:
bonds (distance) C4'-P energy: -62.124
bonds (distance) P-C4' energy: -55.535
flat angles C4'-P-C4' energy: -55.426
flat angles P-C4'-P energy: -38.234
tors. eta vs tors. theta energy: -60.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 345
Temperature: 1.300000
Total energy: -667.581423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -667.581423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -667.581423 (E_RNA)
where:
Base-Base interactions energy: -394.748
where: short stacking energy: -177.133
Base-Backbone interact. energy: -2.290
local terms energy: -270.544006
where:
bonds (distance) C4'-P energy: -48.337
bonds (distance) P-C4' energy: -77.201
flat angles C4'-P-C4' energy: -71.764
flat angles P-C4'-P energy: -50.163
tors. eta vs tors. theta energy: -23.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 345
Temperature: 1.350000
Total energy: -666.262854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -666.262854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -666.262854 (E_RNA)
where:
Base-Base interactions energy: -407.715
where: short stacking energy: -190.673
Base-Backbone interact. energy: -0.432
local terms energy: -258.115632
where:
bonds (distance) C4'-P energy: -62.147
bonds (distance) P-C4' energy: -68.588
flat angles C4'-P-C4' energy: -63.181
flat angles P-C4'-P energy: -34.692
tors. eta vs tors. theta energy: -29.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 346
Temperature: 0.900000
Total energy: -1373.190435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1373.190435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1373.190435 (E_RNA)
where:
Base-Base interactions energy: -948.202
where: short stacking energy: -405.756
Base-Backbone interact. energy: -1.323
local terms energy: -423.665086
where:
bonds (distance) C4'-P energy: -85.342
bonds (distance) P-C4' energy: -81.863
flat angles C4'-P-C4' energy: -86.093
flat angles P-C4'-P energy: -57.490
tors. eta vs tors. theta energy: -112.876
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 346
Temperature: 0.950000
Total energy: -1361.218719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1361.218719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1361.218719 (E_RNA)
where:
Base-Base interactions energy: -947.317
where: short stacking energy: -396.409
Base-Backbone interact. energy: -1.471
local terms energy: -412.430448
where:
bonds (distance) C4'-P energy: -64.018
bonds (distance) P-C4' energy: -77.974
flat angles C4'-P-C4' energy: -83.747
flat angles P-C4'-P energy: -63.594
tors. eta vs tors. theta energy: -123.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 346
Temperature: 1.000000
Total energy: -1315.480606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1315.480606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1315.480606 (E_RNA)
where:
Base-Base interactions energy: -922.822
where: short stacking energy: -372.689
Base-Backbone interact. energy: -1.916
local terms energy: -390.743138
where:
bonds (distance) C4'-P energy: -67.656
bonds (distance) P-C4' energy: -78.957
flat angles C4'-P-C4' energy: -83.950
flat angles P-C4'-P energy: -54.645
tors. eta vs tors. theta energy: -105.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 346
Temperature: 1.050000
Total energy: -1203.609980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1203.609980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1203.609980 (E_RNA)
where:
Base-Base interactions energy: -846.049
where: short stacking energy: -357.396
Base-Backbone interact. energy: -2.948
local terms energy: -354.613203
where:
bonds (distance) C4'-P energy: -67.875
bonds (distance) P-C4' energy: -63.695
flat angles C4'-P-C4' energy: -76.475
flat angles P-C4'-P energy: -47.363
tors. eta vs tors. theta energy: -99.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 346
Temperature: 1.100000
Total energy: -1229.796610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1229.796610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1229.796610 (E_RNA)
where:
Base-Base interactions energy: -870.058
where: short stacking energy: -339.235
Base-Backbone interact. energy: 1.328
local terms energy: -361.066631
where:
bonds (distance) C4'-P energy: -65.444
bonds (distance) P-C4' energy: -66.191
flat angles C4'-P-C4' energy: -78.685
flat angles P-C4'-P energy: -57.180
tors. eta vs tors. theta energy: -93.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 346
Temperature: 1.150000
Total energy: -1147.067542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1147.067542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1147.067542 (E_RNA)
where:
Base-Base interactions energy: -797.041
where: short stacking energy: -330.647
Base-Backbone interact. energy: 2.775
local terms energy: -352.801534
where:
bonds (distance) C4'-P energy: -68.366
bonds (distance) P-C4' energy: -80.879
flat angles C4'-P-C4' energy: -67.387
flat angles P-C4'-P energy: -53.053
tors. eta vs tors. theta energy: -83.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 346
Temperature: 1.200000
Total energy: -860.877967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -860.877967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -860.877967 (E_RNA)
where:
Base-Base interactions energy: -566.733
where: short stacking energy: -258.591
Base-Backbone interact. energy: -0.650
local terms energy: -293.494863
where:
bonds (distance) C4'-P energy: -67.530
bonds (distance) P-C4' energy: -65.318
flat angles C4'-P-C4' energy: -72.965
flat angles P-C4'-P energy: -40.384
tors. eta vs tors. theta energy: -47.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 346
Temperature: 1.250000
Total energy: -862.202275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -862.202275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -862.202275 (E_RNA)
where:
Base-Base interactions energy: -574.503
where: short stacking energy: -246.340
Base-Backbone interact. energy: 1.064
local terms energy: -288.763753
where:
bonds (distance) C4'-P energy: -52.374
bonds (distance) P-C4' energy: -64.116
flat angles C4'-P-C4' energy: -64.132
flat angles P-C4'-P energy: -49.498
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: 9, replica: 4
=====================================
Write number: 346
Temperature: 1.300000
Total energy: -724.696009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -724.696009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -724.696009 (E_RNA)
where:
Base-Base interactions energy: -461.687
where: short stacking energy: -206.018
Base-Backbone interact. energy: -0.365
local terms energy: -262.643621
where:
bonds (distance) C4'-P energy: -70.036
bonds (distance) P-C4' energy: -64.641
flat angles C4'-P-C4' energy: -52.216
flat angles P-C4'-P energy: -36.994
tors. eta vs tors. theta energy: -38.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 346
Temperature: 1.350000
Total energy: -698.076933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -698.076933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -698.076933 (E_RNA)
where:
Base-Base interactions energy: -427.012
where: short stacking energy: -194.707
Base-Backbone interact. energy: -0.590
local terms energy: -270.475505
where:
bonds (distance) C4'-P energy: -69.759
bonds (distance) P-C4' energy: -70.314
flat angles C4'-P-C4' energy: -56.524
flat angles P-C4'-P energy: -42.531
tors. eta vs tors. theta energy: -31.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 347
Temperature: 0.900000
Total energy: -1365.785419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1365.785419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1365.785419 (E_RNA)
where:
Base-Base interactions energy: -946.277
where: short stacking energy: -403.425
Base-Backbone interact. energy: -1.511
local terms energy: -417.997866
where:
bonds (distance) C4'-P energy: -75.485
bonds (distance) P-C4' energy: -75.669
flat angles C4'-P-C4' energy: -90.109
flat angles P-C4'-P energy: -61.919
tors. eta vs tors. theta energy: -114.817
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: 2, replica: 5
=====================================
Write number: 347
Temperature: 0.950000
Total energy: -1362.828497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1362.828497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1362.828497 (E_RNA)
where:
Base-Base interactions energy: -959.665
where: short stacking energy: -406.020
Base-Backbone interact. energy: 2.736
local terms energy: -405.898887
where:
bonds (distance) C4'-P energy: -70.918
bonds (distance) P-C4' energy: -70.206
flat angles C4'-P-C4' energy: -86.476
flat angles P-C4'-P energy: -60.661
tors. eta vs tors. theta energy: -117.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 347
Temperature: 1.000000
Total energy: -1310.556260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1310.556260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1310.556260 (E_RNA)
where:
Base-Base interactions energy: -915.656
where: short stacking energy: -393.769
Base-Backbone interact. energy: -0.132
local terms energy: -394.768024
where:
bonds (distance) C4'-P energy: -74.031
bonds (distance) P-C4' energy: -69.640
flat angles C4'-P-C4' energy: -86.780
flat angles P-C4'-P energy: -56.799
tors. eta vs tors. theta energy: -107.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 347
Temperature: 1.050000
Total energy: -1262.033490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1262.033490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1262.033490 (E_RNA)
where:
Base-Base interactions energy: -894.106
where: short stacking energy: -356.796
Base-Backbone interact. energy: -2.406
local terms energy: -365.521296
where:
bonds (distance) C4'-P energy: -57.554
bonds (distance) P-C4' energy: -73.290
flat angles C4'-P-C4' energy: -90.122
flat angles P-C4'-P energy: -50.027
tors. eta vs tors. theta energy: -94.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 347
Temperature: 1.100000
Total energy: -1174.919679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1174.919679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1174.919679 (E_RNA)
where:
Base-Base interactions energy: -807.375
where: short stacking energy: -339.891
Base-Backbone interact. energy: 6.155
local terms energy: -373.699621
where:
bonds (distance) C4'-P energy: -78.474
bonds (distance) P-C4' energy: -73.245
flat angles C4'-P-C4' energy: -69.589
flat angles P-C4'-P energy: -54.875
tors. eta vs tors. theta energy: -97.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 347
Temperature: 1.150000
Total energy: -1116.623984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1116.623984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1116.623984 (E_RNA)
where:
Base-Base interactions energy: -784.178
where: short stacking energy: -311.525
Base-Backbone interact. energy: 2.153
local terms energy: -334.599039
where:
bonds (distance) C4'-P energy: -69.078
bonds (distance) P-C4' energy: -57.786
flat angles C4'-P-C4' energy: -72.005
flat angles P-C4'-P energy: -59.432
tors. eta vs tors. theta energy: -76.299
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: 7, replica: 1
=====================================
Write number: 347
Temperature: 1.200000
Total energy: -921.760514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -921.760514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -921.760514 (E_RNA)
where:
Base-Base interactions energy: -609.001
where: short stacking energy: -269.438
Base-Backbone interact. energy: -0.708
local terms energy: -312.051943
where:
bonds (distance) C4'-P energy: -67.076
bonds (distance) P-C4' energy: -50.439
flat angles C4'-P-C4' energy: -74.854
flat angles P-C4'-P energy: -49.463
tors. eta vs tors. theta energy: -70.220
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: 2
=====================================
Write number: 347
Temperature: 1.250000
Total energy: -890.816127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -890.816127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -890.816127 (E_RNA)
where:
Base-Base interactions energy: -598.039
where: short stacking energy: -268.281
Base-Backbone interact. energy: -1.740
local terms energy: -291.037502
where:
bonds (distance) C4'-P energy: -40.485
bonds (distance) P-C4' energy: -62.414
flat angles C4'-P-C4' energy: -68.794
flat angles P-C4'-P energy: -50.682
tors. eta vs tors. theta energy: -68.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 347
Temperature: 1.300000
Total energy: -716.538199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -716.538199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -716.538199 (E_RNA)
where:
Base-Base interactions energy: -446.768
where: short stacking energy: -208.070
Base-Backbone interact. energy: 1.554
local terms energy: -271.324877
where:
bonds (distance) C4'-P energy: -58.312
bonds (distance) P-C4' energy: -62.456
flat angles C4'-P-C4' energy: -67.907
flat angles P-C4'-P energy: -36.918
tors. eta vs tors. theta energy: -45.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 347
Temperature: 1.350000
Total energy: -644.411197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -644.411197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -644.411197 (E_RNA)
where:
Base-Base interactions energy: -398.521
where: short stacking energy: -183.755
Base-Backbone interact. energy: 0.508
local terms energy: -246.398078
where:
bonds (distance) C4'-P energy: -59.081
bonds (distance) P-C4' energy: -60.274
flat angles C4'-P-C4' energy: -66.807
flat angles P-C4'-P energy: -34.345
tors. eta vs tors. theta energy: -25.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 348
Temperature: 0.900000
Total energy: -1401.973443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1401.973443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1401.973443 (E_RNA)
where:
Base-Base interactions energy: -964.592
where: short stacking energy: -424.100
Base-Backbone interact. energy: -1.799
local terms energy: -435.582178
where:
bonds (distance) C4'-P energy: -75.029
bonds (distance) P-C4' energy: -83.517
flat angles C4'-P-C4' energy: -90.408
flat angles P-C4'-P energy: -62.679
tors. eta vs tors. theta energy: -123.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 348
Temperature: 0.950000
Total energy: -1347.286508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1347.286508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1347.286508 (E_RNA)
where:
Base-Base interactions energy: -955.390
where: short stacking energy: -414.216
Base-Backbone interact. energy: 0.126
local terms energy: -392.022559
where:
bonds (distance) C4'-P energy: -72.150
bonds (distance) P-C4' energy: -73.597
flat angles C4'-P-C4' energy: -76.921
flat angles P-C4'-P energy: -52.709
tors. eta vs tors. theta energy: -116.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 348
Temperature: 1.000000
Total energy: -1265.077932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1265.077932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1265.077932 (E_RNA)
where:
Base-Base interactions energy: -861.224
where: short stacking energy: -355.526
Base-Backbone interact. energy: -1.677
local terms energy: -402.187465
where:
bonds (distance) C4'-P energy: -79.142
bonds (distance) P-C4' energy: -88.516
flat angles C4'-P-C4' energy: -89.136
flat angles P-C4'-P energy: -42.219
tors. eta vs tors. theta energy: -103.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.010 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 348
Temperature: 1.050000
Total energy: -1247.805826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1247.805826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1247.805826 (E_RNA)
where:
Base-Base interactions energy: -878.828
where: short stacking energy: -349.371
Base-Backbone interact. energy: -1.521
local terms energy: -367.457247
where:
bonds (distance) C4'-P energy: -69.973
bonds (distance) P-C4' energy: -73.100
flat angles C4'-P-C4' energy: -77.118
flat angles P-C4'-P energy: -51.955
tors. eta vs tors. theta energy: -95.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 348
Temperature: 1.100000
Total energy: -1182.496495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1182.496495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1182.496495 (E_RNA)
where:
Base-Base interactions energy: -825.021
where: short stacking energy: -349.091
Base-Backbone interact. energy: 2.708
local terms energy: -360.241810
where:
bonds (distance) C4'-P energy: -63.379
bonds (distance) P-C4' energy: -70.952
flat angles C4'-P-C4' energy: -75.862
flat angles P-C4'-P energy: -50.840
tors. eta vs tors. theta energy: -99.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.059 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 348
Temperature: 1.150000
Total energy: -1113.305077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1113.305077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1113.305077 (E_RNA)
where:
Base-Base interactions energy: -766.637
where: short stacking energy: -313.573
Base-Backbone interact. energy: -1.657
local terms energy: -345.010895
where:
bonds (distance) C4'-P energy: -59.001
bonds (distance) P-C4' energy: -73.657
flat angles C4'-P-C4' energy: -80.999
flat angles P-C4'-P energy: -46.755
tors. eta vs tors. theta energy: -84.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 348
Temperature: 1.200000
Total energy: -910.468525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -910.468525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -910.468525 (E_RNA)
where:
Base-Base interactions energy: -606.861
where: short stacking energy: -278.209
Base-Backbone interact. energy: -1.788
local terms energy: -301.819381
where:
bonds (distance) C4'-P energy: -51.205
bonds (distance) P-C4' energy: -68.036
flat angles C4'-P-C4' energy: -81.271
flat angles P-C4'-P energy: -29.731
tors. eta vs tors. theta energy: -71.577
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: 8, replica: 2
=====================================
Write number: 348
Temperature: 1.250000
Total energy: -844.883557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -844.883557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -844.883557 (E_RNA)
where:
Base-Base interactions energy: -569.910
where: short stacking energy: -247.167
Base-Backbone interact. energy: -1.669
local terms energy: -273.304798
where:
bonds (distance) C4'-P energy: -52.469
bonds (distance) P-C4' energy: -74.554
flat angles C4'-P-C4' energy: -55.939
flat angles P-C4'-P energy: -41.649
tors. eta vs tors. theta energy: -48.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 348
Temperature: 1.300000
Total energy: -637.101425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -637.101425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -637.101425 (E_RNA)
where:
Base-Base interactions energy: -397.099
where: short stacking energy: -193.210
Base-Backbone interact. energy: -0.788
local terms energy: -239.214400
where:
bonds (distance) C4'-P energy: -52.858
bonds (distance) P-C4' energy: -74.805
flat angles C4'-P-C4' energy: -48.395
flat angles P-C4'-P energy: -25.257
tors. eta vs tors. theta energy: -37.900
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: 4
=====================================
Write number: 348
Temperature: 1.350000
Total energy: -645.870134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -645.870134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -645.870134 (E_RNA)
where:
Base-Base interactions energy: -386.314
where: short stacking energy: -177.251
Base-Backbone interact. energy: 0.023
local terms energy: -259.578809
where:
bonds (distance) C4'-P energy: -61.979
bonds (distance) P-C4' energy: -64.094
flat angles C4'-P-C4' energy: -60.941
flat angles P-C4'-P energy: -44.804
tors. eta vs tors. theta energy: -27.760
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: 5
=====================================
Write number: 349
Temperature: 0.900000
Total energy: -1388.051286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1388.051286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1388.051286 (E_RNA)
where:
Base-Base interactions energy: -964.965
where: short stacking energy: -415.961
Base-Backbone interact. energy: -1.091
local terms energy: -421.995056
where:
bonds (distance) C4'-P energy: -70.531
bonds (distance) P-C4' energy: -80.059
flat angles C4'-P-C4' energy: -91.205
flat angles P-C4'-P energy: -59.310
tors. eta vs tors. theta energy: -120.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 349
Temperature: 0.950000
Total energy: -1329.567073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1329.567073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1329.567073 (E_RNA)
where:
Base-Base interactions energy: -905.624
where: short stacking energy: -396.156
Base-Backbone interact. energy: -0.773
local terms energy: -423.170400
where:
bonds (distance) C4'-P energy: -72.090
bonds (distance) P-C4' energy: -79.234
flat angles C4'-P-C4' energy: -85.327
flat angles P-C4'-P energy: -67.734
tors. eta vs tors. theta energy: -118.786
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: 3, replica: 3
=====================================
Write number: 349
Temperature: 1.000000
Total energy: -1311.260452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1311.260452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1311.260452 (E_RNA)
where:
Base-Base interactions energy: -914.707
where: short stacking energy: -385.868
Base-Backbone interact. energy: -1.549
local terms energy: -395.003955
where:
bonds (distance) C4'-P energy: -69.495
bonds (distance) P-C4' energy: -75.939
flat angles C4'-P-C4' energy: -84.651
flat angles P-C4'-P energy: -51.419
tors. eta vs tors. theta energy: -113.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 349
Temperature: 1.050000
Total energy: -1243.192054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1243.192054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1243.192054 (E_RNA)
where:
Base-Base interactions energy: -884.837
where: short stacking energy: -356.781
Base-Backbone interact. energy: 2.484
local terms energy: -360.839117
where:
bonds (distance) C4'-P energy: -65.996
bonds (distance) P-C4' energy: -78.256
flat angles C4'-P-C4' energy: -77.858
flat angles P-C4'-P energy: -48.081
tors. eta vs tors. theta energy: -90.648
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: 7
=====================================
Write number: 349
Temperature: 1.100000
Total energy: -1210.274408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1210.274408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1210.274408 (E_RNA)
where:
Base-Base interactions energy: -823.346
where: short stacking energy: -335.676
Base-Backbone interact. energy: -2.182
local terms energy: -384.746722
where:
bonds (distance) C4'-P energy: -78.154
bonds (distance) P-C4' energy: -77.511
flat angles C4'-P-C4' energy: -77.982
flat angles P-C4'-P energy: -51.347
tors. eta vs tors. theta energy: -99.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 349
Temperature: 1.150000
Total energy: -1145.468723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1145.468723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1145.468723 (E_RNA)
where:
Base-Base interactions energy: -793.113
where: short stacking energy: -320.141
Base-Backbone interact. energy: -1.461
local terms energy: -350.893751
where:
bonds (distance) C4'-P energy: -68.608
bonds (distance) P-C4' energy: -77.252
flat angles C4'-P-C4' energy: -67.545
flat angles P-C4'-P energy: -52.884
tors. eta vs tors. theta energy: -84.603
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: 7, replica: 1
=====================================
Write number: 349
Temperature: 1.200000
Total energy: -913.518207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -913.518207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -913.518207 (E_RNA)
where:
Base-Base interactions energy: -604.086
where: short stacking energy: -267.272
Base-Backbone interact. energy: -1.818
local terms energy: -307.614162
where:
bonds (distance) C4'-P energy: -55.477
bonds (distance) P-C4' energy: -71.991
flat angles C4'-P-C4' energy: -62.805
flat angles P-C4'-P energy: -50.572
tors. eta vs tors. theta energy: -66.770
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: 2
=====================================
Write number: 349
Temperature: 1.250000
Total energy: -868.988602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -868.988602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -868.988602 (E_RNA)
where:
Base-Base interactions energy: -574.346
where: short stacking energy: -244.250
Base-Backbone interact. energy: 1.802
local terms energy: -296.444775
where:
bonds (distance) C4'-P energy: -61.913
bonds (distance) P-C4' energy: -67.079
flat angles C4'-P-C4' energy: -75.081
flat angles P-C4'-P energy: -40.104
tors. eta vs tors. theta energy: -52.266
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: 9, replica: 10
=====================================
Write number: 349
Temperature: 1.300000
Total energy: -623.734012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -623.734012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -623.734012 (E_RNA)
where:
Base-Base interactions energy: -368.945
where: short stacking energy: -179.475
Base-Backbone interact. energy: 0.178
local terms energy: -255.210104
where:
bonds (distance) C4'-P energy: -68.166
bonds (distance) P-C4' energy: -62.897
flat angles C4'-P-C4' energy: -61.654
flat angles P-C4'-P energy: -41.280
tors. eta vs tors. theta energy: -21.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.243 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 349
Temperature: 1.350000
Total energy: -649.805876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -649.805876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -649.805876 (E_RNA)
where:
Base-Base interactions energy: -411.343
where: short stacking energy: -159.151
Base-Backbone interact. energy: 0.497
local terms energy: -238.959570
where:
bonds (distance) C4'-P energy: -53.967
bonds (distance) P-C4' energy: -65.850
flat angles C4'-P-C4' energy: -61.510
flat angles P-C4'-P energy: -35.660
tors. eta vs tors. theta energy: -21.972
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: 1, replica: 5
=====================================
Write number: 350
Temperature: 0.900000
Total energy: -1403.182220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1403.182220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1403.182220 (E_RNA)
where:
Base-Base interactions energy: -996.899
where: short stacking energy: -408.517
Base-Backbone interact. energy: -2.477
local terms energy: -403.805830
where:
bonds (distance) C4'-P energy: -70.600
bonds (distance) P-C4' energy: -69.878
flat angles C4'-P-C4' energy: -87.319
flat angles P-C4'-P energy: -59.052
tors. eta vs tors. theta energy: -116.957
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: 2, replica: 8
=====================================
Write number: 350
Temperature: 0.950000
Total energy: -1339.749941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1339.749941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1339.749941 (E_RNA)
where:
Base-Base interactions energy: -927.939
where: short stacking energy: -407.327
Base-Backbone interact. energy: 1.678
local terms energy: -413.488474
where:
bonds (distance) C4'-P energy: -76.172
bonds (distance) P-C4' energy: -74.095
flat angles C4'-P-C4' energy: -82.537
flat angles P-C4'-P energy: -61.759
tors. eta vs tors. theta energy: -118.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 350
Temperature: 1.000000
Total energy: -1308.230732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1308.230732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1308.230732 (E_RNA)
where:
Base-Base interactions energy: -905.269
where: short stacking energy: -392.288
Base-Backbone interact. energy: -1.102
local terms energy: -401.859526
where:
bonds (distance) C4'-P energy: -82.911
bonds (distance) P-C4' energy: -75.993
flat angles C4'-P-C4' energy: -78.539
flat angles P-C4'-P energy: -57.773
tors. eta vs tors. theta energy: -106.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 350
Temperature: 1.050000
Total energy: -1256.100563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1256.100563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1256.100563 (E_RNA)
where:
Base-Base interactions energy: -896.874
where: short stacking energy: -342.087
Base-Backbone interact. energy: -2.468
local terms energy: -356.757678
where:
bonds (distance) C4'-P energy: -69.957
bonds (distance) P-C4' energy: -68.706
flat angles C4'-P-C4' energy: -76.057
flat angles P-C4'-P energy: -50.641
tors. eta vs tors. theta energy: -91.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 350
Temperature: 1.100000
Total energy: -1186.718385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1186.718385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1186.718385 (E_RNA)
where:
Base-Base interactions energy: -814.385
where: short stacking energy: -353.768
Base-Backbone interact. energy: -2.062
local terms energy: -370.270632
where:
bonds (distance) C4'-P energy: -66.712
bonds (distance) P-C4' energy: -60.492
flat angles C4'-P-C4' energy: -82.586
flat angles P-C4'-P energy: -56.868
tors. eta vs tors. theta energy: -103.612
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: 6, replica: 9
=====================================
Write number: 350
Temperature: 1.150000
Total energy: -1128.399866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1128.399866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1128.399866 (E_RNA)
where:
Base-Base interactions energy: -805.071
where: short stacking energy: -327.477
Base-Backbone interact. energy: -2.703
local terms energy: -320.625673
where:
bonds (distance) C4'-P energy: -42.426
bonds (distance) P-C4' energy: -75.003
flat angles C4'-P-C4' energy: -78.747
flat angles P-C4'-P energy: -43.154
tors. eta vs tors. theta energy: -81.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 350
Temperature: 1.200000
Total energy: -894.544472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -894.544472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -894.544472 (E_RNA)
where:
Base-Base interactions energy: -577.070
where: short stacking energy: -264.136
Base-Backbone interact. energy: -0.602
local terms energy: -316.872277
where:
bonds (distance) C4'-P energy: -77.628
bonds (distance) P-C4' energy: -60.496
flat angles C4'-P-C4' energy: -69.810
flat angles P-C4'-P energy: -44.238
tors. eta vs tors. theta energy: -64.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 350
Temperature: 1.250000
Total energy: -854.074846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -854.074846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -854.074846 (E_RNA)
where:
Base-Base interactions energy: -583.084
where: short stacking energy: -247.043
Base-Backbone interact. energy: 3.485
local terms energy: -274.475523
where:
bonds (distance) C4'-P energy: -64.669
bonds (distance) P-C4' energy: -51.730
flat angles C4'-P-C4' energy: -66.050
flat angles P-C4'-P energy: -33.074
tors. eta vs tors. theta energy: -58.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 350
Temperature: 1.300000
Total energy: -682.124397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -682.124397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -682.124397 (E_RNA)
where:
Base-Base interactions energy: -412.999
where: short stacking energy: -185.380
Base-Backbone interact. energy: -1.233
local terms energy: -267.892141
where:
bonds (distance) C4'-P energy: -66.414
bonds (distance) P-C4' energy: -53.928
flat angles C4'-P-C4' energy: -70.767
flat angles P-C4'-P energy: -40.393
tors. eta vs tors. theta energy: -36.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 350
Temperature: 1.350000
Total energy: -668.278743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -668.278743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -668.278743 (E_RNA)
where:
Base-Base interactions energy: -412.099
where: short stacking energy: -186.507
Base-Backbone interact. energy: -0.699
local terms energy: -255.480281
where:
bonds (distance) C4'-P energy: -56.927
bonds (distance) P-C4' energy: -67.157
flat angles C4'-P-C4' energy: -59.204
flat angles P-C4'-P energy: -37.269
tors. eta vs tors. theta energy: -34.922
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: 1, replica: 5
=====================================
Write number: 351
Temperature: 0.900000
Total energy: -1384.610606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1384.610606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1384.610606 (E_RNA)
where:
Base-Base interactions energy: -976.151
where: short stacking energy: -397.791
Base-Backbone interact. energy: -3.350
local terms energy: -405.110191
where:
bonds (distance) C4'-P energy: -81.747
bonds (distance) P-C4' energy: -76.952
flat angles C4'-P-C4' energy: -79.067
flat angles P-C4'-P energy: -50.560
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: 2, replica: 8
=====================================
Write number: 351
Temperature: 0.950000
Total energy: -1354.337414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1354.337414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1354.337414 (E_RNA)
where:
Base-Base interactions energy: -942.927
where: short stacking energy: -404.365
Base-Backbone interact. energy: -1.274
local terms energy: -410.135767
where:
bonds (distance) C4'-P energy: -68.449
bonds (distance) P-C4' energy: -75.141
flat angles C4'-P-C4' energy: -87.839
flat angles P-C4'-P energy: -55.383
tors. eta vs tors. theta energy: -123.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 351
Temperature: 1.000000
Total energy: -1286.697063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1286.697063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1286.697063 (E_RNA)
where:
Base-Base interactions energy: -880.588
where: short stacking energy: -371.204
Base-Backbone interact. energy: -2.230
local terms energy: -403.878631
where:
bonds (distance) C4'-P energy: -76.057
bonds (distance) P-C4' energy: -76.013
flat angles C4'-P-C4' energy: -90.162
flat angles P-C4'-P energy: -50.833
tors. eta vs tors. theta energy: -110.813
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: 6
=====================================
Write number: 351
Temperature: 1.050000
Total energy: -1273.397728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1273.397728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1273.397728 (E_RNA)
where:
Base-Base interactions energy: -897.169
where: short stacking energy: -354.318
Base-Backbone interact. energy: -0.052
local terms energy: -376.176787
where:
bonds (distance) C4'-P energy: -76.837
bonds (distance) P-C4' energy: -63.473
flat angles C4'-P-C4' energy: -85.389
flat angles P-C4'-P energy: -54.287
tors. eta vs tors. theta energy: -96.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 351
Temperature: 1.100000
Total energy: -1170.673503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1170.673503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1170.673503 (E_RNA)
where:
Base-Base interactions energy: -833.219
where: short stacking energy: -347.082
Base-Backbone interact. energy: -0.251
local terms energy: -337.203381
where:
bonds (distance) C4'-P energy: -56.130
bonds (distance) P-C4' energy: -68.741
flat angles C4'-P-C4' energy: -79.253
flat angles P-C4'-P energy: -39.248
tors. eta vs tors. theta energy: -93.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 351
Temperature: 1.150000
Total energy: -1140.534532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1140.534532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1140.534532 (E_RNA)
where:
Base-Base interactions energy: -786.215
where: short stacking energy: -322.788
Base-Backbone interact. energy: -1.708
local terms energy: -352.611452
where:
bonds (distance) C4'-P energy: -72.572
bonds (distance) P-C4' energy: -69.430
flat angles C4'-P-C4' energy: -77.618
flat angles P-C4'-P energy: -50.073
tors. eta vs tors. theta energy: -82.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 351
Temperature: 1.200000
Total energy: -913.447496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -913.447496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -913.447496 (E_RNA)
where:
Base-Base interactions energy: -604.780
where: short stacking energy: -275.107
Base-Backbone interact. energy: -1.305
local terms energy: -307.362496
where:
bonds (distance) C4'-P energy: -69.237
bonds (distance) P-C4' energy: -57.303
flat angles C4'-P-C4' energy: -70.709
flat angles P-C4'-P energy: -43.728
tors. eta vs tors. theta energy: -66.386
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: 8, replica: 2
=====================================
Write number: 351
Temperature: 1.250000
Total energy: -875.125104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -875.125104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -875.125104 (E_RNA)
where:
Base-Base interactions energy: -587.452
where: short stacking energy: -266.532
Base-Backbone interact. energy: 3.582
local terms energy: -291.254812
where:
bonds (distance) C4'-P energy: -60.437
bonds (distance) P-C4' energy: -79.059
flat angles C4'-P-C4' energy: -59.037
flat angles P-C4'-P energy: -39.751
tors. eta vs tors. theta energy: -52.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 351
Temperature: 1.300000
Total energy: -675.253492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -675.253492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -675.253492 (E_RNA)
where:
Base-Base interactions energy: -446.049
where: short stacking energy: -206.302
Base-Backbone interact. energy: -0.904
local terms energy: -228.301018
where:
bonds (distance) C4'-P energy: -49.087
bonds (distance) P-C4' energy: -54.912
flat angles C4'-P-C4' energy: -54.889
flat angles P-C4'-P energy: -34.049
tors. eta vs tors. theta energy: -35.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 351
Temperature: 1.350000
Total energy: -689.742049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -689.742049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -689.742049 (E_RNA)
where:
Base-Base interactions energy: -449.977
where: short stacking energy: -193.159
Base-Backbone interact. energy: -1.288
local terms energy: -238.476959
where:
bonds (distance) C4'-P energy: -55.883
bonds (distance) P-C4' energy: -57.344
flat angles C4'-P-C4' energy: -56.838
flat angles P-C4'-P energy: -38.453
tors. eta vs tors. theta energy: -29.959
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: 1, replica: 5
=====================================
Write number: 352
Temperature: 0.900000
Total energy: -1390.346607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1390.346607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1390.346607 (E_RNA)
where:
Base-Base interactions energy: -969.530
where: short stacking energy: -416.217
Base-Backbone interact. energy: -0.776
local terms energy: -420.040103
where:
bonds (distance) C4'-P energy: -69.777
bonds (distance) P-C4' energy: -79.735
flat angles C4'-P-C4' energy: -87.795
flat angles P-C4'-P energy: -61.206
tors. eta vs tors. theta energy: -121.526
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: 2, replica: 8
=====================================
Write number: 352
Temperature: 0.950000
Total energy: -1340.632868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1340.632868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1340.632868 (E_RNA)
where:
Base-Base interactions energy: -931.298
where: short stacking energy: -404.573
Base-Backbone interact. energy: -1.801
local terms energy: -407.533439
where:
bonds (distance) C4'-P energy: -65.634
bonds (distance) P-C4' energy: -80.250
flat angles C4'-P-C4' energy: -78.146
flat angles P-C4'-P energy: -62.971
tors. eta vs tors. theta energy: -120.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 352
Temperature: 1.000000
Total energy: -1268.888524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1268.888524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1268.888524 (E_RNA)
where:
Base-Base interactions energy: -872.319
where: short stacking energy: -371.397
Base-Backbone interact. energy: -3.432
local terms energy: -393.137211
where:
bonds (distance) C4'-P energy: -70.481
bonds (distance) P-C4' energy: -82.549
flat angles C4'-P-C4' energy: -83.887
flat angles P-C4'-P energy: -52.790
tors. eta vs tors. theta energy: -103.429
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: 6
=====================================
Write number: 352
Temperature: 1.050000
Total energy: -1279.760484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1279.760484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1279.760484 (E_RNA)
where:
Base-Base interactions energy: -918.236
where: short stacking energy: -352.496
Base-Backbone interact. energy: 2.911
local terms energy: -364.435433
where:
bonds (distance) C4'-P energy: -64.675
bonds (distance) P-C4' energy: -74.056
flat angles C4'-P-C4' energy: -79.176
flat angles P-C4'-P energy: -54.109
tors. eta vs tors. theta energy: -92.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 352
Temperature: 1.100000
Total energy: -1199.142485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1199.142485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1199.142485 (E_RNA)
where:
Base-Base interactions energy: -825.356
where: short stacking energy: -346.643
Base-Backbone interact. energy: -1.065
local terms energy: -372.722003
where:
bonds (distance) C4'-P energy: -70.906
bonds (distance) P-C4' energy: -71.897
flat angles C4'-P-C4' energy: -83.771
flat angles P-C4'-P energy: -40.041
tors. eta vs tors. theta energy: -106.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 352
Temperature: 1.150000
Total energy: -1114.942385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1114.942385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1114.942385 (E_RNA)
where:
Base-Base interactions energy: -777.607
where: short stacking energy: -321.637
Base-Backbone interact. energy: -2.681
local terms energy: -334.654700
where:
bonds (distance) C4'-P energy: -61.621
bonds (distance) P-C4' energy: -72.448
flat angles C4'-P-C4' energy: -76.752
flat angles P-C4'-P energy: -44.805
tors. eta vs tors. theta energy: -79.029
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: 352
Temperature: 1.200000
Total energy: -897.225470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -897.225470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -897.225470 (E_RNA)
where:
Base-Base interactions energy: -591.960
where: short stacking energy: -265.131
Base-Backbone interact. energy: -3.564
local terms energy: -301.701352
where:
bonds (distance) C4'-P energy: -55.574
bonds (distance) P-C4' energy: -69.921
flat angles C4'-P-C4' energy: -56.583
flat angles P-C4'-P energy: -55.282
tors. eta vs tors. theta energy: -64.341
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: 1
=====================================
Write number: 352
Temperature: 1.250000
Total energy: -862.088917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -862.088917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -862.088917 (E_RNA)
where:
Base-Base interactions energy: -575.010
where: short stacking energy: -239.534
Base-Backbone interact. energy: 1.765
local terms energy: -288.843209
where:
bonds (distance) C4'-P energy: -62.153
bonds (distance) P-C4' energy: -75.628
flat angles C4'-P-C4' energy: -62.900
flat angles P-C4'-P energy: -37.314
tors. eta vs tors. theta energy: -50.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 352
Temperature: 1.300000
Total energy: -675.164205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -675.164205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -675.164205 (E_RNA)
where:
Base-Base interactions energy: -419.533
where: short stacking energy: -176.552
Base-Backbone interact. energy: 1.048
local terms energy: -256.679543
where:
bonds (distance) C4'-P energy: -69.478
bonds (distance) P-C4' energy: -71.261
flat angles C4'-P-C4' energy: -47.759
flat angles P-C4'-P energy: -33.008
tors. eta vs tors. theta energy: -35.174
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: 4
=====================================
Write number: 352
Temperature: 1.350000
Total energy: -620.021727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -620.021727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -620.021727 (E_RNA)
where:
Base-Base interactions energy: -377.657
where: short stacking energy: -189.854
Base-Backbone interact. energy: -1.372
local terms energy: -240.992586
where:
bonds (distance) C4'-P energy: -60.795
bonds (distance) P-C4' energy: -64.348
flat angles C4'-P-C4' energy: -53.678
flat angles P-C4'-P energy: -39.545
tors. eta vs tors. theta energy: -22.627
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: 1, replica: 5
=====================================
Write number: 353
Temperature: 0.900000
Total energy: -1398.625715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1398.625715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1398.625715 (E_RNA)
where:
Base-Base interactions energy: -979.087
where: short stacking energy: -415.542
Base-Backbone interact. energy: 0.394
local terms energy: -419.932487
where:
bonds (distance) C4'-P energy: -69.922
bonds (distance) P-C4' energy: -76.396
flat angles C4'-P-C4' energy: -84.832
flat angles P-C4'-P energy: -70.590
tors. eta vs tors. theta energy: -118.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 353
Temperature: 0.950000
Total energy: -1322.450354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1322.450354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1322.450354 (E_RNA)
where:
Base-Base interactions energy: -933.283
where: short stacking energy: -405.023
Base-Backbone interact. energy: 2.660
local terms energy: -391.826574
where:
bonds (distance) C4'-P energy: -68.209
bonds (distance) P-C4' energy: -64.818
flat angles C4'-P-C4' energy: -86.242
flat angles P-C4'-P energy: -54.507
tors. eta vs tors. theta energy: -118.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 353
Temperature: 1.000000
Total energy: -1279.111412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1279.111412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1279.111412 (E_RNA)
where:
Base-Base interactions energy: -878.951
where: short stacking energy: -372.199
Base-Backbone interact. energy: -1.616
local terms energy: -398.543777
where:
bonds (distance) C4'-P energy: -68.428
bonds (distance) P-C4' energy: -76.341
flat angles C4'-P-C4' energy: -86.571
flat angles P-C4'-P energy: -64.728
tors. eta vs tors. theta energy: -102.476
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: 6
=====================================
Write number: 353
Temperature: 1.050000
Total energy: -1268.731453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1268.731453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1268.731453 (E_RNA)
where:
Base-Base interactions energy: -888.259
where: short stacking energy: -352.114
Base-Backbone interact. energy: -3.686
local terms energy: -376.786229
where:
bonds (distance) C4'-P energy: -67.480
bonds (distance) P-C4' energy: -75.174
flat angles C4'-P-C4' energy: -80.919
flat angles P-C4'-P energy: -49.819
tors. eta vs tors. theta energy: -103.394
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: 5, replica: 7
=====================================
Write number: 353
Temperature: 1.100000
Total energy: -1164.244111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1164.244111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1164.244111 (E_RNA)
where:
Base-Base interactions energy: -783.321
where: short stacking energy: -323.649
Base-Backbone interact. energy: -0.623
local terms energy: -380.300288
where:
bonds (distance) C4'-P energy: -72.638
bonds (distance) P-C4' energy: -80.412
flat angles C4'-P-C4' energy: -84.621
flat angles P-C4'-P energy: -49.933
tors. eta vs tors. theta energy: -92.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 353
Temperature: 1.150000
Total energy: -1114.686380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1114.686380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1114.686380 (E_RNA)
where:
Base-Base interactions energy: -753.726
where: short stacking energy: -305.612
Base-Backbone interact. energy: -2.462
local terms energy: -358.498816
where:
bonds (distance) C4'-P energy: -75.396
bonds (distance) P-C4' energy: -66.741
flat angles C4'-P-C4' energy: -77.959
flat angles P-C4'-P energy: -55.070
tors. eta vs tors. theta energy: -83.334
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: 353
Temperature: 1.200000
Total energy: -913.872071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -913.872071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -913.872071 (E_RNA)
where:
Base-Base interactions energy: -618.499
where: short stacking energy: -268.879
Base-Backbone interact. energy: -1.334
local terms energy: -294.039258
where:
bonds (distance) C4'-P energy: -55.508
bonds (distance) P-C4' energy: -65.429
flat angles C4'-P-C4' energy: -71.012
flat angles P-C4'-P energy: -40.152
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: 1
=====================================
Write number: 353
Temperature: 1.250000
Total energy: -871.184672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -871.184672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -871.184672 (E_RNA)
where:
Base-Base interactions energy: -550.038
where: short stacking energy: -242.974
Base-Backbone interact. energy: 2.375
local terms energy: -323.521780
where:
bonds (distance) C4'-P energy: -69.227
bonds (distance) P-C4' energy: -74.725
flat angles C4'-P-C4' energy: -68.955
flat angles P-C4'-P energy: -47.581
tors. eta vs tors. theta energy: -63.033
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: 10
=====================================
Write number: 353
Temperature: 1.300000
Total energy: -693.681585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -693.681585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -693.681585 (E_RNA)
where:
Base-Base interactions energy: -422.278
where: short stacking energy: -187.754
Base-Backbone interact. energy: -1.373
local terms energy: -270.030022
where:
bonds (distance) C4'-P energy: -56.137
bonds (distance) P-C4' energy: -69.834
flat angles C4'-P-C4' energy: -56.551
flat angles P-C4'-P energy: -54.273
tors. eta vs tors. theta energy: -33.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 353
Temperature: 1.350000
Total energy: -622.793370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -622.793370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -622.793370 (E_RNA)
where:
Base-Base interactions energy: -371.253
where: short stacking energy: -166.878
Base-Backbone interact. energy: -3.686
local terms energy: -247.854606
where:
bonds (distance) C4'-P energy: -64.030
bonds (distance) P-C4' energy: -58.193
flat angles C4'-P-C4' energy: -60.269
flat angles P-C4'-P energy: -40.013
tors. eta vs tors. theta energy: -25.349
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: 5
=====================================
Write number: 354
Temperature: 0.900000
Total energy: -1404.072362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1404.072362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1404.072362 (E_RNA)
where:
Base-Base interactions energy: -972.061
where: short stacking energy: -398.482
Base-Backbone interact. energy: -2.575
local terms energy: -429.436202
where:
bonds (distance) C4'-P energy: -78.339
bonds (distance) P-C4' energy: -80.994
flat angles C4'-P-C4' energy: -86.055
flat angles P-C4'-P energy: -61.140
tors. eta vs tors. theta energy: -122.908
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: 2, replica: 8
=====================================
Write number: 354
Temperature: 0.950000
Total energy: -1354.890220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1354.890220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1354.890220 (E_RNA)
where:
Base-Base interactions energy: -945.419
where: short stacking energy: -390.929
Base-Backbone interact. energy: 10.250
local terms energy: -419.721545
where:
bonds (distance) C4'-P energy: -73.497
bonds (distance) P-C4' energy: -82.460
flat angles C4'-P-C4' energy: -93.055
flat angles P-C4'-P energy: -55.480
tors. eta vs tors. theta energy: -115.229
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: 354
Temperature: 1.000000
Total energy: -1286.043052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1286.043052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1286.043052 (E_RNA)
where:
Base-Base interactions energy: -920.002
where: short stacking energy: -375.458
Base-Backbone interact. energy: -0.968
local terms energy: -365.072737
where:
bonds (distance) C4'-P energy: -70.168
bonds (distance) P-C4' energy: -72.927
flat angles C4'-P-C4' energy: -73.556
flat angles P-C4'-P energy: -50.577
tors. eta vs tors. theta energy: -97.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 354
Temperature: 1.050000
Total energy: -1246.356495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1246.356495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1246.356495 (E_RNA)
where:
Base-Base interactions energy: -899.009
where: short stacking energy: -363.105
Base-Backbone interact. energy: 4.825
local terms energy: -352.172695
where:
bonds (distance) C4'-P energy: -61.755
bonds (distance) P-C4' energy: -64.303
flat angles C4'-P-C4' energy: -85.260
flat angles P-C4'-P energy: -41.518
tors. eta vs tors. theta energy: -99.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 354
Temperature: 1.100000
Total energy: -1165.730804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1165.730804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1165.730804 (E_RNA)
where:
Base-Base interactions energy: -812.641
where: short stacking energy: -316.815
Base-Backbone interact. energy: -2.120
local terms energy: -350.969490
where:
bonds (distance) C4'-P energy: -48.550
bonds (distance) P-C4' energy: -70.938
flat angles C4'-P-C4' energy: -77.202
flat angles P-C4'-P energy: -62.070
tors. eta vs tors. theta energy: -92.209
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: 7
=====================================
Write number: 354
Temperature: 1.150000
Total energy: -1158.979957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1158.979957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1158.979957 (E_RNA)
where:
Base-Base interactions energy: -803.166
where: short stacking energy: -341.255
Base-Backbone interact. energy: -0.954
local terms energy: -354.859812
where:
bonds (distance) C4'-P energy: -52.687
bonds (distance) P-C4' energy: -76.309
flat angles C4'-P-C4' energy: -75.379
flat angles P-C4'-P energy: -50.855
tors. eta vs tors. theta energy: -99.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 354
Temperature: 1.200000
Total energy: -910.349766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -910.349766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -910.349766 (E_RNA)
where:
Base-Base interactions energy: -586.701
where: short stacking energy: -288.446
Base-Backbone interact. energy: 0.692
local terms energy: -324.341056
where:
bonds (distance) C4'-P energy: -61.412
bonds (distance) P-C4' energy: -62.962
flat angles C4'-P-C4' energy: -74.297
flat angles P-C4'-P energy: -57.465
tors. eta vs tors. theta energy: -68.205
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: 2
=====================================
Write number: 354
Temperature: 1.250000
Total energy: -864.356693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -864.356693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -864.356693 (E_RNA)
where:
Base-Base interactions energy: -561.318
where: short stacking energy: -252.487
Base-Backbone interact. energy: -1.233
local terms energy: -301.806532
where:
bonds (distance) C4'-P energy: -63.800
bonds (distance) P-C4' energy: -60.556
flat angles C4'-P-C4' energy: -74.380
flat angles P-C4'-P energy: -44.700
tors. eta vs tors. theta energy: -58.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 354
Temperature: 1.300000
Total energy: -734.783839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -734.783839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -734.783839 (E_RNA)
where:
Base-Base interactions energy: -448.220
where: short stacking energy: -222.577
Base-Backbone interact. energy: -1.036
local terms energy: -285.527061
where:
bonds (distance) C4'-P energy: -56.569
bonds (distance) P-C4' energy: -71.173
flat angles C4'-P-C4' energy: -74.849
flat angles P-C4'-P energy: -37.268
tors. eta vs tors. theta energy: -45.668
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: 4
=====================================
Write number: 354
Temperature: 1.350000
Total energy: -660.463314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -660.463314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -660.463314 (E_RNA)
where:
Base-Base interactions energy: -414.903
where: short stacking energy: -178.070
Base-Backbone interact. energy: 0.052
local terms energy: -245.613221
where:
bonds (distance) C4'-P energy: -62.078
bonds (distance) P-C4' energy: -69.382
flat angles C4'-P-C4' energy: -57.811
flat angles P-C4'-P energy: -30.590
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: 1, replica: 5
=====================================
Write number: 355
Temperature: 0.900000
Total energy: -1421.616811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1421.616811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1421.616811 (E_RNA)
where:
Base-Base interactions energy: -995.386
where: short stacking energy: -406.892
Base-Backbone interact. energy: -2.170
local terms energy: -424.060326
where:
bonds (distance) C4'-P energy: -66.956
bonds (distance) P-C4' energy: -84.846
flat angles C4'-P-C4' energy: -87.958
flat angles P-C4'-P energy: -63.987
tors. eta vs tors. theta energy: -120.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 355
Temperature: 0.950000
Total energy: -1327.544927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1327.544927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1327.544927 (E_RNA)
where:
Base-Base interactions energy: -917.217
where: short stacking energy: -376.600
Base-Backbone interact. energy: -2.018
local terms energy: -410.003741
where:
bonds (distance) C4'-P energy: -81.450
bonds (distance) P-C4' energy: -81.927
flat angles C4'-P-C4' energy: -85.214
flat angles P-C4'-P energy: -54.026
tors. eta vs tors. theta energy: -107.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.694 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 355
Temperature: 1.000000
Total energy: -1323.124266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1323.124266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1323.124266 (E_RNA)
where:
Base-Base interactions energy: -915.875
where: short stacking energy: -376.584
Base-Backbone interact. energy: -2.756
local terms energy: -404.493023
where:
bonds (distance) C4'-P energy: -70.746
bonds (distance) P-C4' energy: -70.360
flat angles C4'-P-C4' energy: -88.684
flat angles P-C4'-P energy: -61.160
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: 4, replica: 6
=====================================
Write number: 355
Temperature: 1.050000
Total energy: -1249.957286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1249.957286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1249.957286 (E_RNA)
where:
Base-Base interactions energy: -889.409
where: short stacking energy: -345.637
Base-Backbone interact. energy: -3.334
local terms energy: -357.214117
where:
bonds (distance) C4'-P energy: -62.086
bonds (distance) P-C4' energy: -63.368
flat angles C4'-P-C4' energy: -86.292
flat angles P-C4'-P energy: -58.314
tors. eta vs tors. theta energy: -87.154
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: 355
Temperature: 1.100000
Total energy: -1190.630234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1190.630234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1190.630234 (E_RNA)
where:
Base-Base interactions energy: -825.701
where: short stacking energy: -347.834
Base-Backbone interact. energy: -1.933
local terms energy: -362.995783
where:
bonds (distance) C4'-P energy: -70.290
bonds (distance) P-C4' energy: -73.645
flat angles C4'-P-C4' energy: -66.239
flat angles P-C4'-P energy: -55.110
tors. eta vs tors. theta energy: -97.712
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: 6, replica: 7
=====================================
Write number: 355
Temperature: 1.150000
Total energy: -1138.872174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1138.872174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1138.872174 (E_RNA)
where:
Base-Base interactions energy: -792.720
where: short stacking energy: -323.638
Base-Backbone interact. energy: -0.462
local terms energy: -345.690342
where:
bonds (distance) C4'-P energy: -69.053
bonds (distance) P-C4' energy: -65.615
flat angles C4'-P-C4' energy: -71.052
flat angles P-C4'-P energy: -45.955
tors. eta vs tors. theta energy: -94.015
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: 1
=====================================
Write number: 355
Temperature: 1.200000
Total energy: -938.877670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -938.877670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -938.877670 (E_RNA)
where:
Base-Base interactions energy: -622.007
where: short stacking energy: -278.628
Base-Backbone interact. energy: -0.977
local terms energy: -317.448455
where:
bonds (distance) C4'-P energy: -65.926
bonds (distance) P-C4' energy: -78.672
flat angles C4'-P-C4' energy: -65.549
flat angles P-C4'-P energy: -42.389
tors. eta vs tors. theta energy: -64.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.555 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 355
Temperature: 1.250000
Total energy: -881.632586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -881.632586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -881.632586 (E_RNA)
where:
Base-Base interactions energy: -587.935
where: short stacking energy: -258.451
Base-Backbone interact. energy: 2.244
local terms energy: -295.942328
where:
bonds (distance) C4'-P energy: -52.804
bonds (distance) P-C4' energy: -76.743
flat angles C4'-P-C4' energy: -61.317
flat angles P-C4'-P energy: -51.909
tors. eta vs tors. theta energy: -53.169
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: 9, replica: 10
=====================================
Write number: 355
Temperature: 1.300000
Total energy: -758.833204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -758.833204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -758.833204 (E_RNA)
where:
Base-Base interactions energy: -485.653
where: short stacking energy: -221.838
Base-Backbone interact. energy: 0.653
local terms energy: -273.833160
where:
bonds (distance) C4'-P energy: -60.210
bonds (distance) P-C4' energy: -64.360
flat angles C4'-P-C4' energy: -62.575
flat angles P-C4'-P energy: -38.992
tors. eta vs tors. theta energy: -47.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 355
Temperature: 1.350000
Total energy: -640.252035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -640.252035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -640.252035 (E_RNA)
where:
Base-Base interactions energy: -422.582
where: short stacking energy: -176.215
Base-Backbone interact. energy: 0.256
local terms energy: -217.925989
where:
bonds (distance) C4'-P energy: -53.381
bonds (distance) P-C4' energy: -67.079
flat angles C4'-P-C4' energy: -42.095
flat angles P-C4'-P energy: -37.145
tors. eta vs tors. theta energy: -18.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 356
Temperature: 0.900000
Total energy: -1398.056453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1398.056453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1398.056453 (E_RNA)
where:
Base-Base interactions energy: -980.291
where: short stacking energy: -408.019
Base-Backbone interact. energy: -2.588
local terms energy: -415.177558
where:
bonds (distance) C4'-P energy: -84.297
bonds (distance) P-C4' energy: -82.925
flat angles C4'-P-C4' energy: -78.173
flat angles P-C4'-P energy: -50.914
tors. eta vs tors. theta energy: -118.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 356
Temperature: 0.950000
Total energy: -1331.418087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1331.418087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1331.418087 (E_RNA)
where:
Base-Base interactions energy: -922.729
where: short stacking energy: -385.873
Base-Backbone interact. energy: -1.212
local terms energy: -407.477269
where:
bonds (distance) C4'-P energy: -67.130
bonds (distance) P-C4' energy: -78.714
flat angles C4'-P-C4' energy: -89.207
flat angles P-C4'-P energy: -54.060
tors. eta vs tors. theta energy: -118.366
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: 3, replica: 8
=====================================
Write number: 356
Temperature: 1.000000
Total energy: -1318.056368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1318.056368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1318.056368 (E_RNA)
where:
Base-Base interactions energy: -898.007
where: short stacking energy: -388.006
Base-Backbone interact. energy: -1.388
local terms energy: -418.660979
where:
bonds (distance) C4'-P energy: -68.614
bonds (distance) P-C4' energy: -89.396
flat angles C4'-P-C4' energy: -84.100
flat angles P-C4'-P energy: -53.006
tors. eta vs tors. theta energy: -123.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 356
Temperature: 1.050000
Total energy: -1272.803355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1272.803355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1272.803355 (E_RNA)
where:
Base-Base interactions energy: -894.855
where: short stacking energy: -336.997
Base-Backbone interact. energy: -3.902
local terms energy: -374.046178
where:
bonds (distance) C4'-P energy: -76.527
bonds (distance) P-C4' energy: -61.741
flat angles C4'-P-C4' energy: -84.496
flat angles P-C4'-P energy: -50.634
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: 356
Temperature: 1.100000
Total energy: -1183.302202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1183.302202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1183.302202 (E_RNA)
where:
Base-Base interactions energy: -816.254
where: short stacking energy: -345.517
Base-Backbone interact. energy: 0.121
local terms energy: -367.169186
where:
bonds (distance) C4'-P energy: -65.938
bonds (distance) P-C4' energy: -77.725
flat angles C4'-P-C4' energy: -76.435
flat angles P-C4'-P energy: -52.696
tors. eta vs tors. theta energy: -94.375
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: 7
=====================================
Write number: 356
Temperature: 1.150000
Total energy: -1088.225922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1088.225922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1088.225922 (E_RNA)
where:
Base-Base interactions energy: -732.566
where: short stacking energy: -316.521
Base-Backbone interact. energy: -0.072
local terms energy: -355.587497
where:
bonds (distance) C4'-P energy: -74.885
bonds (distance) P-C4' energy: -73.429
flat angles C4'-P-C4' energy: -69.844
flat angles P-C4'-P energy: -50.232
tors. eta vs tors. theta energy: -87.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 356
Temperature: 1.200000
Total energy: -931.076438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -931.076438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -931.076438 (E_RNA)
where:
Base-Base interactions energy: -613.840
where: short stacking energy: -266.809
Base-Backbone interact. energy: -1.186
local terms energy: -316.050702
where:
bonds (distance) C4'-P energy: -72.750
bonds (distance) P-C4' energy: -71.026
flat angles C4'-P-C4' energy: -64.868
flat angles P-C4'-P energy: -46.986
tors. eta vs tors. theta energy: -60.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 356
Temperature: 1.250000
Total energy: -882.647889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -882.647889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -882.647889 (E_RNA)
where:
Base-Base interactions energy: -596.481
where: short stacking energy: -273.937
Base-Backbone interact. energy: -1.030
local terms energy: -285.136347
where:
bonds (distance) C4'-P energy: -64.789
bonds (distance) P-C4' energy: -57.992
flat angles C4'-P-C4' energy: -61.632
flat angles P-C4'-P energy: -42.497
tors. eta vs tors. theta energy: -58.227
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: 9, replica: 10
=====================================
Write number: 356
Temperature: 1.300000
Total energy: -746.613906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -746.613906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -746.613906 (E_RNA)
where:
Base-Base interactions energy: -473.685
where: short stacking energy: -211.551
Base-Backbone interact. energy: 2.071
local terms energy: -276.899751
where:
bonds (distance) C4'-P energy: -66.674
bonds (distance) P-C4' energy: -70.336
flat angles C4'-P-C4' energy: -65.723
flat angles P-C4'-P energy: -41.304
tors. eta vs tors. theta energy: -32.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.899 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 356
Temperature: 1.350000
Total energy: -669.536089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -669.536089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -669.536089 (E_RNA)
where:
Base-Base interactions energy: -411.210
where: short stacking energy: -191.853
Base-Backbone interact. energy: -0.567
local terms energy: -257.759341
where:
bonds (distance) C4'-P energy: -67.156
bonds (distance) P-C4' energy: -55.770
flat angles C4'-P-C4' energy: -61.409
flat angles P-C4'-P energy: -33.514
tors. eta vs tors. theta energy: -39.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 357
Temperature: 0.900000
Total energy: -1386.028445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1386.028445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1386.028445 (E_RNA)
where:
Base-Base interactions energy: -970.366
where: short stacking energy: -422.816
Base-Backbone interact. energy: -0.849
local terms energy: -414.813345
where:
bonds (distance) C4'-P energy: -71.490
bonds (distance) P-C4' energy: -80.782
flat angles C4'-P-C4' energy: -87.705
flat angles P-C4'-P energy: -57.418
tors. eta vs tors. theta energy: -117.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 357
Temperature: 0.950000
Total energy: -1342.573375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1342.573375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1342.573375 (E_RNA)
where:
Base-Base interactions energy: -945.056
where: short stacking energy: -409.646
Base-Backbone interact. energy: 2.605
local terms energy: -400.122404
where:
bonds (distance) C4'-P energy: -75.333
bonds (distance) P-C4' energy: -73.995
flat angles C4'-P-C4' energy: -84.372
flat angles P-C4'-P energy: -51.293
tors. eta vs tors. theta energy: -115.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 357
Temperature: 1.000000
Total energy: -1319.770747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1319.770747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1319.770747 (E_RNA)
where:
Base-Base interactions energy: -923.751
where: short stacking energy: -412.537
Base-Backbone interact. energy: -1.685
local terms energy: -394.335060
where:
bonds (distance) C4'-P energy: -67.308
bonds (distance) P-C4' energy: -80.267
flat angles C4'-P-C4' energy: -80.724
flat angles P-C4'-P energy: -48.216
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: 4, replica: 6
=====================================
Write number: 357
Temperature: 1.050000
Total energy: -1267.778029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1267.778029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1267.778029 (E_RNA)
where:
Base-Base interactions energy: -909.415
where: short stacking energy: -353.664
Base-Backbone interact. energy: 5.009
local terms energy: -363.371253
where:
bonds (distance) C4'-P energy: -71.166
bonds (distance) P-C4' energy: -68.533
flat angles C4'-P-C4' energy: -78.335
flat angles P-C4'-P energy: -52.147
tors. eta vs tors. theta energy: -93.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 357
Temperature: 1.100000
Total energy: -1154.126385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1154.126385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1154.126385 (E_RNA)
where:
Base-Base interactions energy: -811.462
where: short stacking energy: -304.900
Base-Backbone interact. energy: 0.490
local terms energy: -343.154351
where:
bonds (distance) C4'-P energy: -71.760
bonds (distance) P-C4' energy: -76.458
flat angles C4'-P-C4' energy: -75.172
flat angles P-C4'-P energy: -44.317
tors. eta vs tors. theta energy: -75.447
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: 7
=====================================
Write number: 357
Temperature: 1.150000
Total energy: -1142.976993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1142.976993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1142.976993 (E_RNA)
where:
Base-Base interactions energy: -772.331
where: short stacking energy: -330.003
Base-Backbone interact. energy: -2.343
local terms energy: -368.302247
where:
bonds (distance) C4'-P energy: -75.873
bonds (distance) P-C4' energy: -70.443
flat angles C4'-P-C4' energy: -84.126
flat angles P-C4'-P energy: -45.080
tors. eta vs tors. theta energy: -92.781
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: 7, replica: 2
=====================================
Write number: 357
Temperature: 1.200000
Total energy: -933.222466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -933.222466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -933.222466 (E_RNA)
where:
Base-Base interactions energy: -605.012
where: short stacking energy: -260.927
Base-Backbone interact. energy: -1.541
local terms energy: -326.669203
where:
bonds (distance) C4'-P energy: -67.829
bonds (distance) P-C4' energy: -75.818
flat angles C4'-P-C4' energy: -75.869
flat angles P-C4'-P energy: -38.614
tors. eta vs tors. theta energy: -68.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 357
Temperature: 1.250000
Total energy: -850.656857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -850.656857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -850.656857 (E_RNA)
where:
Base-Base interactions energy: -550.756
where: short stacking energy: -241.323
Base-Backbone interact. energy: -0.485
local terms energy: -299.416451
where:
bonds (distance) C4'-P energy: -66.503
bonds (distance) P-C4' energy: -74.198
flat angles C4'-P-C4' energy: -64.123
flat angles P-C4'-P energy: -42.962
tors. eta vs tors. theta energy: -51.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 357
Temperature: 1.300000
Total energy: -735.876271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -735.876271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -735.876271 (E_RNA)
where:
Base-Base interactions energy: -462.499
where: short stacking energy: -228.847
Base-Backbone interact. energy: 1.659
local terms energy: -275.036749
where:
bonds (distance) C4'-P energy: -58.079
bonds (distance) P-C4' energy: -52.067
flat angles C4'-P-C4' energy: -76.919
flat angles P-C4'-P energy: -32.702
tors. eta vs tors. theta energy: -55.270
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: 4
=====================================
Write number: 357
Temperature: 1.350000
Total energy: -662.966295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -662.966295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -662.966295 (E_RNA)
where:
Base-Base interactions energy: -411.846
where: short stacking energy: -190.991
Base-Backbone interact. energy: -0.786
local terms energy: -250.333953
where:
bonds (distance) C4'-P energy: -57.660
bonds (distance) P-C4' energy: -69.240
flat angles C4'-P-C4' energy: -72.033
flat angles P-C4'-P energy: -28.428
tors. eta vs tors. theta energy: -22.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 358
Temperature: 0.900000
Total energy: -1412.401945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1412.401945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1412.401945 (E_RNA)
where:
Base-Base interactions energy: -999.045
where: short stacking energy: -417.710
Base-Backbone interact. energy: -3.543
local terms energy: -409.813268
where:
bonds (distance) C4'-P energy: -68.635
bonds (distance) P-C4' energy: -83.291
flat angles C4'-P-C4' energy: -83.971
flat angles P-C4'-P energy: -54.189
tors. eta vs tors. theta energy: -119.728
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: 2, replica: 3
=====================================
Write number: 358
Temperature: 0.950000
Total energy: -1361.785027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1361.785027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1361.785027 (E_RNA)
where:
Base-Base interactions energy: -960.866
where: short stacking energy: -403.205
Base-Backbone interact. energy: -0.522
local terms energy: -400.397125
where:
bonds (distance) C4'-P energy: -69.821
bonds (distance) P-C4' energy: -64.563
flat angles C4'-P-C4' energy: -92.442
flat angles P-C4'-P energy: -54.418
tors. eta vs tors. theta energy: -119.153
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: 8
=====================================
Write number: 358
Temperature: 1.000000
Total energy: -1303.758693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1303.758693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1303.758693 (E_RNA)
where:
Base-Base interactions energy: -907.834
where: short stacking energy: -389.002
Base-Backbone interact. energy: -1.526
local terms energy: -394.398711
where:
bonds (distance) C4'-P energy: -71.412
bonds (distance) P-C4' energy: -73.237
flat angles C4'-P-C4' energy: -77.394
flat angles P-C4'-P energy: -56.016
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: 4, replica: 6
=====================================
Write number: 358
Temperature: 1.050000
Total energy: -1268.796718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1268.796718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1268.796718 (E_RNA)
where:
Base-Base interactions energy: -901.811
where: short stacking energy: -358.243
Base-Backbone interact. energy: -2.950
local terms energy: -364.035478
where:
bonds (distance) C4'-P energy: -64.191
bonds (distance) P-C4' energy: -73.752
flat angles C4'-P-C4' energy: -75.510
flat angles P-C4'-P energy: -46.470
tors. eta vs tors. theta energy: -104.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 358
Temperature: 1.100000
Total energy: -1159.229021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1159.229021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1159.229021 (E_RNA)
where:
Base-Base interactions energy: -811.020
where: short stacking energy: -313.883
Base-Backbone interact. energy: -1.313
local terms energy: -346.895520
where:
bonds (distance) C4'-P energy: -81.132
bonds (distance) P-C4' energy: -73.219
flat angles C4'-P-C4' energy: -69.065
flat angles P-C4'-P energy: -47.328
tors. eta vs tors. theta energy: -76.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 358
Temperature: 1.150000
Total energy: -1118.482308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1118.482308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1118.482308 (E_RNA)
where:
Base-Base interactions energy: -773.560
where: short stacking energy: -339.199
Base-Backbone interact. energy: -2.217
local terms energy: -342.705115
where:
bonds (distance) C4'-P energy: -64.776
bonds (distance) P-C4' energy: -71.306
flat angles C4'-P-C4' energy: -73.182
flat angles P-C4'-P energy: -46.145
tors. eta vs tors. theta energy: -87.297
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: 2
=====================================
Write number: 358
Temperature: 1.200000
Total energy: -924.029268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -924.029268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -924.029268 (E_RNA)
where:
Base-Base interactions energy: -621.359
where: short stacking energy: -275.618
Base-Backbone interact. energy: -2.887
local terms energy: -299.783747
where:
bonds (distance) C4'-P energy: -56.252
bonds (distance) P-C4' energy: -64.186
flat angles C4'-P-C4' energy: -69.813
flat angles P-C4'-P energy: -48.841
tors. eta vs tors. theta energy: -60.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 358
Temperature: 1.250000
Total energy: -829.782363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -829.782363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -829.782363 (E_RNA)
where:
Base-Base interactions energy: -534.681
where: short stacking energy: -244.809
Base-Backbone interact. energy: -2.791
local terms energy: -292.309807
where:
bonds (distance) C4'-P energy: -60.556
bonds (distance) P-C4' energy: -61.089
flat angles C4'-P-C4' energy: -69.724
flat angles P-C4'-P energy: -46.357
tors. eta vs tors. theta energy: -54.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 358
Temperature: 1.300000
Total energy: -753.598210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -753.598210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -753.598210 (E_RNA)
where:
Base-Base interactions energy: -466.970
where: short stacking energy: -206.140
Base-Backbone interact. energy: -0.400
local terms energy: -287.101856
where:
bonds (distance) C4'-P energy: -62.861
bonds (distance) P-C4' energy: -67.040
flat angles C4'-P-C4' energy: -72.310
flat angles P-C4'-P energy: -40.404
tors. eta vs tors. theta energy: -44.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.873 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 358
Temperature: 1.350000
Total energy: -645.474125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -645.474125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -645.474125 (E_RNA)
where:
Base-Base interactions energy: -395.128
where: short stacking energy: -188.243
Base-Backbone interact. energy: -1.267
local terms energy: -249.079491
where:
bonds (distance) C4'-P energy: -63.842
bonds (distance) P-C4' energy: -62.730
flat angles C4'-P-C4' energy: -60.724
flat angles P-C4'-P energy: -38.469
tors. eta vs tors. theta energy: -23.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 359
Temperature: 0.900000
Total energy: -1404.019597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1404.019597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1404.019597 (E_RNA)
where:
Base-Base interactions energy: -975.281
where: short stacking energy: -406.409
Base-Backbone interact. energy: -3.306
local terms energy: -425.432643
where:
bonds (distance) C4'-P energy: -80.094
bonds (distance) P-C4' energy: -77.543
flat angles C4'-P-C4' energy: -80.886
flat angles P-C4'-P energy: -61.693
tors. eta vs tors. theta energy: -125.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 359
Temperature: 0.950000
Total energy: -1352.734487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1352.734487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1352.734487 (E_RNA)
where:
Base-Base interactions energy: -943.847
where: short stacking energy: -397.414
Base-Backbone interact. energy: -4.122
local terms energy: -404.765723
where:
bonds (distance) C4'-P energy: -78.450
bonds (distance) P-C4' energy: -79.244
flat angles C4'-P-C4' energy: -78.896
flat angles P-C4'-P energy: -57.168
tors. eta vs tors. theta energy: -111.007
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: 8
=====================================
Write number: 359
Temperature: 1.000000
Total energy: -1294.378571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1294.378571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1294.378571 (E_RNA)
where:
Base-Base interactions energy: -890.391
where: short stacking energy: -367.915
Base-Backbone interact. energy: 1.254
local terms energy: -405.241562
where:
bonds (distance) C4'-P energy: -73.789
bonds (distance) P-C4' energy: -75.487
flat angles C4'-P-C4' energy: -79.308
flat angles P-C4'-P energy: -56.529
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: 4, replica: 6
=====================================
Write number: 359
Temperature: 1.050000
Total energy: -1261.284462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1261.284462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1261.284462 (E_RNA)
where:
Base-Base interactions energy: -884.253
where: short stacking energy: -345.907
Base-Backbone interact. energy: -0.428
local terms energy: -376.603038
where:
bonds (distance) C4'-P energy: -70.289
bonds (distance) P-C4' energy: -68.388
flat angles C4'-P-C4' energy: -83.544
flat angles P-C4'-P energy: -64.773
tors. eta vs tors. theta energy: -89.609
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: 5, replica: 9
=====================================
Write number: 359
Temperature: 1.100000
Total energy: -1165.879672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1165.879672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1165.879672 (E_RNA)
where:
Base-Base interactions energy: -841.297
where: short stacking energy: -333.148
Base-Backbone interact. energy: -2.111
local terms energy: -322.471358
where:
bonds (distance) C4'-P energy: -68.136
bonds (distance) P-C4' energy: -56.132
flat angles C4'-P-C4' energy: -78.037
flat angles P-C4'-P energy: -40.011
tors. eta vs tors. theta energy: -80.155
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: 7
=====================================
Write number: 359
Temperature: 1.150000
Total energy: -1119.410713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1119.410713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1119.410713 (E_RNA)
where:
Base-Base interactions energy: -767.491
where: short stacking energy: -318.088
Base-Backbone interact. energy: -1.143
local terms energy: -350.777392
where:
bonds (distance) C4'-P energy: -67.679
bonds (distance) P-C4' energy: -66.911
flat angles C4'-P-C4' energy: -79.754
flat angles P-C4'-P energy: -46.264
tors. eta vs tors. theta energy: -90.169
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: 2
=====================================
Write number: 359
Temperature: 1.200000
Total energy: -901.571568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -901.571568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -901.571568 (E_RNA)
where:
Base-Base interactions energy: -595.651
where: short stacking energy: -245.509
Base-Backbone interact. energy: -2.609
local terms energy: -303.311377
where:
bonds (distance) C4'-P energy: -56.514
bonds (distance) P-C4' energy: -79.438
flat angles C4'-P-C4' energy: -61.388
flat angles P-C4'-P energy: -47.262
tors. eta vs tors. theta energy: -58.710
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: 8, replica: 1
=====================================
Write number: 359
Temperature: 1.250000
Total energy: -828.262041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -828.262041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -828.262041 (E_RNA)
where:
Base-Base interactions energy: -564.671
where: short stacking energy: -227.644
Base-Backbone interact. energy: 2.432
local terms energy: -266.022889
where:
bonds (distance) C4'-P energy: -66.465
bonds (distance) P-C4' energy: -75.269
flat angles C4'-P-C4' energy: -47.521
flat angles P-C4'-P energy: -31.878
tors. eta vs tors. theta energy: -44.890
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: 10
=====================================
Write number: 359
Temperature: 1.300000
Total energy: -692.085773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -692.085773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -692.085773 (E_RNA)
where:
Base-Base interactions energy: -452.356
where: short stacking energy: -200.441
Base-Backbone interact. energy: -1.417
local terms energy: -238.312504
where:
bonds (distance) C4'-P energy: -59.766
bonds (distance) P-C4' energy: -49.375
flat angles C4'-P-C4' energy: -59.553
flat angles P-C4'-P energy: -42.107
tors. eta vs tors. theta energy: -27.511
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: 4
=====================================
Write number: 359
Temperature: 1.350000
Total energy: -632.469845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -632.469845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -632.469845 (E_RNA)
where:
Base-Base interactions energy: -413.756
where: short stacking energy: -174.303
Base-Backbone interact. energy: 7.200
local terms energy: -225.913186
where:
bonds (distance) C4'-P energy: -62.188
bonds (distance) P-C4' energy: -53.699
flat angles C4'-P-C4' energy: -56.587
flat angles P-C4'-P energy: -30.916
tors. eta vs tors. theta energy: -22.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 360
Temperature: 0.900000
Total energy: -1395.988171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1395.988171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1395.988171 (E_RNA)
where:
Base-Base interactions energy: -974.450
where: short stacking energy: -412.720
Base-Backbone interact. energy: -2.616
local terms energy: -418.922711
where:
bonds (distance) C4'-P energy: -70.113
bonds (distance) P-C4' energy: -82.620
flat angles C4'-P-C4' energy: -95.121
flat angles P-C4'-P energy: -55.087
tors. eta vs tors. theta energy: -115.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 360
Temperature: 0.950000
Total energy: -1330.600954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1330.600954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1330.600954 (E_RNA)
where:
Base-Base interactions energy: -931.217
where: short stacking energy: -391.585
Base-Backbone interact. energy: -1.129
local terms energy: -398.254860
where:
bonds (distance) C4'-P energy: -65.739
bonds (distance) P-C4' energy: -72.706
flat angles C4'-P-C4' energy: -91.986
flat angles P-C4'-P energy: -57.532
tors. eta vs tors. theta energy: -110.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 360
Temperature: 1.000000
Total energy: -1308.687162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1308.687162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1308.687162 (E_RNA)
where:
Base-Base interactions energy: -913.614
where: short stacking energy: -380.831
Base-Backbone interact. energy: -2.130
local terms energy: -392.943476
where:
bonds (distance) C4'-P energy: -63.821
bonds (distance) P-C4' energy: -74.238
flat angles C4'-P-C4' energy: -88.071
flat angles P-C4'-P energy: -48.915
tors. eta vs tors. theta energy: -117.898
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: 6
=====================================
Write number: 360
Temperature: 1.050000
Total energy: -1245.799120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1245.799120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1245.799120 (E_RNA)
where:
Base-Base interactions energy: -872.612
where: short stacking energy: -352.782
Base-Backbone interact. energy: -2.839
local terms energy: -370.347980
where:
bonds (distance) C4'-P energy: -69.773
bonds (distance) P-C4' energy: -71.849
flat angles C4'-P-C4' energy: -74.043
flat angles P-C4'-P energy: -51.338
tors. eta vs tors. theta energy: -103.344
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: 9
=====================================
Write number: 360
Temperature: 1.100000
Total energy: -1165.720935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1165.720935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1165.720935 (E_RNA)
where:
Base-Base interactions energy: -830.606
where: short stacking energy: -324.402
Base-Backbone interact. energy: -1.177
local terms energy: -333.937978
where:
bonds (distance) C4'-P energy: -61.460
bonds (distance) P-C4' energy: -65.715
flat angles C4'-P-C4' energy: -69.909
flat angles P-C4'-P energy: -50.927
tors. eta vs tors. theta energy: -85.926
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: 7
=====================================
Write number: 360
Temperature: 1.150000
Total energy: -1086.751434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1086.751434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1086.751434 (E_RNA)
where:
Base-Base interactions energy: -755.613
where: short stacking energy: -320.847
Base-Backbone interact. energy: -1.945
local terms energy: -329.193002
where:
bonds (distance) C4'-P energy: -68.810
bonds (distance) P-C4' energy: -59.766
flat angles C4'-P-C4' energy: -72.341
flat angles P-C4'-P energy: -42.709
tors. eta vs tors. theta energy: -85.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 360
Temperature: 1.200000
Total energy: -874.093014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -874.093014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -874.093014 (E_RNA)
where:
Base-Base interactions energy: -571.767
where: short stacking energy: -257.232
Base-Backbone interact. energy: -0.591
local terms energy: -301.734283
where:
bonds (distance) C4'-P energy: -60.503
bonds (distance) P-C4' energy: -63.585
flat angles C4'-P-C4' energy: -68.240
flat angles P-C4'-P energy: -42.629
tors. eta vs tors. theta energy: -66.778
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: 8, replica: 1
=====================================
Write number: 360
Temperature: 1.250000
Total energy: -853.793808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -853.793808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -853.793808 (E_RNA)
where:
Base-Base interactions energy: -562.406
where: short stacking energy: -244.224
Base-Backbone interact. energy: 0.055
local terms energy: -292.248544
where:
bonds (distance) C4'-P energy: -51.869
bonds (distance) P-C4' energy: -68.330
flat angles C4'-P-C4' energy: -61.674
flat angles P-C4'-P energy: -50.976
tors. eta vs tors. theta energy: -59.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.806 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 360
Temperature: 1.300000
Total energy: -710.490329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -710.490329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -710.490329 (E_RNA)
where:
Base-Base interactions energy: -426.204
where: short stacking energy: -199.738
Base-Backbone interact. energy: 3.019
local terms energy: -287.305801
where:
bonds (distance) C4'-P energy: -66.586
bonds (distance) P-C4' energy: -60.031
flat angles C4'-P-C4' energy: -66.442
flat angles P-C4'-P energy: -50.019
tors. eta vs tors. theta energy: -44.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 360
Temperature: 1.350000
Total energy: -649.604128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -649.604128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -649.604128 (E_RNA)
where:
Base-Base interactions energy: -389.798
where: short stacking energy: -166.146
Base-Backbone interact. energy: 2.337
local terms energy: -262.143239
where:
bonds (distance) C4'-P energy: -72.214
bonds (distance) P-C4' energy: -71.728
flat angles C4'-P-C4' energy: -65.344
flat angles P-C4'-P energy: -24.154
tors. eta vs tors. theta energy: -28.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 361
Temperature: 0.900000
Total energy: -1388.546500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1388.546500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1388.546500 (E_RNA)
where:
Base-Base interactions energy: -948.886
where: short stacking energy: -390.765
Base-Backbone interact. energy: -3.162
local terms energy: -436.498154
where:
bonds (distance) C4'-P energy: -73.302
bonds (distance) P-C4' energy: -85.547
flat angles C4'-P-C4' energy: -87.014
flat angles P-C4'-P energy: -68.922
tors. eta vs tors. theta energy: -121.714
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: 8
=====================================
Write number: 361
Temperature: 0.950000
Total energy: -1326.640040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1326.640040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1326.640040 (E_RNA)
where:
Base-Base interactions energy: -907.917
where: short stacking energy: -394.472
Base-Backbone interact. energy: -1.099
local terms energy: -417.623605
where:
bonds (distance) C4'-P energy: -74.689
bonds (distance) P-C4' energy: -74.653
flat angles C4'-P-C4' energy: -94.167
flat angles P-C4'-P energy: -50.999
tors. eta vs tors. theta energy: -123.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 361
Temperature: 1.000000
Total energy: -1297.770432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1297.770432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1297.770432 (E_RNA)
where:
Base-Base interactions energy: -909.101
where: short stacking energy: -385.832
Base-Backbone interact. energy: -0.838
local terms energy: -387.831682
where:
bonds (distance) C4'-P energy: -57.003
bonds (distance) P-C4' energy: -74.690
flat angles C4'-P-C4' energy: -85.271
flat angles P-C4'-P energy: -57.483
tors. eta vs tors. theta energy: -113.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 361
Temperature: 1.050000
Total energy: -1206.614893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1206.614893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1206.614893 (E_RNA)
where:
Base-Base interactions energy: -844.232
where: short stacking energy: -336.928
Base-Backbone interact. energy: -1.818
local terms energy: -360.564702
where:
bonds (distance) C4'-P energy: -75.789
bonds (distance) P-C4' energy: -71.041
flat angles C4'-P-C4' energy: -81.601
flat angles P-C4'-P energy: -38.374
tors. eta vs tors. theta energy: -93.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 361
Temperature: 1.100000
Total energy: -1223.268498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1223.268498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1223.268498 (E_RNA)
where:
Base-Base interactions energy: -845.170
where: short stacking energy: -350.581
Base-Backbone interact. energy: -0.536
local terms energy: -377.562210
where:
bonds (distance) C4'-P energy: -67.723
bonds (distance) P-C4' energy: -74.035
flat angles C4'-P-C4' energy: -80.140
flat angles P-C4'-P energy: -61.549
tors. eta vs tors. theta energy: -94.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 361
Temperature: 1.150000
Total energy: -1110.432207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1110.432207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1110.432207 (E_RNA)
where:
Base-Base interactions energy: -784.712
where: short stacking energy: -334.642
Base-Backbone interact. energy: -2.400
local terms energy: -323.319996
where:
bonds (distance) C4'-P energy: -59.333
bonds (distance) P-C4' energy: -63.937
flat angles C4'-P-C4' energy: -61.799
flat angles P-C4'-P energy: -42.536
tors. eta vs tors. theta energy: -95.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 361
Temperature: 1.200000
Total energy: -900.979807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -900.979807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -900.979807 (E_RNA)
where:
Base-Base interactions energy: -582.049
where: short stacking energy: -252.177
Base-Backbone interact. energy: 0.238
local terms energy: -319.168521
where:
bonds (distance) C4'-P energy: -60.594
bonds (distance) P-C4' energy: -71.050
flat angles C4'-P-C4' energy: -77.643
flat angles P-C4'-P energy: -40.538
tors. eta vs tors. theta energy: -69.344
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: 1
=====================================
Write number: 361
Temperature: 1.250000
Total energy: -877.252160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -877.252160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -877.252160 (E_RNA)
where:
Base-Base interactions energy: -572.839
where: short stacking energy: -276.323
Base-Backbone interact. energy: -2.258
local terms energy: -302.155604
where:
bonds (distance) C4'-P energy: -65.616
bonds (distance) P-C4' energy: -64.061
flat angles C4'-P-C4' energy: -70.870
flat angles P-C4'-P energy: -30.109
tors. eta vs tors. theta energy: -71.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 361
Temperature: 1.300000
Total energy: -675.807769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -675.807769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -675.807769 (E_RNA)
where:
Base-Base interactions energy: -429.055
where: short stacking energy: -194.127
Base-Backbone interact. energy: -1.339
local terms energy: -245.413719
where:
bonds (distance) C4'-P energy: -63.554
bonds (distance) P-C4' energy: -58.680
flat angles C4'-P-C4' energy: -68.356
flat angles P-C4'-P energy: -27.255
tors. eta vs tors. theta energy: -27.569
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: 10
=====================================
Write number: 361
Temperature: 1.350000
Total energy: -664.200592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -664.200592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -664.200592 (E_RNA)
where:
Base-Base interactions energy: -406.490
where: short stacking energy: -187.702
Base-Backbone interact. energy: -0.315
local terms energy: -257.395616
where:
bonds (distance) C4'-P energy: -72.300
bonds (distance) P-C4' energy: -74.089
flat angles C4'-P-C4' energy: -60.149
flat angles P-C4'-P energy: -31.833
tors. eta vs tors. theta energy: -19.025
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: 5
=====================================
Write number: 362
Temperature: 0.900000
Total energy: -1386.844098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1386.844098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1386.844098 (E_RNA)
where:
Base-Base interactions energy: -972.091
where: short stacking energy: -406.857
Base-Backbone interact. energy: -0.887
local terms energy: -413.866130
where:
bonds (distance) C4'-P energy: -68.811
bonds (distance) P-C4' energy: -76.281
flat angles C4'-P-C4' energy: -86.548
flat angles P-C4'-P energy: -65.027
tors. eta vs tors. theta energy: -117.199
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: 2, replica: 8
=====================================
Write number: 362
Temperature: 0.950000
Total energy: -1338.535866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1338.535866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1338.535866 (E_RNA)
where:
Base-Base interactions energy: -920.368
where: short stacking energy: -400.175
Base-Backbone interact. energy: -2.035
local terms energy: -416.132256
where:
bonds (distance) C4'-P energy: -76.963
bonds (distance) P-C4' energy: -75.093
flat angles C4'-P-C4' energy: -83.744
flat angles P-C4'-P energy: -58.581
tors. eta vs tors. theta energy: -121.751
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: 3
=====================================
Write number: 362
Temperature: 1.000000
Total energy: -1318.419323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1318.419323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1318.419323 (E_RNA)
where:
Base-Base interactions energy: -910.300
where: short stacking energy: -373.767
Base-Backbone interact. energy: 0.828
local terms energy: -408.946813
where:
bonds (distance) C4'-P energy: -80.017
bonds (distance) P-C4' energy: -71.438
flat angles C4'-P-C4' energy: -84.103
flat angles P-C4'-P energy: -59.733
tors. eta vs tors. theta energy: -113.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 362
Temperature: 1.050000
Total energy: -1246.008690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1246.008690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1246.008690 (E_RNA)
where:
Base-Base interactions energy: -883.704
where: short stacking energy: -369.277
Base-Backbone interact. energy: -2.945
local terms energy: -359.360207
where:
bonds (distance) C4'-P energy: -58.967
bonds (distance) P-C4' energy: -59.906
flat angles C4'-P-C4' energy: -83.073
flat angles P-C4'-P energy: -62.036
tors. eta vs tors. theta energy: -95.377
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: 6
=====================================
Write number: 362
Temperature: 1.100000
Total energy: -1236.593019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1236.593019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1236.593019 (E_RNA)
where:
Base-Base interactions energy: -879.931
where: short stacking energy: -343.633
Base-Backbone interact. energy: -2.301
local terms energy: -354.360831
where:
bonds (distance) C4'-P energy: -70.217
bonds (distance) P-C4' energy: -72.448
flat angles C4'-P-C4' energy: -67.292
flat angles P-C4'-P energy: -48.929
tors. eta vs tors. theta energy: -95.475
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: 6, replica: 7
=====================================
Write number: 362
Temperature: 1.150000
Total energy: -1095.257703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1095.257703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1095.257703 (E_RNA)
where:
Base-Base interactions energy: -741.877
where: short stacking energy: -299.669
Base-Backbone interact. energy: -1.118
local terms energy: -352.263457
where:
bonds (distance) C4'-P energy: -62.843
bonds (distance) P-C4' energy: -72.755
flat angles C4'-P-C4' energy: -70.513
flat angles P-C4'-P energy: -51.871
tors. eta vs tors. theta energy: -94.282
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: 362
Temperature: 1.200000
Total energy: -877.912592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -877.912592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -877.912592 (E_RNA)
where:
Base-Base interactions energy: -572.366
where: short stacking energy: -255.165
Base-Backbone interact. energy: 2.052
local terms energy: -307.598082
where:
bonds (distance) C4'-P energy: -48.160
bonds (distance) P-C4' energy: -63.509
flat angles C4'-P-C4' energy: -82.250
flat angles P-C4'-P energy: -52.733
tors. eta vs tors. theta energy: -60.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 362
Temperature: 1.250000
Total energy: -893.859302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -893.859302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -893.859302 (E_RNA)
where:
Base-Base interactions energy: -613.018
where: short stacking energy: -270.718
Base-Backbone interact. energy: 1.118
local terms energy: -281.959484
where:
bonds (distance) C4'-P energy: -45.201
bonds (distance) P-C4' energy: -57.784
flat angles C4'-P-C4' energy: -67.962
flat angles P-C4'-P energy: -46.230
tors. eta vs tors. theta energy: -64.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 362
Temperature: 1.300000
Total energy: -723.657627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -723.657627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -723.657627 (E_RNA)
where:
Base-Base interactions energy: -446.318
where: short stacking energy: -207.766
Base-Backbone interact. energy: -0.852
local terms energy: -276.488358
where:
bonds (distance) C4'-P energy: -65.344
bonds (distance) P-C4' energy: -57.590
flat angles C4'-P-C4' energy: -64.487
flat angles P-C4'-P energy: -41.546
tors. eta vs tors. theta energy: -47.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 362
Temperature: 1.350000
Total energy: -657.853419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -657.853419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -657.853419 (E_RNA)
where:
Base-Base interactions energy: -402.389
where: short stacking energy: -188.196
Base-Backbone interact. energy: -0.203
local terms energy: -255.262225
where:
bonds (distance) C4'-P energy: -51.010
bonds (distance) P-C4' energy: -60.912
flat angles C4'-P-C4' energy: -59.888
flat angles P-C4'-P energy: -44.226
tors. eta vs tors. theta energy: -39.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 363
Temperature: 0.900000
Total energy: -1400.421669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1400.421669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1400.421669 (E_RNA)
where:
Base-Base interactions energy: -991.932
where: short stacking energy: -425.040
Base-Backbone interact. energy: 2.705
local terms energy: -411.194628
where:
bonds (distance) C4'-P energy: -83.773
bonds (distance) P-C4' energy: -73.853
flat angles C4'-P-C4' energy: -75.148
flat angles P-C4'-P energy: -55.816
tors. eta vs tors. theta energy: -122.604
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: 8
=====================================
Write number: 363
Temperature: 0.950000
Total energy: -1354.753914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1354.753914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1354.753914 (E_RNA)
where:
Base-Base interactions energy: -935.986
where: short stacking energy: -414.308
Base-Backbone interact. energy: -0.805
local terms energy: -417.963739
where:
bonds (distance) C4'-P energy: -79.350
bonds (distance) P-C4' energy: -70.664
flat angles C4'-P-C4' energy: -89.989
flat angles P-C4'-P energy: -58.917
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: 3
=====================================
Write number: 363
Temperature: 1.000000
Total energy: -1335.824495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1335.824495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1335.824495 (E_RNA)
where:
Base-Base interactions energy: -950.691
where: short stacking energy: -406.818
Base-Backbone interact. energy: -2.214
local terms energy: -382.920147
where:
bonds (distance) C4'-P energy: -66.858
bonds (distance) P-C4' energy: -73.077
flat angles C4'-P-C4' energy: -81.082
flat angles P-C4'-P energy: -52.187
tors. eta vs tors. theta energy: -109.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 363
Temperature: 1.050000
Total energy: -1255.283313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1255.283313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1255.283313 (E_RNA)
where:
Base-Base interactions energy: -893.544
where: short stacking energy: -358.526
Base-Backbone interact. energy: -2.164
local terms energy: -359.575054
where:
bonds (distance) C4'-P energy: -71.127
bonds (distance) P-C4' energy: -74.340
flat angles C4'-P-C4' energy: -79.470
flat angles P-C4'-P energy: -46.409
tors. eta vs tors. theta energy: -88.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 363
Temperature: 1.100000
Total energy: -1219.560842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1219.560842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1219.560842 (E_RNA)
where:
Base-Base interactions energy: -846.778
where: short stacking energy: -346.881
Base-Backbone interact. energy: -1.422
local terms energy: -371.360336
where:
bonds (distance) C4'-P energy: -66.577
bonds (distance) P-C4' energy: -73.164
flat angles C4'-P-C4' energy: -80.292
flat angles P-C4'-P energy: -49.801
tors. eta vs tors. theta energy: -101.525
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: 7
=====================================
Write number: 363
Temperature: 1.150000
Total energy: -1107.997895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1107.997895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1107.997895 (E_RNA)
where:
Base-Base interactions energy: -760.173
where: short stacking energy: -306.851
Base-Backbone interact. energy: 1.687
local terms energy: -349.679082
where:
bonds (distance) C4'-P energy: -64.669
bonds (distance) P-C4' energy: -77.039
flat angles C4'-P-C4' energy: -71.982
flat angles P-C4'-P energy: -43.911
tors. eta vs tors. theta energy: -92.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.167 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 363
Temperature: 1.200000
Total energy: -932.116740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -932.116740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -932.116740 (E_RNA)
where:
Base-Base interactions energy: -610.833
where: short stacking energy: -260.292
Base-Backbone interact. energy: -0.118
local terms energy: -321.166132
where:
bonds (distance) C4'-P energy: -69.947
bonds (distance) P-C4' energy: -59.974
flat angles C4'-P-C4' energy: -79.167
flat angles P-C4'-P energy: -48.385
tors. eta vs tors. theta energy: -63.693
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: 2
=====================================
Write number: 363
Temperature: 1.250000
Total energy: -877.313433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -877.313433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -877.313433 (E_RNA)
where:
Base-Base interactions energy: -578.120
where: short stacking energy: -263.942
Base-Backbone interact. energy: -2.090
local terms energy: -297.103031
where:
bonds (distance) C4'-P energy: -62.790
bonds (distance) P-C4' energy: -60.491
flat angles C4'-P-C4' energy: -75.317
flat angles P-C4'-P energy: -46.618
tors. eta vs tors. theta energy: -51.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 363
Temperature: 1.300000
Total energy: -677.298530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -677.298530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -677.298530 (E_RNA)
where:
Base-Base interactions energy: -424.043
where: short stacking energy: -195.239
Base-Backbone interact. energy: 3.633
local terms energy: -256.888398
where:
bonds (distance) C4'-P energy: -63.163
bonds (distance) P-C4' energy: -62.227
flat angles C4'-P-C4' energy: -64.096
flat angles P-C4'-P energy: -36.762
tors. eta vs tors. theta energy: -30.641
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: 10, replica: 4
=====================================
Write number: 363
Temperature: 1.350000
Total energy: -639.922284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -639.922284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -639.922284 (E_RNA)
where:
Base-Base interactions energy: -394.834
where: short stacking energy: -182.334
Base-Backbone interact. energy: -0.467
local terms energy: -244.621855
where:
bonds (distance) C4'-P energy: -59.492
bonds (distance) P-C4' energy: -54.868
flat angles C4'-P-C4' energy: -59.884
flat angles P-C4'-P energy: -37.603
tors. eta vs tors. theta energy: -32.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 364
Temperature: 0.900000
Total energy: -1397.016369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1397.016369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1397.016369 (E_RNA)
where:
Base-Base interactions energy: -983.748
where: short stacking energy: -414.018
Base-Backbone interact. energy: -2.873
local terms energy: -410.395354
where:
bonds (distance) C4'-P energy: -75.458
bonds (distance) P-C4' energy: -67.741
flat angles C4'-P-C4' energy: -89.182
flat angles P-C4'-P energy: -51.651
tors. eta vs tors. theta energy: -126.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 364
Temperature: 0.950000
Total energy: -1326.729345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1326.729345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1326.729345 (E_RNA)
where:
Base-Base interactions energy: -906.822
where: short stacking energy: -391.105
Base-Backbone interact. energy: -2.112
local terms energy: -417.795086
where:
bonds (distance) C4'-P energy: -78.205
bonds (distance) P-C4' energy: -81.713
flat angles C4'-P-C4' energy: -89.294
flat angles P-C4'-P energy: -54.244
tors. eta vs tors. theta energy: -114.338
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: 364
Temperature: 1.000000
Total energy: -1320.300388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1320.300388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1320.300388 (E_RNA)
where:
Base-Base interactions energy: -931.157
where: short stacking energy: -389.526
Base-Backbone interact. energy: 2.418
local terms energy: -391.561352
where:
bonds (distance) C4'-P energy: -62.130
bonds (distance) P-C4' energy: -71.676
flat angles C4'-P-C4' energy: -84.185
flat angles P-C4'-P energy: -58.867
tors. eta vs tors. theta energy: -114.703
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: 6
=====================================
Write number: 364
Temperature: 1.050000
Total energy: -1256.577744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1256.577744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1256.577744 (E_RNA)
where:
Base-Base interactions energy: -894.291
where: short stacking energy: -358.309
Base-Backbone interact. energy: -1.547
local terms energy: -360.739912
where:
bonds (distance) C4'-P energy: -59.980
bonds (distance) P-C4' energy: -64.161
flat angles C4'-P-C4' energy: -80.364
flat angles P-C4'-P energy: -61.525
tors. eta vs tors. theta energy: -94.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 364
Temperature: 1.100000
Total energy: -1157.704631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1157.704631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1157.704631 (E_RNA)
where:
Base-Base interactions energy: -818.115
where: short stacking energy: -329.928
Base-Backbone interact. energy: -0.804
local terms energy: -338.786171
where:
bonds (distance) C4'-P energy: -49.590
bonds (distance) P-C4' energy: -70.188
flat angles C4'-P-C4' energy: -85.694
flat angles P-C4'-P energy: -51.130
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: 6, replica: 7
=====================================
Write number: 364
Temperature: 1.150000
Total energy: -1101.651764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1101.651764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1101.651764 (E_RNA)
where:
Base-Base interactions energy: -755.713
where: short stacking energy: -322.207
Base-Backbone interact. energy: -2.477
local terms energy: -343.461488
where:
bonds (distance) C4'-P energy: -65.852
bonds (distance) P-C4' energy: -67.650
flat angles C4'-P-C4' energy: -78.993
flat angles P-C4'-P energy: -47.620
tors. eta vs tors. theta energy: -83.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 364
Temperature: 1.200000
Total energy: -887.436318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -887.436318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -887.436318 (E_RNA)
where:
Base-Base interactions energy: -590.083
where: short stacking energy: -236.736
Base-Backbone interact. energy: 0.101
local terms energy: -297.453512
where:
bonds (distance) C4'-P energy: -63.121
bonds (distance) P-C4' energy: -65.183
flat angles C4'-P-C4' energy: -71.753
flat angles P-C4'-P energy: -41.930
tors. eta vs tors. theta energy: -55.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 364
Temperature: 1.250000
Total energy: -886.977824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -886.977824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -886.977824 (E_RNA)
where:
Base-Base interactions energy: -580.338
where: short stacking energy: -256.619
Base-Backbone interact. energy: 0.561
local terms energy: -307.200088
where:
bonds (distance) C4'-P energy: -80.138
bonds (distance) P-C4' energy: -59.168
flat angles C4'-P-C4' energy: -60.326
flat angles P-C4'-P energy: -45.522
tors. eta vs tors. theta energy: -62.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 364
Temperature: 1.300000
Total energy: -690.219616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -690.219616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -690.219616 (E_RNA)
where:
Base-Base interactions energy: -437.413
where: short stacking energy: -204.108
Base-Backbone interact. energy: -2.653
local terms energy: -250.153761
where:
bonds (distance) C4'-P energy: -49.008
bonds (distance) P-C4' energy: -65.539
flat angles C4'-P-C4' energy: -57.973
flat angles P-C4'-P energy: -38.068
tors. eta vs tors. theta energy: -39.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 364
Temperature: 1.350000
Total energy: -625.215832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -625.215832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -625.215832 (E_RNA)
where:
Base-Base interactions energy: -378.836
where: short stacking energy: -160.619
Base-Backbone interact. energy: 3.015
local terms energy: -249.395221
where:
bonds (distance) C4'-P energy: -59.251
bonds (distance) P-C4' energy: -56.490
flat angles C4'-P-C4' energy: -69.148
flat angles P-C4'-P energy: -35.488
tors. eta vs tors. theta energy: -29.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 365
Temperature: 0.900000
Total energy: -1389.710504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1389.710504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1389.710504 (E_RNA)
where:
Base-Base interactions energy: -971.487
where: short stacking energy: -399.545
Base-Backbone interact. energy: -2.541
local terms energy: -415.682555
where:
bonds (distance) C4'-P energy: -75.545
bonds (distance) P-C4' energy: -71.828
flat angles C4'-P-C4' energy: -88.396
flat angles P-C4'-P energy: -60.840
tors. eta vs tors. theta energy: -119.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 365
Temperature: 0.950000
Total energy: -1365.580797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1365.580797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1365.580797 (E_RNA)
where:
Base-Base interactions energy: -937.862
where: short stacking energy: -415.444
Base-Backbone interact. energy: -1.473
local terms energy: -426.245421
where:
bonds (distance) C4'-P energy: -87.417
bonds (distance) P-C4' energy: -74.210
flat angles C4'-P-C4' energy: -80.414
flat angles P-C4'-P energy: -61.426
tors. eta vs tors. theta energy: -122.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 365
Temperature: 1.000000
Total energy: -1311.707982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1311.707982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1311.707982 (E_RNA)
where:
Base-Base interactions energy: -931.040
where: short stacking energy: -391.074
Base-Backbone interact. energy: -0.760
local terms energy: -379.908100
where:
bonds (distance) C4'-P energy: -62.993
bonds (distance) P-C4' energy: -79.203
flat angles C4'-P-C4' energy: -73.190
flat angles P-C4'-P energy: -51.691
tors. eta vs tors. theta energy: -112.832
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: 365
Temperature: 1.050000
Total energy: -1184.637133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1184.637133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1184.637133 (E_RNA)
where:
Base-Base interactions energy: -827.854
where: short stacking energy: -354.624
Base-Backbone interact. energy: -2.536
local terms energy: -354.246817
where:
bonds (distance) C4'-P energy: -75.429
bonds (distance) P-C4' energy: -68.301
flat angles C4'-P-C4' energy: -76.558
flat angles P-C4'-P energy: -38.459
tors. eta vs tors. theta energy: -95.500
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: 6
=====================================
Write number: 365
Temperature: 1.100000
Total energy: -1210.413578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1210.413578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1210.413578 (E_RNA)
where:
Base-Base interactions energy: -859.982
where: short stacking energy: -347.505
Base-Backbone interact. energy: -1.643
local terms energy: -348.788458
where:
bonds (distance) C4'-P energy: -70.381
bonds (distance) P-C4' energy: -66.685
flat angles C4'-P-C4' energy: -73.241
flat angles P-C4'-P energy: -44.608
tors. eta vs tors. theta energy: -93.873
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: 7
=====================================
Write number: 365
Temperature: 1.150000
Total energy: -1106.722642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1106.722642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1106.722642 (E_RNA)
where:
Base-Base interactions energy: -765.088
where: short stacking energy: -304.641
Base-Backbone interact. energy: -0.746
local terms energy: -342.452568
where:
bonds (distance) C4'-P energy: -67.769
bonds (distance) P-C4' energy: -81.658
flat angles C4'-P-C4' energy: -68.151
flat angles P-C4'-P energy: -28.915
tors. eta vs tors. theta energy: -95.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.564 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 365
Temperature: 1.200000
Total energy: -864.910438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -864.910438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -864.910438 (E_RNA)
where:
Base-Base interactions energy: -566.288
where: short stacking energy: -238.726
Base-Backbone interact. energy: -0.385
local terms energy: -298.237097
where:
bonds (distance) C4'-P energy: -66.196
bonds (distance) P-C4' energy: -59.295
flat angles C4'-P-C4' energy: -69.784
flat angles P-C4'-P energy: -39.579
tors. eta vs tors. theta energy: -63.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 365
Temperature: 1.250000
Total energy: -848.051302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -848.051302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -848.051302 (E_RNA)
where:
Base-Base interactions energy: -576.542
where: short stacking energy: -224.283
Base-Backbone interact. energy: -1.203
local terms energy: -270.711805
where:
bonds (distance) C4'-P energy: -66.668
bonds (distance) P-C4' energy: -65.725
flat angles C4'-P-C4' energy: -60.455
flat angles P-C4'-P energy: -38.781
tors. eta vs tors. theta energy: -39.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.405 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 365
Temperature: 1.300000
Total energy: -681.140733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -681.140733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -681.140733 (E_RNA)
where:
Base-Base interactions energy: -387.051
where: short stacking energy: -181.555
Base-Backbone interact. energy: -4.888
local terms energy: -289.200856
where:
bonds (distance) C4'-P energy: -67.699
bonds (distance) P-C4' energy: -74.601
flat angles C4'-P-C4' energy: -64.022
flat angles P-C4'-P energy: -45.254
tors. eta vs tors. theta energy: -37.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 365
Temperature: 1.350000
Total energy: -687.804769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -687.804769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -687.804769 (E_RNA)
where:
Base-Base interactions energy: -410.100
where: short stacking energy: -205.593
Base-Backbone interact. energy: 2.892
local terms energy: -280.597402
where:
bonds (distance) C4'-P energy: -66.001
bonds (distance) P-C4' energy: -62.469
flat angles C4'-P-C4' energy: -76.065
flat angles P-C4'-P energy: -34.985
tors. eta vs tors. theta energy: -41.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 366
Temperature: 0.900000
Total energy: -1387.253889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1387.253889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1387.253889 (E_RNA)
where:
Base-Base interactions energy: -973.790
where: short stacking energy: -402.044
Base-Backbone interact. energy: -2.009
local terms energy: -411.454503
where:
bonds (distance) C4'-P energy: -68.350
bonds (distance) P-C4' energy: -73.623
flat angles C4'-P-C4' energy: -88.605
flat angles P-C4'-P energy: -63.107
tors. eta vs tors. theta energy: -117.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 366
Temperature: 0.950000
Total energy: -1328.178840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1328.178840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1328.178840 (E_RNA)
where:
Base-Base interactions energy: -922.030
where: short stacking energy: -408.388
Base-Backbone interact. energy: 3.666
local terms energy: -409.814290
where:
bonds (distance) C4'-P energy: -70.195
bonds (distance) P-C4' energy: -75.708
flat angles C4'-P-C4' energy: -85.666
flat angles P-C4'-P energy: -55.676
tors. eta vs tors. theta energy: -122.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 366
Temperature: 1.000000
Total energy: -1292.095538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1292.095538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1292.095538 (E_RNA)
where:
Base-Base interactions energy: -903.014
where: short stacking energy: -374.076
Base-Backbone interact. energy: -1.866
local terms energy: -387.216185
where:
bonds (distance) C4'-P energy: -75.774
bonds (distance) P-C4' energy: -68.424
flat angles C4'-P-C4' energy: -80.570
flat angles P-C4'-P energy: -51.694
tors. eta vs tors. theta energy: -110.754
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: 366
Temperature: 1.050000
Total energy: -1212.283438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1212.283438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1212.283438 (E_RNA)
where:
Base-Base interactions energy: -853.215
where: short stacking energy: -360.131
Base-Backbone interact. energy: -2.296
local terms energy: -356.772435
where:
bonds (distance) C4'-P energy: -62.116
bonds (distance) P-C4' energy: -61.317
flat angles C4'-P-C4' energy: -80.811
flat angles P-C4'-P energy: -55.004
tors. eta vs tors. theta energy: -97.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 366
Temperature: 1.100000
Total energy: -1228.555601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1228.555601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1228.555601 (E_RNA)
where:
Base-Base interactions energy: -853.620
where: short stacking energy: -332.667
Base-Backbone interact. energy: 2.627
local terms energy: -377.563249
where:
bonds (distance) C4'-P energy: -72.578
bonds (distance) P-C4' energy: -76.081
flat angles C4'-P-C4' energy: -88.200
flat angles P-C4'-P energy: -50.461
tors. eta vs tors. theta energy: -90.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 366
Temperature: 1.150000
Total energy: -1077.231266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1077.231266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1077.231266 (E_RNA)
where:
Base-Base interactions energy: -729.119
where: short stacking energy: -320.500
Base-Backbone interact. energy: -0.631
local terms energy: -347.480786
where:
bonds (distance) C4'-P energy: -58.921
bonds (distance) P-C4' energy: -70.336
flat angles C4'-P-C4' energy: -69.659
flat angles P-C4'-P energy: -51.891
tors. eta vs tors. theta energy: -96.674
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: 1
=====================================
Write number: 366
Temperature: 1.200000
Total energy: -899.218615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -899.218615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -899.218615 (E_RNA)
where:
Base-Base interactions energy: -574.735
where: short stacking energy: -262.671
Base-Backbone interact. energy: -1.671
local terms energy: -322.812896
where:
bonds (distance) C4'-P energy: -60.190
bonds (distance) P-C4' energy: -65.966
flat angles C4'-P-C4' energy: -70.692
flat angles P-C4'-P energy: -55.162
tors. eta vs tors. theta energy: -70.803
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: 2
=====================================
Write number: 366
Temperature: 1.250000
Total energy: -865.358497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -865.358497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -865.358497 (E_RNA)
where:
Base-Base interactions energy: -570.137
where: short stacking energy: -255.594
Base-Backbone interact. energy: -2.202
local terms energy: -293.019223
where:
bonds (distance) C4'-P energy: -61.225
bonds (distance) P-C4' energy: -61.489
flat angles C4'-P-C4' energy: -68.866
flat angles P-C4'-P energy: -33.399
tors. eta vs tors. theta energy: -68.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 366
Temperature: 1.300000
Total energy: -706.095636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -706.095636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -706.095636 (E_RNA)
where:
Base-Base interactions energy: -490.574
where: short stacking energy: -221.943
Base-Backbone interact. energy: 2.128
local terms energy: -217.649165
where:
bonds (distance) C4'-P energy: -56.528
bonds (distance) P-C4' energy: -49.498
flat angles C4'-P-C4' energy: -46.567
flat angles P-C4'-P energy: -35.896
tors. eta vs tors. theta energy: -29.160
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: 4
=====================================
Write number: 366
Temperature: 1.350000
Total energy: -713.797288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -713.797288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -713.797288 (E_RNA)
where:
Base-Base interactions energy: -450.132
where: short stacking energy: -193.987
Base-Backbone interact. energy: 3.497
local terms energy: -267.162227
where:
bonds (distance) C4'-P energy: -63.851
bonds (distance) P-C4' energy: -69.454
flat angles C4'-P-C4' energy: -64.954
flat angles P-C4'-P energy: -37.833
tors. eta vs tors. theta energy: -31.072
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: 5
=====================================
Write number: 367
Temperature: 0.900000
Total energy: -1390.242256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1390.242256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1390.242256 (E_RNA)
where:
Base-Base interactions energy: -974.088
where: short stacking energy: -408.536
Base-Backbone interact. energy: -0.383
local terms energy: -415.770861
where:
bonds (distance) C4'-P energy: -80.615
bonds (distance) P-C4' energy: -66.931
flat angles C4'-P-C4' energy: -90.281
flat angles P-C4'-P energy: -61.530
tors. eta vs tors. theta energy: -116.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 367
Temperature: 0.950000
Total energy: -1320.111789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1320.111789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1320.111789 (E_RNA)
where:
Base-Base interactions energy: -933.683
where: short stacking energy: -406.245
Base-Backbone interact. energy: 4.596
local terms energy: -391.024690
where:
bonds (distance) C4'-P energy: -63.448
bonds (distance) P-C4' energy: -70.488
flat angles C4'-P-C4' energy: -79.437
flat angles P-C4'-P energy: -58.443
tors. eta vs tors. theta energy: -119.208
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: 367
Temperature: 1.000000
Total energy: -1303.609260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1303.609260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1303.609260 (E_RNA)
where:
Base-Base interactions energy: -912.720
where: short stacking energy: -378.944
Base-Backbone interact. energy: -2.078
local terms energy: -388.811987
where:
bonds (distance) C4'-P energy: -64.377
bonds (distance) P-C4' energy: -66.637
flat angles C4'-P-C4' energy: -83.616
flat angles P-C4'-P energy: -58.253
tors. eta vs tors. theta energy: -115.928
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: 6
=====================================
Write number: 367
Temperature: 1.050000
Total energy: -1242.185215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1242.185215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1242.185215 (E_RNA)
where:
Base-Base interactions energy: -866.165
where: short stacking energy: -356.027
Base-Backbone interact. energy: 0.103
local terms energy: -376.123664
where:
bonds (distance) C4'-P energy: -77.430
bonds (distance) P-C4' energy: -72.160
flat angles C4'-P-C4' energy: -77.565
flat angles P-C4'-P energy: -56.394
tors. eta vs tors. theta energy: -92.574
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: 367
Temperature: 1.100000
Total energy: -1206.714431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1206.714431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1206.714431 (E_RNA)
where:
Base-Base interactions energy: -839.011
where: short stacking energy: -347.845
Base-Backbone interact. energy: -2.499
local terms energy: -365.204796
where:
bonds (distance) C4'-P energy: -82.206
bonds (distance) P-C4' energy: -71.183
flat angles C4'-P-C4' energy: -73.236
flat angles P-C4'-P energy: -43.776
tors. eta vs tors. theta energy: -94.804
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: 6, replica: 7
=====================================
Write number: 367
Temperature: 1.150000
Total energy: -1077.446194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1077.446194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1077.446194 (E_RNA)
where:
Base-Base interactions energy: -734.514
where: short stacking energy: -314.124
Base-Backbone interact. energy: 0.369
local terms energy: -343.301844
where:
bonds (distance) C4'-P energy: -60.196
bonds (distance) P-C4' energy: -67.217
flat angles C4'-P-C4' energy: -78.139
flat angles P-C4'-P energy: -53.576
tors. eta vs tors. theta energy: -84.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 367
Temperature: 1.200000
Total energy: -896.662411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -896.662411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -896.662411 (E_RNA)
where:
Base-Base interactions energy: -606.692
where: short stacking energy: -267.458
Base-Backbone interact. energy: 1.565
local terms energy: -291.535662
where:
bonds (distance) C4'-P energy: -58.665
bonds (distance) P-C4' energy: -60.484
flat angles C4'-P-C4' energy: -56.905
flat angles P-C4'-P energy: -44.718
tors. eta vs tors. theta energy: -70.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 367
Temperature: 1.250000
Total energy: -884.793263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -884.793263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -884.793263 (E_RNA)
where:
Base-Base interactions energy: -572.813
where: short stacking energy: -231.214
Base-Backbone interact. energy: -2.211
local terms energy: -309.769318
where:
bonds (distance) C4'-P energy: -62.501
bonds (distance) P-C4' energy: -72.040
flat angles C4'-P-C4' energy: -72.819
flat angles P-C4'-P energy: -47.192
tors. eta vs tors. theta energy: -55.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 367
Temperature: 1.300000
Total energy: -762.141337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -762.141337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -762.141337 (E_RNA)
where:
Base-Base interactions energy: -480.057
where: short stacking energy: -206.002
Base-Backbone interact. energy: 0.632
local terms energy: -282.715599
where:
bonds (distance) C4'-P energy: -67.856
bonds (distance) P-C4' energy: -76.842
flat angles C4'-P-C4' energy: -61.243
flat angles P-C4'-P energy: -28.959
tors. eta vs tors. theta energy: -47.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 367
Temperature: 1.350000
Total energy: -716.609044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -716.609044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -716.609044 (E_RNA)
where:
Base-Base interactions energy: -491.381
where: short stacking energy: -201.173
Base-Backbone interact. energy: -1.450
local terms energy: -223.778047
where:
bonds (distance) C4'-P energy: -57.716
bonds (distance) P-C4' energy: -60.280
flat angles C4'-P-C4' energy: -57.938
flat angles P-C4'-P energy: -22.820
tors. eta vs tors. theta energy: -25.024
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: 1, replica: 5
=====================================
Write number: 368
Temperature: 0.900000
Total energy: -1401.613191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1401.613191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1401.613191 (E_RNA)
where:
Base-Base interactions energy: -988.617
where: short stacking energy: -416.499
Base-Backbone interact. energy: -0.093
local terms energy: -412.903562
where:
bonds (distance) C4'-P energy: -82.332
bonds (distance) P-C4' energy: -73.972
flat angles C4'-P-C4' energy: -86.848
flat angles P-C4'-P energy: -55.603
tors. eta vs tors. theta energy: -114.150
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: 8
=====================================
Write number: 368
Temperature: 0.950000
Total energy: -1330.006828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1330.006828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1330.006828 (E_RNA)
where:
Base-Base interactions energy: -909.803
where: short stacking energy: -380.800
Base-Backbone interact. energy: -0.710
local terms energy: -419.493493
where:
bonds (distance) C4'-P energy: -76.156
bonds (distance) P-C4' energy: -83.055
flat angles C4'-P-C4' energy: -78.299
flat angles P-C4'-P energy: -66.295
tors. eta vs tors. theta energy: -115.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 368
Temperature: 1.000000
Total energy: -1314.935635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1314.935635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1314.935635 (E_RNA)
where:
Base-Base interactions energy: -923.302
where: short stacking energy: -385.986
Base-Backbone interact. energy: -2.685
local terms energy: -388.948853
where:
bonds (distance) C4'-P energy: -75.428
bonds (distance) P-C4' energy: -69.720
flat angles C4'-P-C4' energy: -83.048
flat angles P-C4'-P energy: -44.673
tors. eta vs tors. theta energy: -116.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 368
Temperature: 1.050000
Total energy: -1218.378077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1218.378077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1218.378077 (E_RNA)
where:
Base-Base interactions energy: -860.338
where: short stacking energy: -351.645
Base-Backbone interact. energy: -0.711
local terms energy: -357.329090
where:
bonds (distance) C4'-P energy: -75.797
bonds (distance) P-C4' energy: -67.377
flat angles C4'-P-C4' energy: -76.996
flat angles P-C4'-P energy: -47.216
tors. eta vs tors. theta energy: -89.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 368
Temperature: 1.100000
Total energy: -1209.178300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1209.178300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1209.178300 (E_RNA)
where:
Base-Base interactions energy: -851.507
where: short stacking energy: -342.083
Base-Backbone interact. energy: 2.877
local terms energy: -360.548355
where:
bonds (distance) C4'-P energy: -66.145
bonds (distance) P-C4' energy: -67.790
flat angles C4'-P-C4' energy: -75.515
flat angles P-C4'-P energy: -55.291
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: 6, replica: 7
=====================================
Write number: 368
Temperature: 1.150000
Total energy: -1078.178306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1078.178306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1078.178306 (E_RNA)
where:
Base-Base interactions energy: -739.808
where: short stacking energy: -302.409
Base-Backbone interact. energy: -1.229
local terms energy: -337.140814
where:
bonds (distance) C4'-P energy: -59.058
bonds (distance) P-C4' energy: -76.031
flat angles C4'-P-C4' energy: -69.201
flat angles P-C4'-P energy: -47.901
tors. eta vs tors. theta energy: -84.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 368
Temperature: 1.200000
Total energy: -895.798491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -895.798491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -895.798491 (E_RNA)
where:
Base-Base interactions energy: -594.283
where: short stacking energy: -271.699
Base-Backbone interact. energy: 4.614
local terms energy: -306.129507
where:
bonds (distance) C4'-P energy: -63.332
bonds (distance) P-C4' energy: -66.734
flat angles C4'-P-C4' energy: -66.765
flat angles P-C4'-P energy: -35.863
tors. eta vs tors. theta energy: -73.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 368
Temperature: 1.250000
Total energy: -869.249051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -869.249051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -869.249051 (E_RNA)
where:
Base-Base interactions energy: -572.372
where: short stacking energy: -265.444
Base-Backbone interact. energy: -0.149
local terms energy: -296.727677
where:
bonds (distance) C4'-P energy: -56.014
bonds (distance) P-C4' energy: -69.727
flat angles C4'-P-C4' energy: -65.707
flat angles P-C4'-P energy: -45.320
tors. eta vs tors. theta energy: -59.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 368
Temperature: 1.300000
Total energy: -744.437615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -744.437615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -744.437615 (E_RNA)
where:
Base-Base interactions energy: -469.372
where: short stacking energy: -195.057
Base-Backbone interact. energy: 0.205
local terms energy: -275.270867
where:
bonds (distance) C4'-P energy: -59.184
bonds (distance) P-C4' energy: -74.027
flat angles C4'-P-C4' energy: -71.869
flat angles P-C4'-P energy: -32.387
tors. eta vs tors. theta energy: -37.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 368
Temperature: 1.350000
Total energy: -655.553745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -655.553745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -655.553745 (E_RNA)
where:
Base-Base interactions energy: -411.175
where: short stacking energy: -194.937
Base-Backbone interact. energy: -0.027
local terms energy: -244.351521
where:
bonds (distance) C4'-P energy: -49.427
bonds (distance) P-C4' energy: -66.510
flat angles C4'-P-C4' energy: -64.715
flat angles P-C4'-P energy: -35.861
tors. eta vs tors. theta energy: -27.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 369
Temperature: 0.900000
Total energy: -1398.378566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1398.378566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1398.378566 (E_RNA)
where:
Base-Base interactions energy: -971.799
where: short stacking energy: -406.243
Base-Backbone interact. energy: -2.467
local terms energy: -424.111847
where:
bonds (distance) C4'-P energy: -79.356
bonds (distance) P-C4' energy: -78.561
flat angles C4'-P-C4' energy: -85.901
flat angles P-C4'-P energy: -65.429
tors. eta vs tors. theta energy: -114.864
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: 369
Temperature: 0.950000
Total energy: -1344.304432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1344.304432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1344.304432 (E_RNA)
where:
Base-Base interactions energy: -932.938
where: short stacking energy: -382.652
Base-Backbone interact. energy: -1.205
local terms energy: -410.161468
where:
bonds (distance) C4'-P energy: -70.055
bonds (distance) P-C4' energy: -75.864
flat angles C4'-P-C4' energy: -86.698
flat angles P-C4'-P energy: -58.657
tors. eta vs tors. theta energy: -118.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 369
Temperature: 1.000000
Total energy: -1292.446415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1292.446415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1292.446415 (E_RNA)
where:
Base-Base interactions energy: -917.695
where: short stacking energy: -388.934
Base-Backbone interact. energy: -1.566
local terms energy: -373.185915
where:
bonds (distance) C4'-P energy: -59.754
bonds (distance) P-C4' energy: -72.972
flat angles C4'-P-C4' energy: -82.678
flat angles P-C4'-P energy: -51.132
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: 4, replica: 9
=====================================
Write number: 369
Temperature: 1.050000
Total energy: -1241.941947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1241.941947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1241.941947 (E_RNA)
where:
Base-Base interactions energy: -870.494
where: short stacking energy: -356.283
Base-Backbone interact. energy: -0.967
local terms energy: -370.480265
where:
bonds (distance) C4'-P energy: -72.048
bonds (distance) P-C4' energy: -65.538
flat angles C4'-P-C4' energy: -80.304
flat angles P-C4'-P energy: -57.506
tors. eta vs tors. theta energy: -95.084
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: 6
=====================================
Write number: 369
Temperature: 1.100000
Total energy: -1203.282063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1203.282063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1203.282063 (E_RNA)
where:
Base-Base interactions energy: -858.539
where: short stacking energy: -338.293
Base-Backbone interact. energy: -0.761
local terms energy: -343.982116
where:
bonds (distance) C4'-P energy: -66.807
bonds (distance) P-C4' energy: -61.850
flat angles C4'-P-C4' energy: -76.117
flat angles P-C4'-P energy: -51.416
tors. eta vs tors. theta energy: -87.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 369
Temperature: 1.150000
Total energy: -1065.136475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1065.136475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1065.136475 (E_RNA)
where:
Base-Base interactions energy: -722.613
where: short stacking energy: -302.339
Base-Backbone interact. energy: -0.860
local terms energy: -341.663869
where:
bonds (distance) C4'-P energy: -62.959
bonds (distance) P-C4' energy: -67.823
flat angles C4'-P-C4' energy: -80.501
flat angles P-C4'-P energy: -51.244
tors. eta vs tors. theta energy: -79.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 369
Temperature: 1.200000
Total energy: -897.890055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -897.890055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -897.890055 (E_RNA)
where:
Base-Base interactions energy: -612.612
where: short stacking energy: -263.882
Base-Backbone interact. energy: 2.013
local terms energy: -287.290658
where:
bonds (distance) C4'-P energy: -58.447
bonds (distance) P-C4' energy: -68.247
flat angles C4'-P-C4' energy: -59.386
flat angles P-C4'-P energy: -42.213
tors. eta vs tors. theta energy: -58.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 369
Temperature: 1.250000
Total energy: -849.854735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -849.854735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -849.854735 (E_RNA)
where:
Base-Base interactions energy: -540.115
where: short stacking energy: -232.669
Base-Backbone interact. energy: -2.357
local terms energy: -307.383275
where:
bonds (distance) C4'-P energy: -69.668
bonds (distance) P-C4' energy: -73.478
flat angles C4'-P-C4' energy: -74.231
flat angles P-C4'-P energy: -31.366
tors. eta vs tors. theta energy: -58.640
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: 9, replica: 4
=====================================
Write number: 369
Temperature: 1.300000
Total energy: -755.368297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -755.368297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -755.368297 (E_RNA)
where:
Base-Base interactions energy: -491.513
where: short stacking energy: -227.468
Base-Backbone interact. energy: -0.874
local terms energy: -262.980748
where:
bonds (distance) C4'-P energy: -61.125
bonds (distance) P-C4' energy: -63.041
flat angles C4'-P-C4' energy: -61.095
flat angles P-C4'-P energy: -30.258
tors. eta vs tors. theta energy: -47.462
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: 10
=====================================
Write number: 369
Temperature: 1.350000
Total energy: -715.879201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -715.879201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -715.879201 (E_RNA)
where:
Base-Base interactions energy: -459.371
where: short stacking energy: -191.336
Base-Backbone interact. energy: -0.925
local terms energy: -255.583607
where:
bonds (distance) C4'-P energy: -49.893
bonds (distance) P-C4' energy: -77.933
flat angles C4'-P-C4' energy: -70.678
flat angles P-C4'-P energy: -23.991
tors. eta vs tors. theta energy: -33.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 370
Temperature: 0.900000
Total energy: -1403.657108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1403.657108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1403.657108 (E_RNA)
where:
Base-Base interactions energy: -985.454
where: short stacking energy: -409.138
Base-Backbone interact. energy: -2.755
local terms energy: -415.447754
where:
bonds (distance) C4'-P energy: -69.134
bonds (distance) P-C4' energy: -86.878
flat angles C4'-P-C4' energy: -83.477
flat angles P-C4'-P energy: -60.012
tors. eta vs tors. theta energy: -115.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 370
Temperature: 0.950000
Total energy: -1354.612980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1354.612980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1354.612980 (E_RNA)
where:
Base-Base interactions energy: -943.963
where: short stacking energy: -405.192
Base-Backbone interact. energy: -1.785
local terms energy: -408.864466
where:
bonds (distance) C4'-P energy: -79.467
bonds (distance) P-C4' energy: -82.525
flat angles C4'-P-C4' energy: -71.996
flat angles P-C4'-P energy: -61.780
tors. eta vs tors. theta energy: -113.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 370
Temperature: 1.000000
Total energy: -1293.843720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1293.843720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1293.843720 (E_RNA)
where:
Base-Base interactions energy: -896.049
where: short stacking energy: -399.173
Base-Backbone interact. energy: -2.336
local terms energy: -395.459123
where:
bonds (distance) C4'-P energy: -66.200
bonds (distance) P-C4' energy: -62.673
flat angles C4'-P-C4' energy: -92.285
flat angles P-C4'-P energy: -58.448
tors. eta vs tors. theta energy: -115.852
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: 370
Temperature: 1.050000
Total energy: -1223.686305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1223.686305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1223.686305 (E_RNA)
where:
Base-Base interactions energy: -846.400
where: short stacking energy: -353.522
Base-Backbone interact. energy: -0.689
local terms energy: -376.597339
where:
bonds (distance) C4'-P energy: -61.170
bonds (distance) P-C4' energy: -74.480
flat angles C4'-P-C4' energy: -85.916
flat angles P-C4'-P energy: -53.659
tors. eta vs tors. theta energy: -101.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 370
Temperature: 1.100000
Total energy: -1215.262454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1215.262454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1215.262454 (E_RNA)
where:
Base-Base interactions energy: -857.443
where: short stacking energy: -358.534
Base-Backbone interact. energy: -2.291
local terms energy: -355.528397
where:
bonds (distance) C4'-P energy: -61.996
bonds (distance) P-C4' energy: -68.069
flat angles C4'-P-C4' energy: -72.554
flat angles P-C4'-P energy: -58.610
tors. eta vs tors. theta energy: -94.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 370
Temperature: 1.150000
Total energy: -1092.690652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1092.690652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1092.690652 (E_RNA)
where:
Base-Base interactions energy: -752.879
where: short stacking energy: -299.354
Base-Backbone interact. energy: -1.512
local terms energy: -338.299905
where:
bonds (distance) C4'-P energy: -66.956
bonds (distance) P-C4' energy: -72.115
flat angles C4'-P-C4' energy: -69.082
flat angles P-C4'-P energy: -51.133
tors. eta vs tors. theta energy: -79.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 370
Temperature: 1.200000
Total energy: -888.335863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -888.335863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -888.335863 (E_RNA)
where:
Base-Base interactions energy: -586.985
where: short stacking energy: -255.621
Base-Backbone interact. energy: -0.996
local terms energy: -300.354582
where:
bonds (distance) C4'-P energy: -53.880
bonds (distance) P-C4' energy: -71.000
flat angles C4'-P-C4' energy: -66.753
flat angles P-C4'-P energy: -47.133
tors. eta vs tors. theta energy: -61.588
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: 370
Temperature: 1.250000
Total energy: -884.612589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -884.612589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -884.612589 (E_RNA)
where:
Base-Base interactions energy: -582.414
where: short stacking energy: -273.701
Base-Backbone interact. energy: -2.801
local terms energy: -299.396978
where:
bonds (distance) C4'-P energy: -66.163
bonds (distance) P-C4' energy: -61.697
flat angles C4'-P-C4' energy: -59.079
flat angles P-C4'-P energy: -50.527
tors. eta vs tors. theta energy: -61.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 370
Temperature: 1.300000
Total energy: -774.789456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -774.789456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -774.789456 (E_RNA)
where:
Base-Base interactions energy: -485.265
where: short stacking energy: -218.717
Base-Backbone interact. energy: -1.171
local terms energy: -288.612693
where:
bonds (distance) C4'-P energy: -63.786
bonds (distance) P-C4' energy: -77.779
flat angles C4'-P-C4' energy: -57.329
flat angles P-C4'-P energy: -37.871
tors. eta vs tors. theta energy: -51.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.259 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 370
Temperature: 1.350000
Total energy: -733.218197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -733.218197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -733.218197 (E_RNA)
where:
Base-Base interactions energy: -491.724
where: short stacking energy: -220.551
Base-Backbone interact. energy: -1.046
local terms energy: -240.448602
where:
bonds (distance) C4'-P energy: -62.091
bonds (distance) P-C4' energy: -63.783
flat angles C4'-P-C4' energy: -47.704
flat angles P-C4'-P energy: -28.960
tors. eta vs tors. theta energy: -37.910
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: 5
=====================================
Write number: 371
Temperature: 0.900000
Total energy: -1412.895897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1412.895897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1412.895897 (E_RNA)
where:
Base-Base interactions energy: -994.043
where: short stacking energy: -419.303
Base-Backbone interact. energy: -2.276
local terms energy: -416.577321
where:
bonds (distance) C4'-P energy: -83.331
bonds (distance) P-C4' energy: -69.456
flat angles C4'-P-C4' energy: -87.947
flat angles P-C4'-P energy: -58.080
tors. eta vs tors. theta energy: -117.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 371
Temperature: 0.950000
Total energy: -1320.974368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1320.974368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1320.974368 (E_RNA)
where:
Base-Base interactions energy: -925.340
where: short stacking energy: -378.234
Base-Backbone interact. energy: -2.997
local terms energy: -392.637139
where:
bonds (distance) C4'-P energy: -71.875
bonds (distance) P-C4' energy: -71.601
flat angles C4'-P-C4' energy: -89.258
flat angles P-C4'-P energy: -58.725
tors. eta vs tors. theta energy: -101.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 371
Temperature: 1.000000
Total energy: -1303.745667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1303.745667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1303.745667 (E_RNA)
where:
Base-Base interactions energy: -905.712
where: short stacking energy: -390.243
Base-Backbone interact. energy: -0.188
local terms energy: -397.845413
where:
bonds (distance) C4'-P energy: -56.484
bonds (distance) P-C4' energy: -77.954
flat angles C4'-P-C4' energy: -85.221
flat angles P-C4'-P energy: -53.916
tors. eta vs tors. theta energy: -124.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 371
Temperature: 1.050000
Total energy: -1236.238383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1236.238383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1236.238383 (E_RNA)
where:
Base-Base interactions energy: -851.635
where: short stacking energy: -348.095
Base-Backbone interact. energy: -2.739
local terms energy: -381.863579
where:
bonds (distance) C4'-P energy: -69.753
bonds (distance) P-C4' energy: -75.382
flat angles C4'-P-C4' energy: -80.753
flat angles P-C4'-P energy: -57.189
tors. eta vs tors. theta energy: -98.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 371
Temperature: 1.100000
Total energy: -1186.436917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1186.436917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1186.436917 (E_RNA)
where:
Base-Base interactions energy: -821.812
where: short stacking energy: -344.626
Base-Backbone interact. energy: 2.840
local terms energy: -367.465548
where:
bonds (distance) C4'-P energy: -67.691
bonds (distance) P-C4' energy: -72.516
flat angles C4'-P-C4' energy: -73.667
flat angles P-C4'-P energy: -47.900
tors. eta vs tors. theta energy: -105.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 371
Temperature: 1.150000
Total energy: -1095.422754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1095.422754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1095.422754 (E_RNA)
where:
Base-Base interactions energy: -741.561
where: short stacking energy: -319.188
Base-Backbone interact. energy: -1.265
local terms energy: -352.597008
where:
bonds (distance) C4'-P energy: -68.243
bonds (distance) P-C4' energy: -79.464
flat angles C4'-P-C4' energy: -76.928
flat angles P-C4'-P energy: -45.754
tors. eta vs tors. theta energy: -82.208
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: 7, replica: 1
=====================================
Write number: 371
Temperature: 1.200000
Total energy: -920.399229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -920.399229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -920.399229 (E_RNA)
where:
Base-Base interactions energy: -603.202
where: short stacking energy: -280.150
Base-Backbone interact. energy: 0.676
local terms energy: -317.873052
where:
bonds (distance) C4'-P energy: -64.463
bonds (distance) P-C4' energy: -59.323
flat angles C4'-P-C4' energy: -78.731
flat angles P-C4'-P energy: -39.187
tors. eta vs tors. theta energy: -76.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 371
Temperature: 1.250000
Total energy: -874.315181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -874.315181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -874.315181 (E_RNA)
where:
Base-Base interactions energy: -583.270
where: short stacking energy: -250.873
Base-Backbone interact. energy: -1.340
local terms energy: -289.705711
where:
bonds (distance) C4'-P energy: -67.871
bonds (distance) P-C4' energy: -60.690
flat angles C4'-P-C4' energy: -67.084
flat angles P-C4'-P energy: -43.634
tors. eta vs tors. theta energy: -50.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 371
Temperature: 1.300000
Total energy: -725.561491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -725.561491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -725.561491 (E_RNA)
where:
Base-Base interactions energy: -456.900
where: short stacking energy: -197.494
Base-Backbone interact. energy: 0.233
local terms energy: -268.894511
where:
bonds (distance) C4'-P energy: -56.023
bonds (distance) P-C4' energy: -52.961
flat angles C4'-P-C4' energy: -72.053
flat angles P-C4'-P energy: -47.172
tors. eta vs tors. theta energy: -40.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 371
Temperature: 1.350000
Total energy: -728.068327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -728.068327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -728.068327 (E_RNA)
where:
Base-Base interactions energy: -482.388
where: short stacking energy: -218.272
Base-Backbone interact. energy: 0.457
local terms energy: -246.229075
where:
bonds (distance) C4'-P energy: -51.988
bonds (distance) P-C4' energy: -54.049
flat angles C4'-P-C4' energy: -52.142
flat angles P-C4'-P energy: -43.553
tors. eta vs tors. theta energy: -44.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.092 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 372
Temperature: 0.900000
Total energy: -1399.795553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1399.795553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1399.795553 (E_RNA)
where:
Base-Base interactions energy: -985.391
where: short stacking energy: -416.306
Base-Backbone interact. energy: -2.085
local terms energy: -412.319869
where:
bonds (distance) C4'-P energy: -72.646
bonds (distance) P-C4' energy: -73.252
flat angles C4'-P-C4' energy: -98.729
flat angles P-C4'-P energy: -52.663
tors. eta vs tors. theta energy: -115.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 372
Temperature: 0.950000
Total energy: -1325.844234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1325.844234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1325.844234 (E_RNA)
where:
Base-Base interactions energy: -929.753
where: short stacking energy: -378.638
Base-Backbone interact. energy: -2.498
local terms energy: -393.593175
where:
bonds (distance) C4'-P energy: -70.449
bonds (distance) P-C4' energy: -76.034
flat angles C4'-P-C4' energy: -81.662
flat angles P-C4'-P energy: -54.531
tors. eta vs tors. theta energy: -110.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 372
Temperature: 1.000000
Total energy: -1315.595551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1315.595551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1315.595551 (E_RNA)
where:
Base-Base interactions energy: -911.381
where: short stacking energy: -388.841
Base-Backbone interact. energy: -1.848
local terms energy: -402.367145
where:
bonds (distance) C4'-P energy: -72.893
bonds (distance) P-C4' energy: -77.428
flat angles C4'-P-C4' energy: -79.551
flat angles P-C4'-P energy: -53.775
tors. eta vs tors. theta energy: -118.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 372
Temperature: 1.050000
Total energy: -1252.631740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1252.631740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1252.631740 (E_RNA)
where:
Base-Base interactions energy: -890.683
where: short stacking energy: -367.169
Base-Backbone interact. energy: -4.622
local terms energy: -357.326693
where:
bonds (distance) C4'-P energy: -66.108
bonds (distance) P-C4' energy: -66.779
flat angles C4'-P-C4' energy: -80.738
flat angles P-C4'-P energy: -50.249
tors. eta vs tors. theta energy: -93.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 372
Temperature: 1.100000
Total energy: -1104.757943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1104.757943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1104.757943 (E_RNA)
where:
Base-Base interactions energy: -773.042
where: short stacking energy: -325.877
Base-Backbone interact. energy: 1.098
local terms energy: -332.813549
where:
bonds (distance) C4'-P energy: -70.348
bonds (distance) P-C4' energy: -67.845
flat angles C4'-P-C4' energy: -69.808
flat angles P-C4'-P energy: -40.304
tors. eta vs tors. theta energy: -84.508
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: 9
=====================================
Write number: 372
Temperature: 1.150000
Total energy: -1143.975203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1143.975203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1143.975203 (E_RNA)
where:
Base-Base interactions energy: -792.663
where: short stacking energy: -319.985
Base-Backbone interact. energy: -1.023
local terms energy: -350.288539
where:
bonds (distance) C4'-P energy: -60.416
bonds (distance) P-C4' energy: -71.284
flat angles C4'-P-C4' energy: -76.942
flat angles P-C4'-P energy: -55.611
tors. eta vs tors. theta energy: -86.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 372
Temperature: 1.200000
Total energy: -915.429997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -915.429997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -915.429997 (E_RNA)
where:
Base-Base interactions energy: -627.183
where: short stacking energy: -273.282
Base-Backbone interact. energy: -0.680
local terms energy: -287.567830
where:
bonds (distance) C4'-P energy: -74.260
bonds (distance) P-C4' energy: -64.635
flat angles C4'-P-C4' energy: -60.090
flat angles P-C4'-P energy: -23.971
tors. eta vs tors. theta energy: -64.612
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: 1
=====================================
Write number: 372
Temperature: 1.250000
Total energy: -882.433934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -882.433934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -882.433934 (E_RNA)
where:
Base-Base interactions energy: -579.174
where: short stacking energy: -258.613
Base-Backbone interact. energy: -1.205
local terms energy: -302.054560
where:
bonds (distance) C4'-P energy: -58.883
bonds (distance) P-C4' energy: -76.329
flat angles C4'-P-C4' energy: -61.535
flat angles P-C4'-P energy: -40.698
tors. eta vs tors. theta energy: -64.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 372
Temperature: 1.300000
Total energy: -771.948588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -771.948588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -771.948588 (E_RNA)
where:
Base-Base interactions energy: -487.174
where: short stacking energy: -204.577
Base-Backbone interact. energy: -1.457
local terms energy: -284.877592
where:
bonds (distance) C4'-P energy: -71.433
bonds (distance) P-C4' energy: -74.733
flat angles C4'-P-C4' energy: -60.416
flat angles P-C4'-P energy: -37.127
tors. eta vs tors. theta energy: -41.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.560 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 372
Temperature: 1.350000
Total energy: -710.774096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -710.774096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -710.774096 (E_RNA)
where:
Base-Base interactions energy: -468.583
where: short stacking energy: -227.992
Base-Backbone interact. energy: 2.608
local terms energy: -244.799377
where:
bonds (distance) C4'-P energy: -51.083
bonds (distance) P-C4' energy: -58.961
flat angles C4'-P-C4' energy: -50.637
flat angles P-C4'-P energy: -29.941
tors. eta vs tors. theta energy: -54.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 373
Temperature: 0.900000
Total energy: -1410.907721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1410.907721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1410.907721 (E_RNA)
where:
Base-Base interactions energy: -973.821
where: short stacking energy: -407.333
Base-Backbone interact. energy: -0.414
local terms energy: -436.672453
where:
bonds (distance) C4'-P energy: -79.318
bonds (distance) P-C4' energy: -84.705
flat angles C4'-P-C4' energy: -90.864
flat angles P-C4'-P energy: -65.704
tors. eta vs tors. theta energy: -116.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 373
Temperature: 0.950000
Total energy: -1339.774137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1339.774137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1339.774137 (E_RNA)
where:
Base-Base interactions energy: -925.224
where: short stacking energy: -383.491
Base-Backbone interact. energy: 0.286
local terms energy: -414.835505
where:
bonds (distance) C4'-P energy: -72.826
bonds (distance) P-C4' energy: -83.864
flat angles C4'-P-C4' energy: -82.621
flat angles P-C4'-P energy: -56.559
tors. eta vs tors. theta energy: -118.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 373
Temperature: 1.000000
Total energy: -1270.043723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1270.043723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1270.043723 (E_RNA)
where:
Base-Base interactions energy: -878.525
where: short stacking energy: -375.479
Base-Backbone interact. energy: -4.642
local terms energy: -386.876499
where:
bonds (distance) C4'-P energy: -70.938
bonds (distance) P-C4' energy: -64.398
flat angles C4'-P-C4' energy: -84.848
flat angles P-C4'-P energy: -51.823
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: 4, replica: 6
=====================================
Write number: 373
Temperature: 1.050000
Total energy: -1252.531054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1252.531054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1252.531054 (E_RNA)
where:
Base-Base interactions energy: -880.754
where: short stacking energy: -347.367
Base-Backbone interact. energy: -0.602
local terms energy: -371.174976
where:
bonds (distance) C4'-P energy: -64.218
bonds (distance) P-C4' energy: -77.825
flat angles C4'-P-C4' energy: -86.539
flat angles P-C4'-P energy: -50.860
tors. eta vs tors. theta energy: -91.734
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: 7
=====================================
Write number: 373
Temperature: 1.100000
Total energy: -1107.597104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1107.597104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1107.597104 (E_RNA)
where:
Base-Base interactions energy: -757.893
where: short stacking energy: -325.470
Base-Backbone interact. energy: -0.860
local terms energy: -348.843966
where:
bonds (distance) C4'-P energy: -60.134
bonds (distance) P-C4' energy: -77.906
flat angles C4'-P-C4' energy: -72.630
flat angles P-C4'-P energy: -44.896
tors. eta vs tors. theta energy: -93.278
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: 9
=====================================
Write number: 373
Temperature: 1.150000
Total energy: -1125.145209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1125.145209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1125.145209 (E_RNA)
where:
Base-Base interactions energy: -801.788
where: short stacking energy: -325.992
Base-Backbone interact. energy: -0.695
local terms energy: -322.662109
where:
bonds (distance) C4'-P energy: -67.376
bonds (distance) P-C4' energy: -56.436
flat angles C4'-P-C4' energy: -71.519
flat angles P-C4'-P energy: -40.860
tors. eta vs tors. theta energy: -86.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 373
Temperature: 1.200000
Total energy: -916.163081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -916.163081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -916.163081 (E_RNA)
where:
Base-Base interactions energy: -599.921
where: short stacking energy: -272.254
Base-Backbone interact. energy: 2.629
local terms energy: -318.871209
where:
bonds (distance) C4'-P energy: -61.768
bonds (distance) P-C4' energy: -83.290
flat angles C4'-P-C4' energy: -63.004
flat angles P-C4'-P energy: -43.733
tors. eta vs tors. theta energy: -67.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 373
Temperature: 1.250000
Total energy: -891.045038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -891.045038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -891.045038 (E_RNA)
where:
Base-Base interactions energy: -560.407
where: short stacking energy: -242.805
Base-Backbone interact. energy: -0.121
local terms energy: -330.517083
where:
bonds (distance) C4'-P energy: -70.344
bonds (distance) P-C4' energy: -67.055
flat angles C4'-P-C4' energy: -74.606
flat angles P-C4'-P energy: -52.377
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: 9, replica: 10
=====================================
Write number: 373
Temperature: 1.300000
Total energy: -791.733980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -791.733980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -791.733980 (E_RNA)
where:
Base-Base interactions energy: -502.620
where: short stacking energy: -236.919
Base-Backbone interact. energy: -1.357
local terms energy: -290.055541
where:
bonds (distance) C4'-P energy: -49.271
bonds (distance) P-C4' energy: -67.481
flat angles C4'-P-C4' energy: -67.703
flat angles P-C4'-P energy: -44.974
tors. eta vs tors. theta energy: -60.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 2.298 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 373
Temperature: 1.350000
Total energy: -686.481188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -686.481188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -686.481188 (E_RNA)
where:
Base-Base interactions energy: -446.073
where: short stacking energy: -203.412
Base-Backbone interact. energy: -0.900
local terms energy: -239.508024
where:
bonds (distance) C4'-P energy: -69.249
bonds (distance) P-C4' energy: -54.862
flat angles C4'-P-C4' energy: -62.812
flat angles P-C4'-P energy: -29.107
tors. eta vs tors. theta energy: -23.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 374
Temperature: 0.900000
Total energy: -1381.323753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1381.323753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1381.323753 (E_RNA)
where:
Base-Base interactions energy: -963.449
where: short stacking energy: -396.174
Base-Backbone interact. energy: -2.016
local terms energy: -415.858775
where:
bonds (distance) C4'-P energy: -89.021
bonds (distance) P-C4' energy: -73.520
flat angles C4'-P-C4' energy: -82.708
flat angles P-C4'-P energy: -50.959
tors. eta vs tors. theta energy: -119.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 374
Temperature: 0.950000
Total energy: -1393.524638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1393.524638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1393.524638 (E_RNA)
where:
Base-Base interactions energy: -999.745
where: short stacking energy: -416.353
Base-Backbone interact. energy: -0.578
local terms energy: -393.201465
where:
bonds (distance) C4'-P energy: -67.481
bonds (distance) P-C4' energy: -73.873
flat angles C4'-P-C4' energy: -79.632
flat angles P-C4'-P energy: -48.185
tors. eta vs tors. theta energy: -124.030
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: 8
=====================================
Write number: 374
Temperature: 1.000000
Total energy: -1301.767636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1301.767636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1301.767636 (E_RNA)
where:
Base-Base interactions energy: -903.488
where: short stacking energy: -387.746
Base-Backbone interact. energy: -1.610
local terms energy: -396.669373
where:
bonds (distance) C4'-P energy: -76.138
bonds (distance) P-C4' energy: -70.840
flat angles C4'-P-C4' energy: -77.810
flat angles P-C4'-P energy: -51.980
tors. eta vs tors. theta energy: -119.901
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: 6
=====================================
Write number: 374
Temperature: 1.050000
Total energy: -1243.987830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1243.987830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1243.987830 (E_RNA)
where:
Base-Base interactions energy: -884.090
where: short stacking energy: -345.339
Base-Backbone interact. energy: -0.678
local terms energy: -359.219172
where:
bonds (distance) C4'-P energy: -67.312
bonds (distance) P-C4' energy: -67.192
flat angles C4'-P-C4' energy: -84.588
flat angles P-C4'-P energy: -54.877
tors. eta vs tors. theta energy: -85.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 374
Temperature: 1.100000
Total energy: -1158.924220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1158.924220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1158.924220 (E_RNA)
where:
Base-Base interactions energy: -808.393
where: short stacking energy: -340.764
Base-Backbone interact. energy: -1.042
local terms energy: -349.591891
where:
bonds (distance) C4'-P energy: -69.747
bonds (distance) P-C4' energy: -66.644
flat angles C4'-P-C4' energy: -62.106
flat angles P-C4'-P energy: -47.040
tors. eta vs tors. theta energy: -104.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.103 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 374
Temperature: 1.150000
Total energy: -1103.344203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1103.344203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1103.344203 (E_RNA)
where:
Base-Base interactions energy: -764.382
where: short stacking energy: -315.541
Base-Backbone interact. energy: -2.237
local terms energy: -336.725313
where:
bonds (distance) C4'-P energy: -71.674
bonds (distance) P-C4' energy: -75.735
flat angles C4'-P-C4' energy: -66.322
flat angles P-C4'-P energy: -42.730
tors. eta vs tors. theta energy: -80.264
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: 1
=====================================
Write number: 374
Temperature: 1.200000
Total energy: -924.951462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -924.951462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -924.951462 (E_RNA)
where:
Base-Base interactions energy: -613.753
where: short stacking energy: -279.647
Base-Backbone interact. energy: -1.250
local terms energy: -309.948442
where:
bonds (distance) C4'-P energy: -53.513
bonds (distance) P-C4' energy: -78.810
flat angles C4'-P-C4' energy: -64.113
flat angles P-C4'-P energy: -48.577
tors. eta vs tors. theta energy: -64.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 374
Temperature: 1.250000
Total energy: -900.900370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -900.900370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -900.900370 (E_RNA)
where:
Base-Base interactions energy: -605.594
where: short stacking energy: -254.328
Base-Backbone interact. energy: -3.252
local terms energy: -292.055289
where:
bonds (distance) C4'-P energy: -62.785
bonds (distance) P-C4' energy: -62.129
flat angles C4'-P-C4' energy: -63.264
flat angles P-C4'-P energy: -37.332
tors. eta vs tors. theta energy: -66.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 374
Temperature: 1.300000
Total energy: -730.906433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -730.906433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -730.906433 (E_RNA)
where:
Base-Base interactions energy: -471.487
where: short stacking energy: -215.852
Base-Backbone interact. energy: -1.584
local terms energy: -259.545235
where:
bonds (distance) C4'-P energy: -57.186
bonds (distance) P-C4' energy: -64.381
flat angles C4'-P-C4' energy: -66.125
flat angles P-C4'-P energy: -22.762
tors. eta vs tors. theta energy: -49.093
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: 10, replica: 4
=====================================
Write number: 374
Temperature: 1.350000
Total energy: -717.391820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -717.391820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -717.391820 (E_RNA)
where:
Base-Base interactions energy: -464.785
where: short stacking energy: -208.949
Base-Backbone interact. energy: -0.619
local terms energy: -251.987705
where:
bonds (distance) C4'-P energy: -62.038
bonds (distance) P-C4' energy: -55.439
flat angles C4'-P-C4' energy: -68.616
flat angles P-C4'-P energy: -23.790
tors. eta vs tors. theta energy: -42.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 375
Temperature: 0.900000
Total energy: -1388.339527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1388.339527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1388.339527 (E_RNA)
where:
Base-Base interactions energy: -967.094
where: short stacking energy: -415.982
Base-Backbone interact. energy: -3.221
local terms energy: -418.024603
where:
bonds (distance) C4'-P energy: -76.078
bonds (distance) P-C4' energy: -79.799
flat angles C4'-P-C4' energy: -75.524
flat angles P-C4'-P energy: -63.770
tors. eta vs tors. theta energy: -122.854
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: 375
Temperature: 0.950000
Total energy: -1375.661873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1375.661873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1375.661873 (E_RNA)
where:
Base-Base interactions energy: -971.540
where: short stacking energy: -408.410
Base-Backbone interact. energy: -3.812
local terms energy: -400.309525
where:
bonds (distance) C4'-P energy: -67.840
bonds (distance) P-C4' energy: -76.638
flat angles C4'-P-C4' energy: -89.666
flat angles P-C4'-P energy: -50.670
tors. eta vs tors. theta energy: -115.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 375
Temperature: 1.000000
Total energy: -1311.392310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1311.392310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1311.392310 (E_RNA)
where:
Base-Base interactions energy: -913.917
where: short stacking energy: -404.612
Base-Backbone interact. energy: -0.631
local terms energy: -396.844251
where:
bonds (distance) C4'-P energy: -60.422
bonds (distance) P-C4' energy: -73.595
flat angles C4'-P-C4' energy: -76.611
flat angles P-C4'-P energy: -59.035
tors. eta vs tors. theta energy: -127.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 375
Temperature: 1.050000
Total energy: -1259.762474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1259.762474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1259.762474 (E_RNA)
where:
Base-Base interactions energy: -888.545
where: short stacking energy: -362.430
Base-Backbone interact. energy: -4.207
local terms energy: -367.010322
where:
bonds (distance) C4'-P energy: -76.268
bonds (distance) P-C4' energy: -76.958
flat angles C4'-P-C4' energy: -77.276
flat angles P-C4'-P energy: -45.785
tors. eta vs tors. theta energy: -90.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 375
Temperature: 1.100000
Total energy: -1145.109036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1145.109036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1145.109036 (E_RNA)
where:
Base-Base interactions energy: -797.938
where: short stacking energy: -333.135
Base-Backbone interact. energy: -0.582
local terms energy: -346.589165
where:
bonds (distance) C4'-P energy: -63.406
bonds (distance) P-C4' energy: -64.149
flat angles C4'-P-C4' energy: -81.347
flat angles P-C4'-P energy: -51.011
tors. eta vs tors. theta energy: -86.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 375
Temperature: 1.150000
Total energy: -1155.684501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1155.684501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1155.684501 (E_RNA)
where:
Base-Base interactions energy: -784.990
where: short stacking energy: -315.298
Base-Backbone interact. energy: 0.610
local terms energy: -371.304449
where:
bonds (distance) C4'-P energy: -68.940
bonds (distance) P-C4' energy: -87.464
flat angles C4'-P-C4' energy: -72.134
flat angles P-C4'-P energy: -54.591
tors. eta vs tors. theta energy: -88.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 375
Temperature: 1.200000
Total energy: -907.585179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -907.585179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -907.585179 (E_RNA)
where:
Base-Base interactions energy: -593.851
where: short stacking energy: -270.373
Base-Backbone interact. energy: -1.556
local terms energy: -312.178193
where:
bonds (distance) C4'-P energy: -60.524
bonds (distance) P-C4' energy: -75.784
flat angles C4'-P-C4' energy: -78.010
flat angles P-C4'-P energy: -34.564
tors. eta vs tors. theta energy: -63.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 375
Temperature: 1.250000
Total energy: -899.590726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -899.590726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -899.590726 (E_RNA)
where:
Base-Base interactions energy: -591.914
where: short stacking energy: -255.464
Base-Backbone interact. energy: -0.567
local terms energy: -307.110287
where:
bonds (distance) C4'-P energy: -56.249
bonds (distance) P-C4' energy: -78.454
flat angles C4'-P-C4' energy: -71.224
flat angles P-C4'-P energy: -44.986
tors. eta vs tors. theta energy: -56.198
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: 10
=====================================
Write number: 375
Temperature: 1.300000
Total energy: -736.562073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -736.562073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -736.562073 (E_RNA)
where:
Base-Base interactions energy: -469.364
where: short stacking energy: -214.339
Base-Backbone interact. energy: -1.335
local terms energy: -265.863426
where:
bonds (distance) C4'-P energy: -63.810
bonds (distance) P-C4' energy: -66.990
flat angles C4'-P-C4' energy: -61.571
flat angles P-C4'-P energy: -29.625
tors. eta vs tors. theta energy: -43.868
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: 10, replica: 4
=====================================
Write number: 375
Temperature: 1.350000
Total energy: -746.087498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -746.087498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -746.087498 (E_RNA)
where:
Base-Base interactions energy: -473.009
where: short stacking energy: -221.904
Base-Backbone interact. energy: 2.063
local terms energy: -275.142037
where:
bonds (distance) C4'-P energy: -71.311
bonds (distance) P-C4' energy: -66.650
flat angles C4'-P-C4' energy: -62.269
flat angles P-C4'-P energy: -38.322
tors. eta vs tors. theta energy: -36.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 376
Temperature: 0.900000
Total energy: -1394.842402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1394.842402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1394.842402 (E_RNA)
where:
Base-Base interactions energy: -970.874
where: short stacking energy: -402.970
Base-Backbone interact. energy: -0.476
local terms energy: -424.545245
where:
bonds (distance) C4'-P energy: -72.660
bonds (distance) P-C4' energy: -79.903
flat angles C4'-P-C4' energy: -93.473
flat angles P-C4'-P energy: -55.139
tors. eta vs tors. theta energy: -123.369
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: 2, replica: 5
=====================================
Write number: 376
Temperature: 0.950000
Total energy: -1391.002557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1391.002557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1391.002557 (E_RNA)
where:
Base-Base interactions energy: -982.494
where: short stacking energy: -407.137
Base-Backbone interact. energy: -1.142
local terms energy: -407.366553
where:
bonds (distance) C4'-P energy: -73.943
bonds (distance) P-C4' energy: -76.725
flat angles C4'-P-C4' energy: -87.480
flat angles P-C4'-P energy: -52.177
tors. eta vs tors. theta energy: -117.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 376
Temperature: 1.000000
Total energy: -1302.555906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1302.555906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1302.555906 (E_RNA)
where:
Base-Base interactions energy: -902.046
where: short stacking energy: -390.276
Base-Backbone interact. energy: 1.166
local terms energy: -401.675905
where:
bonds (distance) C4'-P energy: -78.214
bonds (distance) P-C4' energy: -77.407
flat angles C4'-P-C4' energy: -79.036
flat angles P-C4'-P energy: -50.703
tors. eta vs tors. theta energy: -116.317
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: 6
=====================================
Write number: 376
Temperature: 1.050000
Total energy: -1262.878860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1262.878860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1262.878860 (E_RNA)
where:
Base-Base interactions energy: -914.300
where: short stacking energy: -375.882
Base-Backbone interact. energy: 1.616
local terms energy: -350.195219
where:
bonds (distance) C4'-P energy: -66.234
bonds (distance) P-C4' energy: -67.151
flat angles C4'-P-C4' energy: -76.388
flat angles P-C4'-P energy: -44.449
tors. eta vs tors. theta energy: -95.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 376
Temperature: 1.100000
Total energy: -1183.776398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1183.776398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1183.776398 (E_RNA)
where:
Base-Base interactions energy: -826.582
where: short stacking energy: -325.349
Base-Backbone interact. energy: -3.001
local terms energy: -354.193679
where:
bonds (distance) C4'-P energy: -64.545
bonds (distance) P-C4' energy: -72.395
flat angles C4'-P-C4' energy: -67.536
flat angles P-C4'-P energy: -60.569
tors. eta vs tors. theta energy: -89.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 376
Temperature: 1.150000
Total energy: -1089.807322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1089.807322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1089.807322 (E_RNA)
where:
Base-Base interactions energy: -764.416
where: short stacking energy: -301.001
Base-Backbone interact. energy: -0.884
local terms energy: -324.507219
where:
bonds (distance) C4'-P energy: -64.665
bonds (distance) P-C4' energy: -70.060
flat angles C4'-P-C4' energy: -73.113
flat angles P-C4'-P energy: -36.622
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: 7, replica: 2
=====================================
Write number: 376
Temperature: 1.200000
Total energy: -947.077908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -947.077908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -947.077908 (E_RNA)
where:
Base-Base interactions energy: -636.734
where: short stacking energy: -294.655
Base-Backbone interact. energy: -1.775
local terms energy: -308.568682
where:
bonds (distance) C4'-P energy: -57.036
bonds (distance) P-C4' energy: -61.510
flat angles C4'-P-C4' energy: -72.569
flat angles P-C4'-P energy: -44.809
tors. eta vs tors. theta energy: -72.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 376
Temperature: 1.250000
Total energy: -865.172766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -865.172766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -865.172766 (E_RNA)
where:
Base-Base interactions energy: -570.749
where: short stacking energy: -241.310
Base-Backbone interact. energy: -0.850
local terms energy: -293.573772
where:
bonds (distance) C4'-P energy: -70.222
bonds (distance) P-C4' energy: -61.521
flat angles C4'-P-C4' energy: -66.539
flat angles P-C4'-P energy: -45.364
tors. eta vs tors. theta energy: -49.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 376
Temperature: 1.300000
Total energy: -730.244809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -730.244809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -730.244809 (E_RNA)
where:
Base-Base interactions energy: -457.844
where: short stacking energy: -208.078
Base-Backbone interact. energy: 1.846
local terms energy: -274.246948
where:
bonds (distance) C4'-P energy: -62.469
bonds (distance) P-C4' energy: -61.526
flat angles C4'-P-C4' energy: -70.078
flat angles P-C4'-P energy: -32.368
tors. eta vs tors. theta energy: -47.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 376
Temperature: 1.350000
Total energy: -800.292607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -800.292607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -800.292607 (E_RNA)
where:
Base-Base interactions energy: -530.741
where: short stacking energy: -242.008
Base-Backbone interact. energy: -0.464
local terms energy: -269.087672
where:
bonds (distance) C4'-P energy: -67.543
bonds (distance) P-C4' energy: -49.371
flat angles C4'-P-C4' energy: -73.348
flat angles P-C4'-P energy: -24.320
tors. eta vs tors. theta energy: -54.506
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: 3
=====================================
Write number: 377
Temperature: 0.900000
Total energy: -1367.735125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1367.735125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1367.735125 (E_RNA)
where:
Base-Base interactions energy: -948.770
where: short stacking energy: -394.857
Base-Backbone interact. energy: -2.432
local terms energy: -416.533095
where:
bonds (distance) C4'-P energy: -74.075
bonds (distance) P-C4' energy: -81.231
flat angles C4'-P-C4' energy: -88.014
flat angles P-C4'-P energy: -53.599
tors. eta vs tors. theta energy: -119.614
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: 377
Temperature: 0.950000
Total energy: -1365.189693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1365.189693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1365.189693 (E_RNA)
where:
Base-Base interactions energy: -955.043
where: short stacking energy: -395.882
Base-Backbone interact. energy: 0.842
local terms energy: -410.988381
where:
bonds (distance) C4'-P energy: -72.727
bonds (distance) P-C4' energy: -83.728
flat angles C4'-P-C4' energy: -80.983
flat angles P-C4'-P energy: -56.968
tors. eta vs tors. theta energy: -116.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 377
Temperature: 1.000000
Total energy: -1295.965073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1295.965073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1295.965073 (E_RNA)
where:
Base-Base interactions energy: -914.471
where: short stacking energy: -396.181
Base-Backbone interact. energy: 0.534
local terms energy: -382.027568
where:
bonds (distance) C4'-P energy: -70.811
bonds (distance) P-C4' energy: -76.208
flat angles C4'-P-C4' energy: -69.973
flat angles P-C4'-P energy: -53.847
tors. eta vs tors. theta energy: -111.189
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: 6
=====================================
Write number: 377
Temperature: 1.050000
Total energy: -1253.015843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1253.015843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1253.015843 (E_RNA)
where:
Base-Base interactions energy: -903.952
where: short stacking energy: -361.199
Base-Backbone interact. energy: -1.532
local terms energy: -347.531909
where:
bonds (distance) C4'-P energy: -67.520
bonds (distance) P-C4' energy: -65.719
flat angles C4'-P-C4' energy: -75.170
flat angles P-C4'-P energy: -47.572
tors. eta vs tors. theta energy: -91.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 377
Temperature: 1.100000
Total energy: -1132.256244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1132.256244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1132.256244 (E_RNA)
where:
Base-Base interactions energy: -797.974
where: short stacking energy: -311.199
Base-Backbone interact. energy: 0.927
local terms energy: -335.208868
where:
bonds (distance) C4'-P energy: -61.167
bonds (distance) P-C4' energy: -73.200
flat angles C4'-P-C4' energy: -75.540
flat angles P-C4'-P energy: -47.705
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: 6, replica: 7
=====================================
Write number: 377
Temperature: 1.150000
Total energy: -1129.549225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1129.549225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1129.549225 (E_RNA)
where:
Base-Base interactions energy: -785.303
where: short stacking energy: -316.344
Base-Backbone interact. energy: -1.490
local terms energy: -342.755996
where:
bonds (distance) C4'-P energy: -64.020
bonds (distance) P-C4' energy: -61.712
flat angles C4'-P-C4' energy: -73.636
flat angles P-C4'-P energy: -55.659
tors. eta vs tors. theta energy: -87.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 377
Temperature: 1.200000
Total energy: -930.102668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -930.102668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -930.102668 (E_RNA)
where:
Base-Base interactions energy: -606.214
where: short stacking energy: -256.969
Base-Backbone interact. energy: -2.706
local terms energy: -321.182377
where:
bonds (distance) C4'-P energy: -71.575
bonds (distance) P-C4' energy: -64.413
flat angles C4'-P-C4' energy: -72.333
flat angles P-C4'-P energy: -48.031
tors. eta vs tors. theta energy: -64.830
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: 1
=====================================
Write number: 377
Temperature: 1.250000
Total energy: -861.678030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -861.678030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -861.678030 (E_RNA)
where:
Base-Base interactions energy: -562.598
where: short stacking energy: -251.123
Base-Backbone interact. energy: -1.771
local terms energy: -297.309533
where:
bonds (distance) C4'-P energy: -60.773
bonds (distance) P-C4' energy: -58.479
flat angles C4'-P-C4' energy: -72.923
flat angles P-C4'-P energy: -45.987
tors. eta vs tors. theta energy: -59.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 377
Temperature: 1.300000
Total energy: -712.877422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -712.877422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -712.877422 (E_RNA)
where:
Base-Base interactions energy: -452.811
where: short stacking energy: -206.986
Base-Backbone interact. energy: 0.974
local terms energy: -261.039755
where:
bonds (distance) C4'-P energy: -52.440
bonds (distance) P-C4' energy: -60.924
flat angles C4'-P-C4' energy: -69.249
flat angles P-C4'-P energy: -37.442
tors. eta vs tors. theta energy: -40.986
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: 10, replica: 4
=====================================
Write number: 377
Temperature: 1.350000
Total energy: -693.265262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -693.265262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -693.265262 (E_RNA)
where:
Base-Base interactions energy: -458.508
where: short stacking energy: -208.538
Base-Backbone interact. energy: 2.076
local terms energy: -236.833139
where:
bonds (distance) C4'-P energy: -52.768
bonds (distance) P-C4' energy: -47.774
flat angles C4'-P-C4' energy: -59.344
flat angles P-C4'-P energy: -35.427
tors. eta vs tors. theta energy: -41.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 378
Temperature: 0.900000
Total energy: -1403.582951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1403.582951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1403.582951 (E_RNA)
where:
Base-Base interactions energy: -989.318
where: short stacking energy: -400.057
Base-Backbone interact. energy: 1.126
local terms energy: -415.390124
where:
bonds (distance) C4'-P energy: -84.890
bonds (distance) P-C4' energy: -61.142
flat angles C4'-P-C4' energy: -85.364
flat angles P-C4'-P energy: -65.741
tors. eta vs tors. theta energy: -118.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 378
Temperature: 0.950000
Total energy: -1355.142958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1355.142958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1355.142958 (E_RNA)
where:
Base-Base interactions energy: -941.955
where: short stacking energy: -391.347
Base-Backbone interact. energy: -2.183
local terms energy: -411.004619
where:
bonds (distance) C4'-P energy: -76.605
bonds (distance) P-C4' energy: -72.969
flat angles C4'-P-C4' energy: -89.129
flat angles P-C4'-P energy: -57.918
tors. eta vs tors. theta energy: -114.384
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: 6
=====================================
Write number: 378
Temperature: 1.000000
Total energy: -1268.875480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1268.875480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1268.875480 (E_RNA)
where:
Base-Base interactions energy: -891.620
where: short stacking energy: -366.448
Base-Backbone interact. energy: -2.380
local terms energy: -374.875569
where:
bonds (distance) C4'-P energy: -68.798
bonds (distance) P-C4' energy: -78.805
flat angles C4'-P-C4' energy: -85.708
flat angles P-C4'-P energy: -49.125
tors. eta vs tors. theta energy: -92.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 378
Temperature: 1.050000
Total energy: -1279.579721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1279.579721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1279.579721 (E_RNA)
where:
Base-Base interactions energy: -885.714
where: short stacking energy: -380.762
Base-Backbone interact. energy: -1.050
local terms energy: -392.815740
where:
bonds (distance) C4'-P energy: -76.429
bonds (distance) P-C4' energy: -65.519
flat angles C4'-P-C4' energy: -83.504
flat angles P-C4'-P energy: -57.905
tors. eta vs tors. theta energy: -109.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 378
Temperature: 1.100000
Total energy: -1136.774852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1136.774852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1136.774852 (E_RNA)
where:
Base-Base interactions energy: -784.493
where: short stacking energy: -324.763
Base-Backbone interact. energy: -0.924
local terms energy: -351.369322
where:
bonds (distance) C4'-P energy: -69.632
bonds (distance) P-C4' energy: -69.274
flat angles C4'-P-C4' energy: -73.567
flat angles P-C4'-P energy: -48.870
tors. eta vs tors. theta energy: -90.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.012 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 378
Temperature: 1.150000
Total energy: -1144.345358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1144.345358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1144.345358 (E_RNA)
where:
Base-Base interactions energy: -805.813
where: short stacking energy: -328.350
Base-Backbone interact. energy: -2.140
local terms energy: -336.392373
where:
bonds (distance) C4'-P energy: -56.281
bonds (distance) P-C4' energy: -79.246
flat angles C4'-P-C4' energy: -64.186
flat angles P-C4'-P energy: -43.555
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: 7, replica: 2
=====================================
Write number: 378
Temperature: 1.200000
Total energy: -929.266015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -929.266015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -929.266015 (E_RNA)
where:
Base-Base interactions energy: -618.752
where: short stacking energy: -274.715
Base-Backbone interact. energy: -3.685
local terms energy: -306.828690
where:
bonds (distance) C4'-P energy: -69.232
bonds (distance) P-C4' energy: -63.371
flat angles C4'-P-C4' energy: -65.907
flat angles P-C4'-P energy: -40.066
tors. eta vs tors. theta energy: -68.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 378
Temperature: 1.250000
Total energy: -832.185826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -832.185826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -832.185826 (E_RNA)
where:
Base-Base interactions energy: -533.373
where: short stacking energy: -253.967
Base-Backbone interact. energy: -0.300
local terms energy: -298.512695
where:
bonds (distance) C4'-P energy: -68.671
bonds (distance) P-C4' energy: -62.413
flat angles C4'-P-C4' energy: -64.723
flat angles P-C4'-P energy: -39.657
tors. eta vs tors. theta energy: -63.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 378
Temperature: 1.300000
Total energy: -680.310028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -680.310028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -680.310028 (E_RNA)
where:
Base-Base interactions energy: -433.070
where: short stacking energy: -204.736
Base-Backbone interact. energy: 0.692
local terms energy: -247.931324
where:
bonds (distance) C4'-P energy: -60.642
bonds (distance) P-C4' energy: -55.334
flat angles C4'-P-C4' energy: -56.422
flat angles P-C4'-P energy: -43.327
tors. eta vs tors. theta energy: -32.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 378
Temperature: 1.350000
Total energy: -638.138873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -638.138873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -638.138873 (E_RNA)
where:
Base-Base interactions energy: -394.252
where: short stacking energy: -164.396
Base-Backbone interact. energy: -2.989
local terms energy: -240.897632
where:
bonds (distance) C4'-P energy: -58.657
bonds (distance) P-C4' energy: -77.035
flat angles C4'-P-C4' energy: -56.829
flat angles P-C4'-P energy: -34.306
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: 5
=====================================
Write number: 379
Temperature: 0.900000
Total energy: -1401.865104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1401.865104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1401.865104 (E_RNA)
where:
Base-Base interactions energy: -988.177
where: short stacking energy: -411.153
Base-Backbone interact. energy: -2.840
local terms energy: -410.847799
where:
bonds (distance) C4'-P energy: -77.953
bonds (distance) P-C4' energy: -82.082
flat angles C4'-P-C4' energy: -83.202
flat angles P-C4'-P energy: -55.785
tors. eta vs tors. theta energy: -111.825
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: 379
Temperature: 0.950000
Total energy: -1346.999078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1346.999078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1346.999078 (E_RNA)
where:
Base-Base interactions energy: -933.339
where: short stacking energy: -383.847
Base-Backbone interact. energy: -0.880
local terms energy: -412.780300
where:
bonds (distance) C4'-P energy: -71.785
bonds (distance) P-C4' energy: -76.455
flat angles C4'-P-C4' energy: -90.240
flat angles P-C4'-P energy: -57.235
tors. eta vs tors. theta energy: -117.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 379
Temperature: 1.000000
Total energy: -1306.827579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1306.827579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1306.827579 (E_RNA)
where:
Base-Base interactions energy: -941.223
where: short stacking energy: -370.734
Base-Backbone interact. energy: -0.950
local terms energy: -364.654754
where:
bonds (distance) C4'-P energy: -70.405
bonds (distance) P-C4' energy: -78.236
flat angles C4'-P-C4' energy: -70.832
flat angles P-C4'-P energy: -42.668
tors. eta vs tors. theta energy: -102.514
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: 8
=====================================
Write number: 379
Temperature: 1.050000
Total energy: -1261.829306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1261.829306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1261.829306 (E_RNA)
where:
Base-Base interactions energy: -879.385
where: short stacking energy: -386.522
Base-Backbone interact. energy: -1.775
local terms energy: -380.669245
where:
bonds (distance) C4'-P energy: -63.222
bonds (distance) P-C4' energy: -69.261
flat angles C4'-P-C4' energy: -74.305
flat angles P-C4'-P energy: -55.391
tors. eta vs tors. theta energy: -118.490
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: 5, replica: 7
=====================================
Write number: 379
Temperature: 1.100000
Total energy: -1141.798238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1141.798238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1141.798238 (E_RNA)
where:
Base-Base interactions energy: -770.304
where: short stacking energy: -334.880
Base-Backbone interact. energy: 0.285
local terms energy: -371.779584
where:
bonds (distance) C4'-P energy: -68.673
bonds (distance) P-C4' energy: -67.758
flat angles C4'-P-C4' energy: -81.609
flat angles P-C4'-P energy: -62.569
tors. eta vs tors. theta energy: -91.170
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: 6, replica: 9
=====================================
Write number: 379
Temperature: 1.150000
Total energy: -1159.321332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1159.321332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1159.321332 (E_RNA)
where:
Base-Base interactions energy: -814.496
where: short stacking energy: -347.533
Base-Backbone interact. energy: 1.988
local terms energy: -346.823816
where:
bonds (distance) C4'-P energy: -68.716
bonds (distance) P-C4' energy: -59.981
flat angles C4'-P-C4' energy: -76.089
flat angles P-C4'-P energy: -41.101
tors. eta vs tors. theta energy: -100.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.010 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 379
Temperature: 1.200000
Total energy: -932.948723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -932.948723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -932.948723 (E_RNA)
where:
Base-Base interactions energy: -609.876
where: short stacking energy: -256.926
Base-Backbone interact. energy: -0.729
local terms energy: -322.344363
where:
bonds (distance) C4'-P energy: -65.252
bonds (distance) P-C4' energy: -69.465
flat angles C4'-P-C4' energy: -74.341
flat angles P-C4'-P energy: -50.389
tors. eta vs tors. theta energy: -62.897
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: 1
=====================================
Write number: 379
Temperature: 1.250000
Total energy: -885.064876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -885.064876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -885.064876 (E_RNA)
where:
Base-Base interactions energy: -587.771
where: short stacking energy: -258.312
Base-Backbone interact. energy: 2.373
local terms energy: -299.666472
where:
bonds (distance) C4'-P energy: -64.421
bonds (distance) P-C4' energy: -68.849
flat angles C4'-P-C4' energy: -49.999
flat angles P-C4'-P energy: -48.554
tors. eta vs tors. theta energy: -67.845
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: 10
=====================================
Write number: 379
Temperature: 1.300000
Total energy: -674.161647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -674.161647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -674.161647 (E_RNA)
where:
Base-Base interactions energy: -401.654
where: short stacking energy: -177.023
Base-Backbone interact. energy: -2.159
local terms energy: -270.348928
where:
bonds (distance) C4'-P energy: -65.669
bonds (distance) P-C4' energy: -61.728
flat angles C4'-P-C4' energy: -70.850
flat angles P-C4'-P energy: -43.872
tors. eta vs tors. theta energy: -28.230
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: 4
=====================================
Write number: 379
Temperature: 1.350000
Total energy: -588.870246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -588.870246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -588.870246 (E_RNA)
where:
Base-Base interactions energy: -373.891
where: short stacking energy: -169.611
Base-Backbone interact. energy: 4.810
local terms energy: -219.788660
where:
bonds (distance) C4'-P energy: -60.277
bonds (distance) P-C4' energy: -49.943
flat angles C4'-P-C4' energy: -68.075
flat angles P-C4'-P energy: -22.327
tors. eta vs tors. theta energy: -19.166
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: 5
=====================================
Write number: 380
Temperature: 0.900000
Total energy: -1406.876614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1406.876614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1406.876614 (E_RNA)
where:
Base-Base interactions energy: -988.735
where: short stacking energy: -413.225
Base-Backbone interact. energy: -0.923
local terms energy: -417.217648
where:
bonds (distance) C4'-P energy: -80.419
bonds (distance) P-C4' energy: -72.083
flat angles C4'-P-C4' energy: -83.395
flat angles P-C4'-P energy: -57.999
tors. eta vs tors. theta energy: -123.323
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: 380
Temperature: 0.950000
Total energy: -1334.073293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1334.073293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1334.073293 (E_RNA)
where:
Base-Base interactions energy: -931.909
where: short stacking energy: -393.382
Base-Backbone interact. energy: -2.369
local terms energy: -400.398022
where:
bonds (distance) C4'-P energy: -71.262
bonds (distance) P-C4' energy: -81.807
flat angles C4'-P-C4' energy: -84.343
flat angles P-C4'-P energy: -55.974
tors. eta vs tors. theta energy: -107.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.602 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 380
Temperature: 1.000000
Total energy: -1303.825348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1303.825348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1303.825348 (E_RNA)
where:
Base-Base interactions energy: -926.224
where: short stacking energy: -375.282
Base-Backbone interact. energy: -1.120
local terms energy: -376.481221
where:
bonds (distance) C4'-P energy: -69.465
bonds (distance) P-C4' energy: -80.630
flat angles C4'-P-C4' energy: -72.997
flat angles P-C4'-P energy: -47.594
tors. eta vs tors. theta energy: -105.795
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: 4, replica: 8
=====================================
Write number: 380
Temperature: 1.050000
Total energy: -1255.362155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1255.362155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1255.362155 (E_RNA)
where:
Base-Base interactions energy: -852.141
where: short stacking energy: -369.569
Base-Backbone interact. energy: -1.224
local terms energy: -401.996330
where:
bonds (distance) C4'-P energy: -76.207
bonds (distance) P-C4' energy: -80.459
flat angles C4'-P-C4' energy: -76.943
flat angles P-C4'-P energy: -56.231
tors. eta vs tors. theta energy: -112.156
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: 9
=====================================
Write number: 380
Temperature: 1.100000
Total energy: -1173.098379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1173.098379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1173.098379 (E_RNA)
where:
Base-Base interactions energy: -817.454
where: short stacking energy: -329.835
Base-Backbone interact. energy: -1.001
local terms energy: -354.642855
where:
bonds (distance) C4'-P energy: -69.802
bonds (distance) P-C4' energy: -72.590
flat angles C4'-P-C4' energy: -73.649
flat angles P-C4'-P energy: -47.854
tors. eta vs tors. theta energy: -90.748
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: 6, replica: 7
=====================================
Write number: 380
Temperature: 1.150000
Total energy: -1095.984140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1095.984140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1095.984140 (E_RNA)
where:
Base-Base interactions energy: -740.714
where: short stacking energy: -313.760
Base-Backbone interact. energy: -0.914
local terms energy: -354.356558
where:
bonds (distance) C4'-P energy: -67.779
bonds (distance) P-C4' energy: -77.652
flat angles C4'-P-C4' energy: -65.449
flat angles P-C4'-P energy: -55.218
tors. eta vs tors. theta energy: -88.258
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: 7, replica: 2
=====================================
Write number: 380
Temperature: 1.200000
Total energy: -945.644561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -945.644561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -945.644561 (E_RNA)
where:
Base-Base interactions energy: -599.455
where: short stacking energy: -255.059
Base-Backbone interact. energy: -0.804
local terms energy: -345.385611
where:
bonds (distance) C4'-P energy: -77.942
bonds (distance) P-C4' energy: -64.283
flat angles C4'-P-C4' energy: -67.858
flat angles P-C4'-P energy: -49.223
tors. eta vs tors. theta energy: -86.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 380
Temperature: 1.250000
Total energy: -873.003442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -873.003442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -873.003442 (E_RNA)
where:
Base-Base interactions energy: -577.418
where: short stacking energy: -260.213
Base-Backbone interact. energy: 2.198
local terms energy: -297.783639
where:
bonds (distance) C4'-P energy: -58.287
bonds (distance) P-C4' energy: -59.615
flat angles C4'-P-C4' energy: -73.405
flat angles P-C4'-P energy: -48.298
tors. eta vs tors. theta energy: -58.178
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: 9, replica: 10
=====================================
Write number: 380
Temperature: 1.300000
Total energy: -709.072133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -709.072133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -709.072133 (E_RNA)
where:
Base-Base interactions energy: -442.289
where: short stacking energy: -196.473
Base-Backbone interact. energy: -0.651
local terms energy: -266.132722
where:
bonds (distance) C4'-P energy: -66.583
bonds (distance) P-C4' energy: -56.047
flat angles C4'-P-C4' energy: -67.214
flat angles P-C4'-P energy: -35.799
tors. eta vs tors. theta energy: -40.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 380
Temperature: 1.350000
Total energy: -553.620257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.620257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.620257 (E_RNA)
where:
Base-Base interactions energy: -345.267
where: short stacking energy: -159.503
Base-Backbone interact. energy: 1.039
local terms energy: -209.392788
where:
bonds (distance) C4'-P energy: -49.594
bonds (distance) P-C4' energy: -62.958
flat angles C4'-P-C4' energy: -61.322
flat angles P-C4'-P energy: -33.853
tors. eta vs tors. theta energy: -1.665
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: 5
=====================================
Write number: 381
Temperature: 0.900000
Total energy: -1402.659935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1402.659935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1402.659935 (E_RNA)
where:
Base-Base interactions energy: -981.546
where: short stacking energy: -425.073
Base-Backbone interact. energy: -0.358
local terms energy: -420.755698
where:
bonds (distance) C4'-P energy: -76.731
bonds (distance) P-C4' energy: -77.696
flat angles C4'-P-C4' energy: -85.799
flat angles P-C4'-P energy: -61.395
tors. eta vs tors. theta energy: -119.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 381
Temperature: 0.950000
Total energy: -1339.700594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1339.700594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1339.700594 (E_RNA)
where:
Base-Base interactions energy: -934.687
where: short stacking energy: -400.455
Base-Backbone interact. energy: -1.775
local terms energy: -403.238840
where:
bonds (distance) C4'-P energy: -68.725
bonds (distance) P-C4' energy: -78.131
flat angles C4'-P-C4' energy: -80.227
flat angles P-C4'-P energy: -61.514
tors. eta vs tors. theta energy: -114.642
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: 3, replica: 6
=====================================
Write number: 381
Temperature: 1.000000
Total energy: -1297.137423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1297.137423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1297.137423 (E_RNA)
where:
Base-Base interactions energy: -926.264
where: short stacking energy: -365.847
Base-Backbone interact. energy: -1.530
local terms energy: -369.343244
where:
bonds (distance) C4'-P energy: -64.640
bonds (distance) P-C4' energy: -75.854
flat angles C4'-P-C4' energy: -89.937
flat angles P-C4'-P energy: -45.198
tors. eta vs tors. theta energy: -93.714
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: 8
=====================================
Write number: 381
Temperature: 1.050000
Total energy: -1282.988989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1282.988989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1282.988989 (E_RNA)
where:
Base-Base interactions energy: -883.570
where: short stacking energy: -392.258
Base-Backbone interact. energy: -0.090
local terms energy: -399.329427
where:
bonds (distance) C4'-P energy: -75.507
bonds (distance) P-C4' energy: -73.136
flat angles C4'-P-C4' energy: -83.276
flat angles P-C4'-P energy: -47.782
tors. eta vs tors. theta energy: -119.629
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: 5, replica: 9
=====================================
Write number: 381
Temperature: 1.100000
Total energy: -1171.899330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1171.899330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1171.899330 (E_RNA)
where:
Base-Base interactions energy: -827.970
where: short stacking energy: -325.292
Base-Backbone interact. energy: -0.724
local terms energy: -345.264990
where:
bonds (distance) C4'-P energy: -62.903
bonds (distance) P-C4' energy: -71.211
flat angles C4'-P-C4' energy: -70.982
flat angles P-C4'-P energy: -52.015
tors. eta vs tors. theta energy: -88.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 2.060 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 381
Temperature: 1.150000
Total energy: -1072.934241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1072.934241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1072.934241 (E_RNA)
where:
Base-Base interactions energy: -732.718
where: short stacking energy: -284.593
Base-Backbone interact. energy: 0.136
local terms energy: -340.352341
where:
bonds (distance) C4'-P energy: -64.533
bonds (distance) P-C4' energy: -73.767
flat angles C4'-P-C4' energy: -77.424
flat angles P-C4'-P energy: -44.898
tors. eta vs tors. theta energy: -79.731
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: 7, replica: 2
=====================================
Write number: 381
Temperature: 1.200000
Total energy: -909.756587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -909.756587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -909.756587 (E_RNA)
where:
Base-Base interactions energy: -591.763
where: short stacking energy: -265.975
Base-Backbone interact. energy: 0.484
local terms energy: -318.477616
where:
bonds (distance) C4'-P energy: -66.895
bonds (distance) P-C4' energy: -71.887
flat angles C4'-P-C4' energy: -66.345
flat angles P-C4'-P energy: -47.731
tors. eta vs tors. theta energy: -65.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 381
Temperature: 1.250000
Total energy: -892.127677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -892.127677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -892.127677 (E_RNA)
where:
Base-Base interactions energy: -585.359
where: short stacking energy: -270.055
Base-Backbone interact. energy: -2.482
local terms energy: -304.287095
where:
bonds (distance) C4'-P energy: -62.184
bonds (distance) P-C4' energy: -69.262
flat angles C4'-P-C4' energy: -60.831
flat angles P-C4'-P energy: -39.924
tors. eta vs tors. theta energy: -72.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 381
Temperature: 1.300000
Total energy: -690.329729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -690.329729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -690.329729 (E_RNA)
where:
Base-Base interactions energy: -446.731
where: short stacking energy: -206.163
Base-Backbone interact. energy: -1.224
local terms energy: -242.374620
where:
bonds (distance) C4'-P energy: -60.906
bonds (distance) P-C4' energy: -47.179
flat angles C4'-P-C4' energy: -64.815
flat angles P-C4'-P energy: -40.860
tors. eta vs tors. theta energy: -28.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 381
Temperature: 1.350000
Total energy: -594.147066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -594.147066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -594.147066 (E_RNA)
where:
Base-Base interactions energy: -363.679
where: short stacking energy: -170.808
Base-Backbone interact. energy: 6.045
local terms energy: -236.513594
where:
bonds (distance) C4'-P energy: -64.208
bonds (distance) P-C4' energy: -61.869
flat angles C4'-P-C4' energy: -59.345
flat angles P-C4'-P energy: -32.500
tors. eta vs tors. theta energy: -18.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 382
Temperature: 0.900000
Total energy: -1417.333175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1417.333175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1417.333175 (E_RNA)
where:
Base-Base interactions energy: -996.890
where: short stacking energy: -403.463
Base-Backbone interact. energy: 2.816
local terms energy: -423.259427
where:
bonds (distance) C4'-P energy: -78.118
bonds (distance) P-C4' energy: -81.482
flat angles C4'-P-C4' energy: -88.202
flat angles P-C4'-P energy: -56.137
tors. eta vs tors. theta energy: -119.320
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: 382
Temperature: 0.950000
Total energy: -1346.001957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1346.001957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1346.001957 (E_RNA)
where:
Base-Base interactions energy: -914.948
where: short stacking energy: -389.829
Base-Backbone interact. energy: -3.068
local terms energy: -427.985681
where:
bonds (distance) C4'-P energy: -79.323
bonds (distance) P-C4' energy: -80.100
flat angles C4'-P-C4' energy: -87.574
flat angles P-C4'-P energy: -64.604
tors. eta vs tors. theta energy: -116.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 382
Temperature: 1.000000
Total energy: -1308.859022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1308.859022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1308.859022 (E_RNA)
where:
Base-Base interactions energy: -922.292
where: short stacking energy: -371.121
Base-Backbone interact. energy: -3.053
local terms energy: -383.514142
where:
bonds (distance) C4'-P energy: -67.319
bonds (distance) P-C4' energy: -83.974
flat angles C4'-P-C4' energy: -84.706
flat angles P-C4'-P energy: -46.147
tors. eta vs tors. theta energy: -101.368
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: 4, replica: 8
=====================================
Write number: 382
Temperature: 1.050000
Total energy: -1252.512166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1252.512166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1252.512166 (E_RNA)
where:
Base-Base interactions energy: -876.821
where: short stacking energy: -372.149
Base-Backbone interact. energy: -0.023
local terms energy: -375.668035
where:
bonds (distance) C4'-P energy: -69.438
bonds (distance) P-C4' energy: -67.133
flat angles C4'-P-C4' energy: -77.288
flat angles P-C4'-P energy: -52.643
tors. eta vs tors. theta energy: -109.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 382
Temperature: 1.100000
Total energy: -1194.389691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1194.389691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1194.389691 (E_RNA)
where:
Base-Base interactions energy: -831.317
where: short stacking energy: -325.662
Base-Backbone interact. energy: -1.691
local terms energy: -361.412124
where:
bonds (distance) C4'-P energy: -68.493
bonds (distance) P-C4' energy: -73.792
flat angles C4'-P-C4' energy: -75.620
flat angles P-C4'-P energy: -59.324
tors. eta vs tors. theta energy: -84.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.030 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 382
Temperature: 1.150000
Total energy: -1107.656354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1107.656354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1107.656354 (E_RNA)
where:
Base-Base interactions energy: -779.907
where: short stacking energy: -307.281
Base-Backbone interact. energy: -0.459
local terms energy: -327.291037
where:
bonds (distance) C4'-P energy: -66.650
bonds (distance) P-C4' energy: -69.436
flat angles C4'-P-C4' energy: -64.599
flat angles P-C4'-P energy: -46.144
tors. eta vs tors. theta energy: -80.461
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: 382
Temperature: 1.200000
Total energy: -941.562829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -941.562829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -941.562829 (E_RNA)
where:
Base-Base interactions energy: -620.920
where: short stacking energy: -282.158
Base-Backbone interact. energy: 2.311
local terms energy: -322.953511
where:
bonds (distance) C4'-P energy: -60.742
bonds (distance) P-C4' energy: -63.126
flat angles C4'-P-C4' energy: -78.240
flat angles P-C4'-P energy: -47.263
tors. eta vs tors. theta energy: -73.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 382
Temperature: 1.250000
Total energy: -892.392501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -892.392501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -892.392501 (E_RNA)
where:
Base-Base interactions energy: -548.646
where: short stacking energy: -236.209
Base-Backbone interact. energy: -3.782
local terms energy: -339.963956
where:
bonds (distance) C4'-P energy: -71.444
bonds (distance) P-C4' energy: -71.048
flat angles C4'-P-C4' energy: -78.009
flat angles P-C4'-P energy: -56.063
tors. eta vs tors. theta energy: -63.399
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: 9, replica: 10
=====================================
Write number: 382
Temperature: 1.300000
Total energy: -728.649879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -728.649879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -728.649879 (E_RNA)
where:
Base-Base interactions energy: -452.430
where: short stacking energy: -210.960
Base-Backbone interact. energy: -1.867
local terms energy: -274.352393
where:
bonds (distance) C4'-P energy: -61.042
bonds (distance) P-C4' energy: -53.002
flat angles C4'-P-C4' energy: -76.976
flat angles P-C4'-P energy: -40.393
tors. eta vs tors. theta energy: -42.939
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: 4
=====================================
Write number: 382
Temperature: 1.350000
Total energy: -582.270218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -582.270218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -582.270218 (E_RNA)
where:
Base-Base interactions energy: -347.938
where: short stacking energy: -166.324
Base-Backbone interact. energy: -3.167
local terms energy: -231.165424
where:
bonds (distance) C4'-P energy: -49.395
bonds (distance) P-C4' energy: -54.532
flat angles C4'-P-C4' energy: -57.310
flat angles P-C4'-P energy: -46.167
tors. eta vs tors. theta energy: -23.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 383
Temperature: 0.900000
Total energy: -1410.801737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1410.801737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1410.801737 (E_RNA)
where:
Base-Base interactions energy: -990.633
where: short stacking energy: -404.427
Base-Backbone interact. energy: -2.774
local terms energy: -417.394579
where:
bonds (distance) C4'-P energy: -75.525
bonds (distance) P-C4' energy: -75.731
flat angles C4'-P-C4' energy: -83.729
flat angles P-C4'-P energy: -64.676
tors. eta vs tors. theta energy: -117.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 383
Temperature: 0.950000
Total energy: -1323.518409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1323.518409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1323.518409 (E_RNA)
where:
Base-Base interactions energy: -934.026
where: short stacking energy: -376.415
Base-Backbone interact. energy: -3.491
local terms energy: -386.000601
where:
bonds (distance) C4'-P energy: -75.128
bonds (distance) P-C4' energy: -79.656
flat angles C4'-P-C4' energy: -83.127
flat angles P-C4'-P energy: -53.145
tors. eta vs tors. theta energy: -94.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 383
Temperature: 1.000000
Total energy: -1327.011860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1327.011860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1327.011860 (E_RNA)
where:
Base-Base interactions energy: -922.814
where: short stacking energy: -407.194
Base-Backbone interact. energy: -1.910
local terms energy: -402.288162
where:
bonds (distance) C4'-P energy: -69.265
bonds (distance) P-C4' energy: -83.992
flat angles C4'-P-C4' energy: -80.063
flat angles P-C4'-P energy: -51.275
tors. eta vs tors. theta energy: -117.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 383
Temperature: 1.050000
Total energy: -1229.859874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1229.859874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1229.859874 (E_RNA)
where:
Base-Base interactions energy: -866.090
where: short stacking energy: -331.345
Base-Backbone interact. energy: -2.272
local terms energy: -361.498366
where:
bonds (distance) C4'-P energy: -68.809
bonds (distance) P-C4' energy: -83.975
flat angles C4'-P-C4' energy: -71.208
flat angles P-C4'-P energy: -56.359
tors. eta vs tors. theta energy: -81.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 383
Temperature: 1.100000
Total energy: -1242.273809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1242.273809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1242.273809 (E_RNA)
where:
Base-Base interactions energy: -858.311
where: short stacking energy: -359.017
Base-Backbone interact. energy: -2.905
local terms energy: -381.058498
where:
bonds (distance) C4'-P energy: -66.938
bonds (distance) P-C4' energy: -64.378
flat angles C4'-P-C4' energy: -81.780
flat angles P-C4'-P energy: -49.278
tors. eta vs tors. theta energy: -118.684
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: 7
=====================================
Write number: 383
Temperature: 1.150000
Total energy: -1088.617950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1088.617950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1088.617950 (E_RNA)
where:
Base-Base interactions energy: -735.282
where: short stacking energy: -304.194
Base-Backbone interact. energy: -1.780
local terms energy: -351.555753
where:
bonds (distance) C4'-P energy: -73.173
bonds (distance) P-C4' energy: -71.728
flat angles C4'-P-C4' energy: -77.860
flat angles P-C4'-P energy: -52.008
tors. eta vs tors. theta energy: -76.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 383
Temperature: 1.200000
Total energy: -926.203689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -926.203689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -926.203689 (E_RNA)
where:
Base-Base interactions energy: -617.648
where: short stacking energy: -267.819
Base-Backbone interact. energy: -1.935
local terms energy: -306.620074
where:
bonds (distance) C4'-P energy: -62.510
bonds (distance) P-C4' energy: -73.254
flat angles C4'-P-C4' energy: -69.101
flat angles P-C4'-P energy: -39.886
tors. eta vs tors. theta energy: -61.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 383
Temperature: 1.250000
Total energy: -894.842545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -894.842545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -894.842545 (E_RNA)
where:
Base-Base interactions energy: -591.466
where: short stacking energy: -268.099
Base-Backbone interact. energy: -0.904
local terms energy: -302.472302
where:
bonds (distance) C4'-P energy: -67.548
bonds (distance) P-C4' energy: -60.971
flat angles C4'-P-C4' energy: -64.210
flat angles P-C4'-P energy: -48.161
tors. eta vs tors. theta energy: -61.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 383
Temperature: 1.300000
Total energy: -737.963494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -737.963494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -737.963494 (E_RNA)
where:
Base-Base interactions energy: -469.593
where: short stacking energy: -209.759
Base-Backbone interact. energy: -2.798
local terms energy: -265.572556
where:
bonds (distance) C4'-P energy: -64.778
bonds (distance) P-C4' energy: -55.980
flat angles C4'-P-C4' energy: -53.081
flat angles P-C4'-P energy: -45.988
tors. eta vs tors. theta energy: -45.746
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: 4
=====================================
Write number: 383
Temperature: 1.350000
Total energy: -566.296776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -566.296776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -566.296776 (E_RNA)
where:
Base-Base interactions energy: -341.149
where: short stacking energy: -165.736
Base-Backbone interact. energy: -1.167
local terms energy: -223.980782
where:
bonds (distance) C4'-P energy: -69.602
bonds (distance) P-C4' energy: -35.974
flat angles C4'-P-C4' energy: -58.664
flat angles P-C4'-P energy: -31.624
tors. eta vs tors. theta energy: -28.116
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: 1, replica: 5
=====================================
Write number: 384
Temperature: 0.900000
Total energy: -1410.541646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1410.541646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1410.541646 (E_RNA)
where:
Base-Base interactions energy: -986.543
where: short stacking energy: -411.835
Base-Backbone interact. energy: -2.023
local terms energy: -421.975852
where:
bonds (distance) C4'-P energy: -75.622
bonds (distance) P-C4' energy: -78.601
flat angles C4'-P-C4' energy: -88.285
flat angles P-C4'-P energy: -60.684
tors. eta vs tors. theta energy: -118.784
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: 6
=====================================
Write number: 384
Temperature: 0.950000
Total energy: -1305.345660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1305.345660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1305.345660 (E_RNA)
where:
Base-Base interactions energy: -930.041
where: short stacking energy: -388.270
Base-Backbone interact. energy: -0.537
local terms energy: -374.767292
where:
bonds (distance) C4'-P energy: -59.189
bonds (distance) P-C4' energy: -76.545
flat angles C4'-P-C4' energy: -82.328
flat angles P-C4'-P energy: -56.243
tors. eta vs tors. theta energy: -100.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 384
Temperature: 1.000000
Total energy: -1295.064350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1295.064350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1295.064350 (E_RNA)
where:
Base-Base interactions energy: -890.057
where: short stacking energy: -389.970
Base-Backbone interact. energy: 4.369
local terms energy: -409.375465
where:
bonds (distance) C4'-P energy: -84.294
bonds (distance) P-C4' energy: -77.457
flat angles C4'-P-C4' energy: -84.574
flat angles P-C4'-P energy: -56.215
tors. eta vs tors. theta energy: -106.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 384
Temperature: 1.050000
Total energy: -1212.485843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1212.485843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1212.485843 (E_RNA)
where:
Base-Base interactions energy: -844.905
where: short stacking energy: -338.196
Base-Backbone interact. energy: -2.388
local terms energy: -365.193124
where:
bonds (distance) C4'-P energy: -70.538
bonds (distance) P-C4' energy: -75.295
flat angles C4'-P-C4' energy: -76.994
flat angles P-C4'-P energy: -50.928
tors. eta vs tors. theta energy: -91.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 384
Temperature: 1.100000
Total energy: -1210.443208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1210.443208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1210.443208 (E_RNA)
where:
Base-Base interactions energy: -841.999
where: short stacking energy: -362.548
Base-Backbone interact. energy: -1.151
local terms energy: -367.292803
where:
bonds (distance) C4'-P energy: -66.442
bonds (distance) P-C4' energy: -74.054
flat angles C4'-P-C4' energy: -76.628
flat angles P-C4'-P energy: -46.077
tors. eta vs tors. theta energy: -104.091
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: 384
Temperature: 1.150000
Total energy: -1085.987553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1085.987553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1085.987553 (E_RNA)
where:
Base-Base interactions energy: -755.026
where: short stacking energy: -325.796
Base-Backbone interact. energy: -1.942
local terms energy: -329.018778
where:
bonds (distance) C4'-P energy: -57.369
bonds (distance) P-C4' energy: -60.639
flat angles C4'-P-C4' energy: -65.540
flat angles P-C4'-P energy: -53.883
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: 7, replica: 1
=====================================
Write number: 384
Temperature: 1.200000
Total energy: -957.221392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -957.221392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -957.221392 (E_RNA)
where:
Base-Base interactions energy: -650.435
where: short stacking energy: -291.035
Base-Backbone interact. energy: 4.440
local terms energy: -311.226903
where:
bonds (distance) C4'-P energy: -64.241
bonds (distance) P-C4' energy: -65.261
flat angles C4'-P-C4' energy: -72.727
flat angles P-C4'-P energy: -44.988
tors. eta vs tors. theta energy: -64.009
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: 2
=====================================
Write number: 384
Temperature: 1.250000
Total energy: -881.962306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -881.962306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -881.962306 (E_RNA)
where:
Base-Base interactions energy: -585.076
where: short stacking energy: -268.532
Base-Backbone interact. energy: -1.436
local terms energy: -295.449637
where:
bonds (distance) C4'-P energy: -64.318
bonds (distance) P-C4' energy: -56.880
flat angles C4'-P-C4' energy: -65.263
flat angles P-C4'-P energy: -35.682
tors. eta vs tors. theta energy: -73.307
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: 9, replica: 10
=====================================
Write number: 384
Temperature: 1.300000
Total energy: -746.661824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -746.661824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -746.661824 (E_RNA)
where:
Base-Base interactions energy: -469.823
where: short stacking energy: -209.579
Base-Backbone interact. energy: -1.099
local terms energy: -276.007009
where:
bonds (distance) C4'-P energy: -69.971
bonds (distance) P-C4' energy: -68.529
flat angles C4'-P-C4' energy: -68.919
flat angles P-C4'-P energy: -35.653
tors. eta vs tors. theta energy: -32.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.267 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 384
Temperature: 1.350000
Total energy: -526.346495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.346495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.346495 (E_RNA)
where:
Base-Base interactions energy: -289.039
where: short stacking energy: -144.454
Base-Backbone interact. energy: -2.135
local terms energy: -235.172931
where:
bonds (distance) C4'-P energy: -57.166
bonds (distance) P-C4' energy: -75.207
flat angles C4'-P-C4' energy: -59.175
flat angles P-C4'-P energy: -32.683
tors. eta vs tors. theta energy: -10.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 385
Temperature: 0.900000
Total energy: -1407.238450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1407.238450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1407.238450 (E_RNA)
where:
Base-Base interactions energy: -983.416
where: short stacking energy: -407.894
Base-Backbone interact. energy: -0.295
local terms energy: -423.527411
where:
bonds (distance) C4'-P energy: -81.549
bonds (distance) P-C4' energy: -78.698
flat angles C4'-P-C4' energy: -83.929
flat angles P-C4'-P energy: -60.174
tors. eta vs tors. theta energy: -119.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 385
Temperature: 0.950000
Total energy: -1324.991531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1324.991531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1324.991531 (E_RNA)
where:
Base-Base interactions energy: -916.327
where: short stacking energy: -393.002
Base-Backbone interact. energy: -0.039
local terms energy: -408.625475
where:
bonds (distance) C4'-P energy: -69.863
bonds (distance) P-C4' energy: -72.560
flat angles C4'-P-C4' energy: -91.520
flat angles P-C4'-P energy: -55.895
tors. eta vs tors. theta energy: -118.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 385
Temperature: 1.000000
Total energy: -1282.563400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1282.563400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1282.563400 (E_RNA)
where:
Base-Base interactions energy: -910.498
where: short stacking energy: -366.816
Base-Backbone interact. energy: -1.526
local terms energy: -370.538899
where:
bonds (distance) C4'-P energy: -63.373
bonds (distance) P-C4' energy: -69.243
flat angles C4'-P-C4' energy: -84.503
flat angles P-C4'-P energy: -52.888
tors. eta vs tors. theta energy: -100.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 385
Temperature: 1.050000
Total energy: -1241.150824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1241.150824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1241.150824 (E_RNA)
where:
Base-Base interactions energy: -831.848
where: short stacking energy: -363.373
Base-Backbone interact. energy: -0.899
local terms energy: -408.404544
where:
bonds (distance) C4'-P energy: -76.027
bonds (distance) P-C4' energy: -76.021
flat angles C4'-P-C4' energy: -88.906
flat angles P-C4'-P energy: -57.481
tors. eta vs tors. theta energy: -109.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 385
Temperature: 1.100000
Total energy: -1168.207826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1168.207826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1168.207826 (E_RNA)
where:
Base-Base interactions energy: -820.042
where: short stacking energy: -343.558
Base-Backbone interact. energy: -0.764
local terms energy: -347.401632
where:
bonds (distance) C4'-P energy: -54.672
bonds (distance) P-C4' energy: -71.421
flat angles C4'-P-C4' energy: -75.201
flat angles P-C4'-P energy: -51.953
tors. eta vs tors. theta energy: -94.155
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: 7
=====================================
Write number: 385
Temperature: 1.150000
Total energy: -1125.207268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1125.207268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1125.207268 (E_RNA)
where:
Base-Base interactions energy: -762.105
where: short stacking energy: -308.661
Base-Backbone interact. energy: -1.185
local terms energy: -361.917650
where:
bonds (distance) C4'-P energy: -68.027
bonds (distance) P-C4' energy: -71.988
flat angles C4'-P-C4' energy: -82.421
flat angles P-C4'-P energy: -46.954
tors. eta vs tors. theta energy: -92.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 385
Temperature: 1.200000
Total energy: -943.253088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -943.253088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -943.253088 (E_RNA)
where:
Base-Base interactions energy: -632.395
where: short stacking energy: -271.026
Base-Backbone interact. energy: 0.913
local terms energy: -311.771272
where:
bonds (distance) C4'-P energy: -63.613
bonds (distance) P-C4' energy: -67.042
flat angles C4'-P-C4' energy: -71.518
flat angles P-C4'-P energy: -41.372
tors. eta vs tors. theta energy: -68.225
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: 2
=====================================
Write number: 385
Temperature: 1.250000
Total energy: -915.871334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -915.871334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -915.871334 (E_RNA)
where:
Base-Base interactions energy: -599.684
where: short stacking energy: -250.855
Base-Backbone interact. energy: 0.208
local terms energy: -316.395599
where:
bonds (distance) C4'-P energy: -72.419
bonds (distance) P-C4' energy: -62.665
flat angles C4'-P-C4' energy: -75.787
flat angles P-C4'-P energy: -38.091
tors. eta vs tors. theta energy: -67.435
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: 10
=====================================
Write number: 385
Temperature: 1.300000
Total energy: -796.618674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -796.618674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -796.618674 (E_RNA)
where:
Base-Base interactions energy: -497.549
where: short stacking energy: -231.153
Base-Backbone interact. energy: -3.377
local terms energy: -295.692472
where:
bonds (distance) C4'-P energy: -59.585
bonds (distance) P-C4' energy: -68.567
flat angles C4'-P-C4' energy: -75.818
flat angles P-C4'-P energy: -35.648
tors. eta vs tors. theta energy: -56.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 385
Temperature: 1.350000
Total energy: -451.534175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.534175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.534175 (E_RNA)
where:
Base-Base interactions energy: -229.524
where: short stacking energy: -121.396
Base-Backbone interact. energy: 1.369
local terms energy: -223.379808
where:
bonds (distance) C4'-P energy: -70.609
bonds (distance) P-C4' energy: -76.103
flat angles C4'-P-C4' energy: -49.825
flat angles P-C4'-P energy: -24.904
tors. eta vs tors. theta energy: -1.939
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: 5
=====================================
Write number: 386
Temperature: 0.900000
Total energy: -1400.316391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1400.316391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1400.316391 (E_RNA)
where:
Base-Base interactions energy: -975.346
where: short stacking energy: -408.872
Base-Backbone interact. energy: -3.921
local terms energy: -421.049303
where:
bonds (distance) C4'-P energy: -76.999
bonds (distance) P-C4' energy: -78.292
flat angles C4'-P-C4' energy: -91.766
flat angles P-C4'-P energy: -58.508
tors. eta vs tors. theta energy: -115.485
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: 386
Temperature: 0.950000
Total energy: -1315.394349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1315.394349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1315.394349 (E_RNA)
where:
Base-Base interactions energy: -893.371
where: short stacking energy: -409.024
Base-Backbone interact. energy: -1.145
local terms energy: -420.878772
where:
bonds (distance) C4'-P energy: -81.255
bonds (distance) P-C4' energy: -75.933
flat angles C4'-P-C4' energy: -89.518
flat angles P-C4'-P energy: -59.311
tors. eta vs tors. theta energy: -114.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 386
Temperature: 1.000000
Total energy: -1294.669855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1294.669855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1294.669855 (E_RNA)
where:
Base-Base interactions energy: -907.626
where: short stacking energy: -390.104
Base-Backbone interact. energy: -2.669
local terms energy: -384.374193
where:
bonds (distance) C4'-P energy: -64.509
bonds (distance) P-C4' energy: -70.256
flat angles C4'-P-C4' energy: -76.382
flat angles P-C4'-P energy: -61.607
tors. eta vs tors. theta energy: -111.621
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: 6
=====================================
Write number: 386
Temperature: 1.050000
Total energy: -1261.169995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1261.169995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1261.169995 (E_RNA)
where:
Base-Base interactions energy: -904.398
where: short stacking energy: -358.764
Base-Backbone interact. energy: -1.794
local terms energy: -354.977237
where:
bonds (distance) C4'-P energy: -67.828
bonds (distance) P-C4' energy: -58.599
flat angles C4'-P-C4' energy: -80.784
flat angles P-C4'-P energy: -49.445
tors. eta vs tors. theta energy: -98.322
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: 9
=====================================
Write number: 386
Temperature: 1.100000
Total energy: -1164.837958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1164.837958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1164.837958 (E_RNA)
where:
Base-Base interactions energy: -803.798
where: short stacking energy: -311.784
Base-Backbone interact. energy: -2.398
local terms energy: -358.784323
where:
bonds (distance) C4'-P energy: -65.043
bonds (distance) P-C4' energy: -72.858
flat angles C4'-P-C4' energy: -74.130
flat angles P-C4'-P energy: -57.973
tors. eta vs tors. theta energy: -88.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.143 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 386
Temperature: 1.150000
Total energy: -1113.367440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1113.367440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1113.367440 (E_RNA)
where:
Base-Base interactions energy: -767.821
where: short stacking energy: -308.835
Base-Backbone interact. energy: -0.900
local terms energy: -345.534891
where:
bonds (distance) C4'-P energy: -69.056
bonds (distance) P-C4' energy: -72.053
flat angles C4'-P-C4' energy: -67.282
flat angles P-C4'-P energy: -48.970
tors. eta vs tors. theta energy: -88.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.888 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 386
Temperature: 1.200000
Total energy: -944.918712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -944.918712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -944.918712 (E_RNA)
where:
Base-Base interactions energy: -653.028
where: short stacking energy: -266.067
Base-Backbone interact. energy: 2.315
local terms energy: -294.205824
where:
bonds (distance) C4'-P energy: -62.415
bonds (distance) P-C4' energy: -65.715
flat angles C4'-P-C4' energy: -74.754
flat angles P-C4'-P energy: -37.989
tors. eta vs tors. theta energy: -53.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 386
Temperature: 1.250000
Total energy: -886.823862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -886.823862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -886.823862 (E_RNA)
where:
Base-Base interactions energy: -575.606
where: short stacking energy: -261.263
Base-Backbone interact. energy: -0.531
local terms energy: -310.686754
where:
bonds (distance) C4'-P energy: -63.846
bonds (distance) P-C4' energy: -76.850
flat angles C4'-P-C4' energy: -70.084
flat angles P-C4'-P energy: -39.069
tors. eta vs tors. theta energy: -60.837
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: 9, replica: 10
=====================================
Write number: 386
Temperature: 1.300000
Total energy: -711.735189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -711.735189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -711.735189 (E_RNA)
where:
Base-Base interactions energy: -434.338
where: short stacking energy: -199.771
Base-Backbone interact. energy: -2.556
local terms energy: -274.840438
where:
bonds (distance) C4'-P energy: -62.284
bonds (distance) P-C4' energy: -70.579
flat angles C4'-P-C4' energy: -62.962
flat angles P-C4'-P energy: -46.297
tors. eta vs tors. theta energy: -32.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 386
Temperature: 1.350000
Total energy: -535.683104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.683104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.683104 (E_RNA)
where:
Base-Base interactions energy: -298.856
where: short stacking energy: -157.351
Base-Backbone interact. energy: 0.683
local terms energy: -237.510240
where:
bonds (distance) C4'-P energy: -57.667
bonds (distance) P-C4' energy: -74.292
flat angles C4'-P-C4' energy: -50.068
flat angles P-C4'-P energy: -41.299
tors. eta vs tors. theta energy: -14.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 387
Temperature: 0.900000
Total energy: -1386.316689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1386.316689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1386.316689 (E_RNA)
where:
Base-Base interactions energy: -976.558
where: short stacking energy: -412.384
Base-Backbone interact. energy: -0.509
local terms energy: -409.249326
where:
bonds (distance) C4'-P energy: -73.442
bonds (distance) P-C4' energy: -73.100
flat angles C4'-P-C4' energy: -89.215
flat angles P-C4'-P energy: -55.413
tors. eta vs tors. theta energy: -118.079
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: 387
Temperature: 0.950000
Total energy: -1295.252102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1295.252102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1295.252102 (E_RNA)
where:
Base-Base interactions energy: -902.671
where: short stacking energy: -375.084
Base-Backbone interact. energy: 5.316
local terms energy: -397.897473
where:
bonds (distance) C4'-P energy: -78.854
bonds (distance) P-C4' energy: -81.486
flat angles C4'-P-C4' energy: -85.323
flat angles P-C4'-P energy: -50.540
tors. eta vs tors. theta energy: -101.694
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: 3, replica: 8
=====================================
Write number: 387
Temperature: 1.000000
Total energy: -1302.963528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1302.963528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1302.963528 (E_RNA)
where:
Base-Base interactions energy: -895.129
where: short stacking energy: -381.061
Base-Backbone interact. energy: 1.487
local terms energy: -409.322088
where:
bonds (distance) C4'-P energy: -73.029
bonds (distance) P-C4' energy: -77.293
flat angles C4'-P-C4' energy: -84.487
flat angles P-C4'-P energy: -56.900
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: 4, replica: 6
=====================================
Write number: 387
Temperature: 1.050000
Total energy: -1272.449602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1272.449602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1272.449602 (E_RNA)
where:
Base-Base interactions energy: -894.563
where: short stacking energy: -363.607
Base-Backbone interact. energy: -1.199
local terms energy: -376.687143
where:
bonds (distance) C4'-P energy: -70.742
bonds (distance) P-C4' energy: -78.489
flat angles C4'-P-C4' energy: -67.414
flat angles P-C4'-P energy: -61.522
tors. eta vs tors. theta energy: -98.520
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: 9
=====================================
Write number: 387
Temperature: 1.100000
Total energy: -1167.588722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1167.588722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1167.588722 (E_RNA)
where:
Base-Base interactions energy: -817.850
where: short stacking energy: -343.566
Base-Backbone interact. energy: -1.006
local terms energy: -348.884814
where:
bonds (distance) C4'-P energy: -73.032
bonds (distance) P-C4' energy: -67.275
flat angles C4'-P-C4' energy: -64.134
flat angles P-C4'-P energy: -54.194
tors. eta vs tors. theta energy: -90.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.152 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 387
Temperature: 1.150000
Total energy: -1156.039664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1156.039664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1156.039664 (E_RNA)
where:
Base-Base interactions energy: -797.532
where: short stacking energy: -342.687
Base-Backbone interact. energy: -2.107
local terms energy: -356.399844
where:
bonds (distance) C4'-P energy: -64.619
bonds (distance) P-C4' energy: -66.854
flat angles C4'-P-C4' energy: -80.166
flat angles P-C4'-P energy: -48.786
tors. eta vs tors. theta energy: -95.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 387
Temperature: 1.200000
Total energy: -958.330348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -958.330348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -958.330348 (E_RNA)
where:
Base-Base interactions energy: -640.907
where: short stacking energy: -275.635
Base-Backbone interact. energy: 3.847
local terms energy: -321.271276
where:
bonds (distance) C4'-P energy: -77.079
bonds (distance) P-C4' energy: -60.318
flat angles C4'-P-C4' energy: -69.489
flat angles P-C4'-P energy: -40.518
tors. eta vs tors. theta energy: -73.866
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: 387
Temperature: 1.250000
Total energy: -880.687642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -880.687642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -880.687642 (E_RNA)
where:
Base-Base interactions energy: -587.716
where: short stacking energy: -256.085
Base-Backbone interact. energy: -1.699
local terms energy: -291.272513
where:
bonds (distance) C4'-P energy: -60.123
bonds (distance) P-C4' energy: -75.188
flat angles C4'-P-C4' energy: -51.785
flat angles P-C4'-P energy: -40.754
tors. eta vs tors. theta energy: -63.423
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: 9, replica: 10
=====================================
Write number: 387
Temperature: 1.300000
Total energy: -723.801267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -723.801267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -723.801267 (E_RNA)
where:
Base-Base interactions energy: -481.279
where: short stacking energy: -216.111
Base-Backbone interact. energy: 2.863
local terms energy: -245.385088
where:
bonds (distance) C4'-P energy: -58.662
bonds (distance) P-C4' energy: -68.310
flat angles C4'-P-C4' energy: -58.397
flat angles P-C4'-P energy: -32.167
tors. eta vs tors. theta energy: -27.849
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: 4
=====================================
Write number: 387
Temperature: 1.350000
Total energy: -459.664685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.664685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.664685 (E_RNA)
where:
Base-Base interactions energy: -233.881
where: short stacking energy: -110.343
Base-Backbone interact. energy: 2.129
local terms energy: -227.912959
where:
bonds (distance) C4'-P energy: -65.081
bonds (distance) P-C4' energy: -64.147
flat angles C4'-P-C4' energy: -61.374
flat angles P-C4'-P energy: -46.339
tors. eta vs tors. theta energy: 9.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 388
Temperature: 0.900000
Total energy: -1400.519200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1400.519200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1400.519200 (E_RNA)
where:
Base-Base interactions energy: -986.013
where: short stacking energy: -411.278
Base-Backbone interact. energy: -2.279
local terms energy: -412.226940
where:
bonds (distance) C4'-P energy: -75.782
bonds (distance) P-C4' energy: -74.276
flat angles C4'-P-C4' energy: -75.698
flat angles P-C4'-P energy: -67.260
tors. eta vs tors. theta energy: -119.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 388
Temperature: 0.950000
Total energy: -1344.926595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1344.926595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1344.926595 (E_RNA)
where:
Base-Base interactions energy: -943.274
where: short stacking energy: -398.604
Base-Backbone interact. energy: -1.427
local terms energy: -400.225574
where:
bonds (distance) C4'-P energy: -71.972
bonds (distance) P-C4' energy: -78.749
flat angles C4'-P-C4' energy: -83.717
flat angles P-C4'-P energy: -58.416
tors. eta vs tors. theta energy: -107.371
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: 8
=====================================
Write number: 388
Temperature: 1.000000
Total energy: -1317.090989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1317.090989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1317.090989 (E_RNA)
where:
Base-Base interactions energy: -915.586
where: short stacking energy: -412.485
Base-Backbone interact. energy: -1.600
local terms energy: -399.904368
where:
bonds (distance) C4'-P energy: -72.064
bonds (distance) P-C4' energy: -71.745
flat angles C4'-P-C4' energy: -85.440
flat angles P-C4'-P energy: -49.613
tors. eta vs tors. theta energy: -121.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 388
Temperature: 1.050000
Total energy: -1258.674885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1258.674885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1258.674885 (E_RNA)
where:
Base-Base interactions energy: -886.731
where: short stacking energy: -341.412
Base-Backbone interact. energy: -0.153
local terms energy: -371.790328
where:
bonds (distance) C4'-P energy: -79.591
bonds (distance) P-C4' energy: -68.325
flat angles C4'-P-C4' energy: -73.721
flat angles P-C4'-P energy: -55.139
tors. eta vs tors. theta energy: -95.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 388
Temperature: 1.100000
Total energy: -1158.560139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1158.560139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1158.560139 (E_RNA)
where:
Base-Base interactions energy: -805.094
where: short stacking energy: -332.029
Base-Backbone interact. energy: 0.469
local terms energy: -353.935330
where:
bonds (distance) C4'-P energy: -65.688
bonds (distance) P-C4' energy: -71.574
flat angles C4'-P-C4' energy: -73.085
flat angles P-C4'-P energy: -50.797
tors. eta vs tors. theta energy: -92.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 388
Temperature: 1.150000
Total energy: -1123.452418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1123.452418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1123.452418 (E_RNA)
where:
Base-Base interactions energy: -785.911
where: short stacking energy: -313.855
Base-Backbone interact. energy: -1.736
local terms energy: -336.660600
where:
bonds (distance) C4'-P energy: -63.478
bonds (distance) P-C4' energy: -68.717
flat angles C4'-P-C4' energy: -69.286
flat angles P-C4'-P energy: -52.915
tors. eta vs tors. theta energy: -82.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.855 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 388
Temperature: 1.200000
Total energy: -939.038726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -939.038726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -939.038726 (E_RNA)
where:
Base-Base interactions energy: -633.866
where: short stacking energy: -272.963
Base-Backbone interact. energy: -1.145
local terms energy: -304.027208
where:
bonds (distance) C4'-P energy: -64.700
bonds (distance) P-C4' energy: -60.344
flat angles C4'-P-C4' energy: -71.004
flat angles P-C4'-P energy: -39.426
tors. eta vs tors. theta energy: -68.554
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: 388
Temperature: 1.250000
Total energy: -939.854757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -939.854757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -939.854757 (E_RNA)
where:
Base-Base interactions energy: -640.629
where: short stacking energy: -260.727
Base-Backbone interact. energy: -1.955
local terms energy: -297.270787
where:
bonds (distance) C4'-P energy: -51.271
bonds (distance) P-C4' energy: -63.138
flat angles C4'-P-C4' energy: -68.048
flat angles P-C4'-P energy: -43.954
tors. eta vs tors. theta energy: -70.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 388
Temperature: 1.300000
Total energy: -706.220355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -706.220355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -706.220355 (E_RNA)
where:
Base-Base interactions energy: -447.857
where: short stacking energy: -206.246
Base-Backbone interact. energy: 2.196
local terms energy: -262.806103
where:
bonds (distance) C4'-P energy: -57.944
bonds (distance) P-C4' energy: -72.546
flat angles C4'-P-C4' energy: -68.405
flat angles P-C4'-P energy: -26.068
tors. eta vs tors. theta energy: -37.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 2.247 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 388
Temperature: 1.350000
Total energy: -497.472017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.472017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.472017 (E_RNA)
where:
Base-Base interactions energy: -292.173
where: short stacking energy: -127.706
Base-Backbone interact. energy: 0.497
local terms energy: -205.796144
where:
bonds (distance) C4'-P energy: -52.749
bonds (distance) P-C4' energy: -69.001
flat angles C4'-P-C4' energy: -58.922
flat angles P-C4'-P energy: -15.924
tors. eta vs tors. theta energy: -9.200
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: 5
=====================================
Write number: 389
Temperature: 0.900000
Total energy: -1388.426351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1388.426351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1388.426351 (E_RNA)
where:
Base-Base interactions energy: -978.135
where: short stacking energy: -398.016
Base-Backbone interact. energy: 0.584
local terms energy: -410.875318
where:
bonds (distance) C4'-P energy: -78.767
bonds (distance) P-C4' energy: -82.220
flat angles C4'-P-C4' energy: -89.821
flat angles P-C4'-P energy: -50.327
tors. eta vs tors. theta energy: -109.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 389
Temperature: 0.950000
Total energy: -1342.221780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1342.221780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1342.221780 (E_RNA)
where:
Base-Base interactions energy: -964.574
where: short stacking energy: -395.697
Base-Backbone interact. energy: 0.379
local terms energy: -378.026708
where:
bonds (distance) C4'-P energy: -66.619
bonds (distance) P-C4' energy: -67.347
flat angles C4'-P-C4' energy: -77.637
flat angles P-C4'-P energy: -61.539
tors. eta vs tors. theta energy: -104.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 389
Temperature: 1.000000
Total energy: -1315.684379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1315.684379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1315.684379 (E_RNA)
where:
Base-Base interactions energy: -903.740
where: short stacking energy: -395.754
Base-Backbone interact. energy: -2.365
local terms energy: -409.578982
where:
bonds (distance) C4'-P energy: -73.542
bonds (distance) P-C4' energy: -73.610
flat angles C4'-P-C4' energy: -89.204
flat angles P-C4'-P energy: -56.200
tors. eta vs tors. theta energy: -117.023
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: 4, replica: 6
=====================================
Write number: 389
Temperature: 1.050000
Total energy: -1253.504411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1253.504411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1253.504411 (E_RNA)
where:
Base-Base interactions energy: -875.054
where: short stacking energy: -348.139
Base-Backbone interact. energy: 0.393
local terms energy: -378.843721
where:
bonds (distance) C4'-P energy: -78.657
bonds (distance) P-C4' energy: -67.959
flat angles C4'-P-C4' energy: -73.871
flat angles P-C4'-P energy: -54.516
tors. eta vs tors. theta energy: -103.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 389
Temperature: 1.100000
Total energy: -1173.700438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1173.700438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1173.700438 (E_RNA)
where:
Base-Base interactions energy: -801.864
where: short stacking energy: -338.094
Base-Backbone interact. energy: -1.236
local terms energy: -370.600901
where:
bonds (distance) C4'-P energy: -57.343
bonds (distance) P-C4' energy: -74.978
flat angles C4'-P-C4' energy: -82.596
flat angles P-C4'-P energy: -60.437
tors. eta vs tors. theta energy: -95.248
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: 6, replica: 9
=====================================
Write number: 389
Temperature: 1.150000
Total energy: -1146.502426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1146.502426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1146.502426 (E_RNA)
where:
Base-Base interactions energy: -794.462
where: short stacking energy: -327.025
Base-Backbone interact. energy: 0.409
local terms energy: -352.450063
where:
bonds (distance) C4'-P energy: -73.454
bonds (distance) P-C4' energy: -81.644
flat angles C4'-P-C4' energy: -66.807
flat angles P-C4'-P energy: -46.494
tors. eta vs tors. theta energy: -84.050
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: 7, replica: 1
=====================================
Write number: 389
Temperature: 1.200000
Total energy: -941.405772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -941.405772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -941.405772 (E_RNA)
where:
Base-Base interactions energy: -644.938
where: short stacking energy: -271.035
Base-Backbone interact. energy: -0.866
local terms energy: -295.600858
where:
bonds (distance) C4'-P energy: -70.290
bonds (distance) P-C4' energy: -39.626
flat angles C4'-P-C4' energy: -63.350
flat angles P-C4'-P energy: -48.221
tors. eta vs tors. theta energy: -74.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 389
Temperature: 1.250000
Total energy: -873.667025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -873.667025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -873.667025 (E_RNA)
where:
Base-Base interactions energy: -565.560
where: short stacking energy: -246.280
Base-Backbone interact. energy: -0.997
local terms energy: -307.109876
where:
bonds (distance) C4'-P energy: -67.206
bonds (distance) P-C4' energy: -65.700
flat angles C4'-P-C4' energy: -69.128
flat angles P-C4'-P energy: -45.515
tors. eta vs tors. theta energy: -59.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 389
Temperature: 1.300000
Total energy: -714.511527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -714.511527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -714.511527 (E_RNA)
where:
Base-Base interactions energy: -440.478
where: short stacking energy: -191.689
Base-Backbone interact. energy: -2.615
local terms energy: -271.418967
where:
bonds (distance) C4'-P energy: -60.901
bonds (distance) P-C4' energy: -69.852
flat angles C4'-P-C4' energy: -68.452
flat angles P-C4'-P energy: -46.237
tors. eta vs tors. theta energy: -25.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 389
Temperature: 1.350000
Total energy: -500.720996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.720996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.720996 (E_RNA)
where:
Base-Base interactions energy: -266.626
where: short stacking energy: -141.430
Base-Backbone interact. energy: 0.113
local terms energy: -234.207696
where:
bonds (distance) C4'-P energy: -61.708
bonds (distance) P-C4' energy: -62.091
flat angles C4'-P-C4' energy: -55.611
flat angles P-C4'-P energy: -48.858
tors. eta vs tors. theta energy: -5.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 390
Temperature: 0.900000
Total energy: -1395.529785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1395.529785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1395.529785 (E_RNA)
where:
Base-Base interactions energy: -980.749
where: short stacking energy: -418.060
Base-Backbone interact. energy: -2.210
local terms energy: -412.570447
where:
bonds (distance) C4'-P energy: -81.044
bonds (distance) P-C4' energy: -74.055
flat angles C4'-P-C4' energy: -80.706
flat angles P-C4'-P energy: -64.558
tors. eta vs tors. theta energy: -112.207
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: 390
Temperature: 0.950000
Total energy: -1345.444725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1345.444725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1345.444725 (E_RNA)
where:
Base-Base interactions energy: -957.279
where: short stacking energy: -392.623
Base-Backbone interact. energy: -1.770
local terms energy: -386.396416
where:
bonds (distance) C4'-P energy: -73.524
bonds (distance) P-C4' energy: -64.177
flat angles C4'-P-C4' energy: -87.818
flat angles P-C4'-P energy: -54.602
tors. eta vs tors. theta energy: -106.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 390
Temperature: 1.000000
Total energy: -1309.812946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1309.812946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1309.812946 (E_RNA)
where:
Base-Base interactions energy: -912.107
where: short stacking energy: -386.859
Base-Backbone interact. energy: -2.005
local terms energy: -395.700367
where:
bonds (distance) C4'-P energy: -61.617
bonds (distance) P-C4' energy: -80.681
flat angles C4'-P-C4' energy: -77.315
flat angles P-C4'-P energy: -58.257
tors. eta vs tors. theta energy: -117.831
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: 6
=====================================
Write number: 390
Temperature: 1.050000
Total energy: -1253.144096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1253.144096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1253.144096 (E_RNA)
where:
Base-Base interactions energy: -876.602
where: short stacking energy: -355.718
Base-Backbone interact. energy: 5.120
local terms energy: -381.662252
where:
bonds (distance) C4'-P energy: -75.888
bonds (distance) P-C4' energy: -81.958
flat angles C4'-P-C4' energy: -82.747
flat angles P-C4'-P energy: -50.773
tors. eta vs tors. theta energy: -90.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 390
Temperature: 1.100000
Total energy: -1180.516828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1180.516828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1180.516828 (E_RNA)
where:
Base-Base interactions energy: -824.139
where: short stacking energy: -365.831
Base-Backbone interact. energy: 1.407
local terms energy: -357.784699
where:
bonds (distance) C4'-P energy: -57.491
bonds (distance) P-C4' energy: -63.631
flat angles C4'-P-C4' energy: -77.717
flat angles P-C4'-P energy: -54.674
tors. eta vs tors. theta energy: -104.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 390
Temperature: 1.150000
Total energy: -1122.706908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1122.706908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1122.706908 (E_RNA)
where:
Base-Base interactions energy: -769.849
where: short stacking energy: -327.415
Base-Backbone interact. energy: -1.286
local terms energy: -351.571994
where:
bonds (distance) C4'-P energy: -67.220
bonds (distance) P-C4' energy: -63.523
flat angles C4'-P-C4' energy: -83.226
flat angles P-C4'-P energy: -51.622
tors. eta vs tors. theta energy: -85.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 390
Temperature: 1.200000
Total energy: -893.888587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -893.888587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -893.888587 (E_RNA)
where:
Base-Base interactions energy: -602.186
where: short stacking energy: -263.623
Base-Backbone interact. energy: -0.776
local terms energy: -290.926569
where:
bonds (distance) C4'-P energy: -67.449
bonds (distance) P-C4' energy: -64.049
flat angles C4'-P-C4' energy: -65.734
flat angles P-C4'-P energy: -39.681
tors. eta vs tors. theta energy: -54.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 390
Temperature: 1.250000
Total energy: -893.841495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -893.841495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -893.841495 (E_RNA)
where:
Base-Base interactions energy: -590.506
where: short stacking energy: -236.694
Base-Backbone interact. energy: 0.370
local terms energy: -303.704944
where:
bonds (distance) C4'-P energy: -73.138
bonds (distance) P-C4' energy: -75.065
flat angles C4'-P-C4' energy: -60.558
flat angles P-C4'-P energy: -44.745
tors. eta vs tors. theta energy: -50.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 390
Temperature: 1.300000
Total energy: -701.128985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -701.128985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -701.128985 (E_RNA)
where:
Base-Base interactions energy: -441.727
where: short stacking energy: -206.382
Base-Backbone interact. energy: 0.325
local terms energy: -259.727241
where:
bonds (distance) C4'-P energy: -55.180
bonds (distance) P-C4' energy: -71.283
flat angles C4'-P-C4' energy: -57.420
flat angles P-C4'-P energy: -40.204
tors. eta vs tors. theta energy: -35.641
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: 10, replica: 4
=====================================
Write number: 390
Temperature: 1.350000
Total energy: -483.333598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.333598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.333598 (E_RNA)
where:
Base-Base interactions energy: -255.485
where: short stacking energy: -162.689
Base-Backbone interact. energy: -1.976
local terms energy: -225.872669
where:
bonds (distance) C4'-P energy: -66.807
bonds (distance) P-C4' energy: -36.889
flat angles C4'-P-C4' energy: -63.271
flat angles P-C4'-P energy: -34.527
tors. eta vs tors. theta energy: -24.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 391
Temperature: 0.900000
Total energy: -1408.546908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1408.546908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1408.546908 (E_RNA)
where:
Base-Base interactions energy: -1002.424
where: short stacking energy: -413.335
Base-Backbone interact. energy: -2.873
local terms energy: -403.250028
where:
bonds (distance) C4'-P energy: -69.540
bonds (distance) P-C4' energy: -79.351
flat angles C4'-P-C4' energy: -80.588
flat angles P-C4'-P energy: -60.431
tors. eta vs tors. theta energy: -113.339
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: 3
=====================================
Write number: 391
Temperature: 0.950000
Total energy: -1311.447133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1311.447133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1311.447133 (E_RNA)
where:
Base-Base interactions energy: -911.890
where: short stacking energy: -378.732
Base-Backbone interact. energy: -1.622
local terms energy: -397.935546
where:
bonds (distance) C4'-P energy: -70.490
bonds (distance) P-C4' energy: -77.177
flat angles C4'-P-C4' energy: -78.952
flat angles P-C4'-P energy: -59.819
tors. eta vs tors. theta energy: -111.497
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: 8
=====================================
Write number: 391
Temperature: 1.000000
Total energy: -1311.352798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1311.352798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1311.352798 (E_RNA)
where:
Base-Base interactions energy: -911.317
where: short stacking energy: -391.329
Base-Backbone interact. energy: -1.536
local terms energy: -398.499966
where:
bonds (distance) C4'-P energy: -69.759
bonds (distance) P-C4' energy: -80.433
flat angles C4'-P-C4' energy: -83.955
flat angles P-C4'-P energy: -44.532
tors. eta vs tors. theta energy: -119.821
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: 4, replica: 6
=====================================
Write number: 391
Temperature: 1.050000
Total energy: -1263.634434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1263.634434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1263.634434 (E_RNA)
where:
Base-Base interactions energy: -886.582
where: short stacking energy: -343.130
Base-Backbone interact. energy: -0.606
local terms energy: -376.446088
where:
bonds (distance) C4'-P energy: -72.900
bonds (distance) P-C4' energy: -72.682
flat angles C4'-P-C4' energy: -84.217
flat angles P-C4'-P energy: -53.059
tors. eta vs tors. theta energy: -93.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 391
Temperature: 1.100000
Total energy: -1175.045807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1175.045807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1175.045807 (E_RNA)
where:
Base-Base interactions energy: -816.987
where: short stacking energy: -333.378
Base-Backbone interact. energy: -0.870
local terms energy: -357.188383
where:
bonds (distance) C4'-P energy: -65.015
bonds (distance) P-C4' energy: -73.758
flat angles C4'-P-C4' energy: -65.457
flat angles P-C4'-P energy: -56.561
tors. eta vs tors. theta energy: -96.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 391
Temperature: 1.150000
Total energy: -1146.910179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1146.910179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1146.910179 (E_RNA)
where:
Base-Base interactions energy: -821.450
where: short stacking energy: -317.375
Base-Backbone interact. energy: -3.190
local terms energy: -322.270217
where:
bonds (distance) C4'-P energy: -66.983
bonds (distance) P-C4' energy: -58.047
flat angles C4'-P-C4' energy: -76.655
flat angles P-C4'-P energy: -41.135
tors. eta vs tors. theta energy: -79.450
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: 391
Temperature: 1.200000
Total energy: -879.380439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -879.380439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -879.380439 (E_RNA)
where:
Base-Base interactions energy: -577.871
where: short stacking energy: -229.561
Base-Backbone interact. energy: -0.409
local terms energy: -301.100384
where:
bonds (distance) C4'-P energy: -71.103
bonds (distance) P-C4' energy: -65.699
flat angles C4'-P-C4' energy: -68.529
flat angles P-C4'-P energy: -34.468
tors. eta vs tors. theta energy: -61.302
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: 1
=====================================
Write number: 391
Temperature: 1.250000
Total energy: -844.851473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -844.851473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -844.851473 (E_RNA)
where:
Base-Base interactions energy: -564.662
where: short stacking energy: -229.968
Base-Backbone interact. energy: -1.615
local terms energy: -278.574229
where:
bonds (distance) C4'-P energy: -69.935
bonds (distance) P-C4' energy: -55.122
flat angles C4'-P-C4' energy: -69.892
flat angles P-C4'-P energy: -28.829
tors. eta vs tors. theta energy: -54.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 391
Temperature: 1.300000
Total energy: -689.442174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -689.442174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -689.442174 (E_RNA)
where:
Base-Base interactions energy: -426.921
where: short stacking energy: -187.767
Base-Backbone interact. energy: -1.751
local terms energy: -260.770452
where:
bonds (distance) C4'-P energy: -71.775
bonds (distance) P-C4' energy: -55.604
flat angles C4'-P-C4' energy: -59.738
flat angles P-C4'-P energy: -43.314
tors. eta vs tors. theta energy: -30.340
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: 4
=====================================
Write number: 391
Temperature: 1.350000
Total energy: -434.528484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.528484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.528484 (E_RNA)
where:
Base-Base interactions energy: -229.781
where: short stacking energy: -126.359
Base-Backbone interact. energy: -1.053
local terms energy: -203.694913
where:
bonds (distance) C4'-P energy: -69.568
bonds (distance) P-C4' energy: -56.808
flat angles C4'-P-C4' energy: -66.221
flat angles P-C4'-P energy: -18.865
tors. eta vs tors. theta energy: 7.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 392
Temperature: 0.900000
Total energy: -1398.860775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1398.860775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1398.860775 (E_RNA)
where:
Base-Base interactions energy: -998.124
where: short stacking energy: -407.394
Base-Backbone interact. energy: -1.262
local terms energy: -399.474789
where:
bonds (distance) C4'-P energy: -69.388
bonds (distance) P-C4' energy: -74.802
flat angles C4'-P-C4' energy: -81.216
flat angles P-C4'-P energy: -57.247
tors. eta vs tors. theta energy: -116.822
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: 3
=====================================
Write number: 392
Temperature: 0.950000
Total energy: -1329.050396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1329.050396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1329.050396 (E_RNA)
where:
Base-Base interactions energy: -938.237
where: short stacking energy: -398.778
Base-Backbone interact. energy: 0.432
local terms energy: -391.245453
where:
bonds (distance) C4'-P energy: -64.831
bonds (distance) P-C4' energy: -76.244
flat angles C4'-P-C4' energy: -84.707
flat angles P-C4'-P energy: -61.144
tors. eta vs tors. theta energy: -104.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 392
Temperature: 1.000000
Total energy: -1292.747845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1292.747845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1292.747845 (E_RNA)
where:
Base-Base interactions energy: -918.918
where: short stacking energy: -360.538
Base-Backbone interact. energy: 0.209
local terms energy: -374.039229
where:
bonds (distance) C4'-P energy: -65.660
bonds (distance) P-C4' energy: -75.967
flat angles C4'-P-C4' energy: -81.947
flat angles P-C4'-P energy: -48.607
tors. eta vs tors. theta energy: -101.858
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: 8
=====================================
Write number: 392
Temperature: 1.050000
Total energy: -1269.549806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1269.549806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1269.549806 (E_RNA)
where:
Base-Base interactions energy: -875.084
where: short stacking energy: -370.748
Base-Backbone interact. energy: -3.296
local terms energy: -391.170281
where:
bonds (distance) C4'-P energy: -60.211
bonds (distance) P-C4' energy: -77.212
flat angles C4'-P-C4' energy: -83.392
flat angles P-C4'-P energy: -54.083
tors. eta vs tors. theta energy: -116.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 392
Temperature: 1.100000
Total energy: -1194.314207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1194.314207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1194.314207 (E_RNA)
where:
Base-Base interactions energy: -811.051
where: short stacking energy: -338.834
Base-Backbone interact. energy: -0.989
local terms energy: -382.274421
where:
bonds (distance) C4'-P energy: -71.490
bonds (distance) P-C4' energy: -76.403
flat angles C4'-P-C4' energy: -83.908
flat angles P-C4'-P energy: -50.836
tors. eta vs tors. theta energy: -99.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 392
Temperature: 1.150000
Total energy: -1134.961229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1134.961229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1134.961229 (E_RNA)
where:
Base-Base interactions energy: -783.620
where: short stacking energy: -320.060
Base-Backbone interact. energy: -1.825
local terms energy: -349.515746
where:
bonds (distance) C4'-P energy: -68.683
bonds (distance) P-C4' energy: -66.514
flat angles C4'-P-C4' energy: -77.672
flat angles P-C4'-P energy: -44.787
tors. eta vs tors. theta energy: -91.861
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: 1
=====================================
Write number: 392
Temperature: 1.200000
Total energy: -867.829587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -867.829587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -867.829587 (E_RNA)
where:
Base-Base interactions energy: -572.262
where: short stacking energy: -234.689
Base-Backbone interact. energy: -1.260
local terms energy: -294.307452
where:
bonds (distance) C4'-P energy: -57.781
bonds (distance) P-C4' energy: -72.602
flat angles C4'-P-C4' energy: -67.642
flat angles P-C4'-P energy: -41.429
tors. eta vs tors. theta energy: -54.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 392
Temperature: 1.250000
Total energy: -908.837594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -908.837594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -908.837594 (E_RNA)
where:
Base-Base interactions energy: -599.012
where: short stacking energy: -267.492
Base-Backbone interact. energy: -1.323
local terms energy: -308.503090
where:
bonds (distance) C4'-P energy: -64.626
bonds (distance) P-C4' energy: -55.222
flat angles C4'-P-C4' energy: -72.497
flat angles P-C4'-P energy: -48.496
tors. eta vs tors. theta energy: -67.662
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: 10
=====================================
Write number: 392
Temperature: 1.300000
Total energy: -711.537238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -711.537238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -711.537238 (E_RNA)
where:
Base-Base interactions energy: -459.192
where: short stacking energy: -217.296
Base-Backbone interact. energy: -1.082
local terms energy: -251.263048
where:
bonds (distance) C4'-P energy: -65.598
bonds (distance) P-C4' energy: -59.767
flat angles C4'-P-C4' energy: -48.362
flat angles P-C4'-P energy: -35.852
tors. eta vs tors. theta energy: -41.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 392
Temperature: 1.350000
Total energy: -453.661001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.661001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.661001 (E_RNA)
where:
Base-Base interactions energy: -230.938
where: short stacking energy: -129.626
Base-Backbone interact. energy: 0.041
local terms energy: -222.764123
where:
bonds (distance) C4'-P energy: -67.349
bonds (distance) P-C4' energy: -60.943
flat angles C4'-P-C4' energy: -55.805
flat angles P-C4'-P energy: -32.637
tors. eta vs tors. theta energy: -6.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 393
Temperature: 0.900000
Total energy: -1414.090259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1414.090259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1414.090259 (E_RNA)
where:
Base-Base interactions energy: -1002.737
where: short stacking energy: -417.240
Base-Backbone interact. energy: -2.340
local terms energy: -409.013255
where:
bonds (distance) C4'-P energy: -73.816
bonds (distance) P-C4' energy: -80.439
flat angles C4'-P-C4' energy: -81.656
flat angles P-C4'-P energy: -59.311
tors. eta vs tors. theta energy: -113.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 393
Temperature: 0.950000
Total energy: -1316.052502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1316.052502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1316.052502 (E_RNA)
where:
Base-Base interactions energy: -917.213
where: short stacking energy: -364.024
Base-Backbone interact. energy: -4.389
local terms energy: -394.450474
where:
bonds (distance) C4'-P energy: -83.703
bonds (distance) P-C4' energy: -85.851
flat angles C4'-P-C4' energy: -85.367
flat angles P-C4'-P energy: -40.139
tors. eta vs tors. theta energy: -99.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 393
Temperature: 1.000000
Total energy: -1298.909869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1298.909869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1298.909869 (E_RNA)
where:
Base-Base interactions energy: -914.704
where: short stacking energy: -392.889
Base-Backbone interact. energy: -0.295
local terms energy: -383.910870
where:
bonds (distance) C4'-P energy: -60.497
bonds (distance) P-C4' energy: -68.579
flat angles C4'-P-C4' energy: -82.799
flat angles P-C4'-P energy: -60.073
tors. eta vs tors. theta energy: -111.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 393
Temperature: 1.050000
Total energy: -1279.067103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1279.067103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1279.067103 (E_RNA)
where:
Base-Base interactions energy: -875.534
where: short stacking energy: -382.365
Base-Backbone interact. energy: -1.664
local terms energy: -401.869149
where:
bonds (distance) C4'-P energy: -68.774
bonds (distance) P-C4' energy: -74.779
flat angles C4'-P-C4' energy: -85.969
flat angles P-C4'-P energy: -54.161
tors. eta vs tors. theta energy: -118.185
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: 9
=====================================
Write number: 393
Temperature: 1.100000
Total energy: -1189.623053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1189.623053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1189.623053 (E_RNA)
where:
Base-Base interactions energy: -847.080
where: short stacking energy: -354.619
Base-Backbone interact. energy: -0.997
local terms energy: -341.545810
where:
bonds (distance) C4'-P energy: -47.687
bonds (distance) P-C4' energy: -76.093
flat angles C4'-P-C4' energy: -70.937
flat angles P-C4'-P energy: -60.062
tors. eta vs tors. theta energy: -86.766
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: 7
=====================================
Write number: 393
Temperature: 1.150000
Total energy: -1157.052430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1157.052430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1157.052430 (E_RNA)
where:
Base-Base interactions energy: -783.726
where: short stacking energy: -320.696
Base-Backbone interact. energy: -2.863
local terms energy: -370.463549
where:
bonds (distance) C4'-P energy: -66.910
bonds (distance) P-C4' energy: -79.173
flat angles C4'-P-C4' energy: -77.895
flat angles P-C4'-P energy: -51.471
tors. eta vs tors. theta energy: -95.015
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: 1
=====================================
Write number: 393
Temperature: 1.200000
Total energy: -926.402224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -926.402224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -926.402224 (E_RNA)
where:
Base-Base interactions energy: -600.826
where: short stacking energy: -274.446
Base-Backbone interact. energy: -1.708
local terms energy: -323.868427
where:
bonds (distance) C4'-P energy: -67.236
bonds (distance) P-C4' energy: -72.316
flat angles C4'-P-C4' energy: -75.101
flat angles P-C4'-P energy: -40.598
tors. eta vs tors. theta energy: -68.617
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: 2
=====================================
Write number: 393
Temperature: 1.250000
Total energy: -868.441331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -868.441331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -868.441331 (E_RNA)
where:
Base-Base interactions energy: -561.647
where: short stacking energy: -258.557
Base-Backbone interact. energy: 0.699
local terms energy: -307.493221
where:
bonds (distance) C4'-P energy: -66.125
bonds (distance) P-C4' energy: -63.892
flat angles C4'-P-C4' energy: -67.309
flat angles P-C4'-P energy: -46.602
tors. eta vs tors. theta energy: -63.565
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: 9, replica: 10
=====================================
Write number: 393
Temperature: 1.300000
Total energy: -665.819779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -665.819779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -665.819779 (E_RNA)
where:
Base-Base interactions energy: -433.064
where: short stacking energy: -186.284
Base-Backbone interact. energy: 0.437
local terms energy: -233.519606
where:
bonds (distance) C4'-P energy: -50.596
bonds (distance) P-C4' energy: -65.439
flat angles C4'-P-C4' energy: -65.349
flat angles P-C4'-P energy: -27.495
tors. eta vs tors. theta energy: -24.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.327 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 393
Temperature: 1.350000
Total energy: -475.675189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.675189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.675189 (E_RNA)
where:
Base-Base interactions energy: -249.616
where: short stacking energy: -121.431
Base-Backbone interact. energy: -0.863
local terms energy: -225.195881
where:
bonds (distance) C4'-P energy: -60.607
bonds (distance) P-C4' energy: -59.740
flat angles C4'-P-C4' energy: -61.965
flat angles P-C4'-P energy: -35.298
tors. eta vs tors. theta energy: -7.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 394
Temperature: 0.900000
Total energy: -1392.896640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1392.896640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1392.896640 (E_RNA)
where:
Base-Base interactions energy: -968.935
where: short stacking energy: -414.728
Base-Backbone interact. energy: -0.713
local terms energy: -423.248342
where:
bonds (distance) C4'-P energy: -74.801
bonds (distance) P-C4' energy: -78.992
flat angles C4'-P-C4' energy: -91.353
flat angles P-C4'-P energy: -61.434
tors. eta vs tors. theta energy: -116.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 394
Temperature: 0.950000
Total energy: -1313.327706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1313.327706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1313.327706 (E_RNA)
where:
Base-Base interactions energy: -916.896
where: short stacking energy: -351.250
Base-Backbone interact. energy: -0.869
local terms energy: -395.562246
where:
bonds (distance) C4'-P energy: -73.875
bonds (distance) P-C4' energy: -82.694
flat angles C4'-P-C4' energy: -87.188
flat angles P-C4'-P energy: -57.903
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: 3, replica: 8
=====================================
Write number: 394
Temperature: 1.000000
Total energy: -1303.694294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1303.694294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1303.694294 (E_RNA)
where:
Base-Base interactions energy: -881.513
where: short stacking energy: -375.464
Base-Backbone interact. energy: -3.979
local terms energy: -418.201629
where:
bonds (distance) C4'-P energy: -76.513
bonds (distance) P-C4' energy: -83.758
flat angles C4'-P-C4' energy: -78.792
flat angles P-C4'-P energy: -65.582
tors. eta vs tors. theta energy: -113.557
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: 4, replica: 3
=====================================
Write number: 394
Temperature: 1.050000
Total energy: -1260.375019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1260.375019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1260.375019 (E_RNA)
where:
Base-Base interactions energy: -882.259
where: short stacking energy: -370.048
Base-Backbone interact. energy: -1.392
local terms energy: -376.724148
where:
bonds (distance) C4'-P energy: -76.024
bonds (distance) P-C4' energy: -69.570
flat angles C4'-P-C4' energy: -92.460
flat angles P-C4'-P energy: -40.782
tors. eta vs tors. theta energy: -97.888
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: 9
=====================================
Write number: 394
Temperature: 1.100000
Total energy: -1213.489118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1213.489118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1213.489118 (E_RNA)
where:
Base-Base interactions energy: -851.336
where: short stacking energy: -358.181
Base-Backbone interact. energy: -0.803
local terms energy: -361.350263
where:
bonds (distance) C4'-P energy: -63.277
bonds (distance) P-C4' energy: -73.766
flat angles C4'-P-C4' energy: -77.438
flat angles P-C4'-P energy: -47.111
tors. eta vs tors. theta energy: -99.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 394
Temperature: 1.150000
Total energy: -1112.596402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1112.596402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1112.596402 (E_RNA)
where:
Base-Base interactions energy: -767.279
where: short stacking energy: -313.479
Base-Backbone interact. energy: 2.602
local terms energy: -347.919605
where:
bonds (distance) C4'-P energy: -66.165
bonds (distance) P-C4' energy: -61.106
flat angles C4'-P-C4' energy: -78.124
flat angles P-C4'-P energy: -58.288
tors. eta vs tors. theta energy: -84.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 394
Temperature: 1.200000
Total energy: -904.370591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -904.370591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -904.370591 (E_RNA)
where:
Base-Base interactions energy: -599.141
where: short stacking energy: -279.251
Base-Backbone interact. energy: -1.490
local terms energy: -303.740089
where:
bonds (distance) C4'-P energy: -54.229
bonds (distance) P-C4' energy: -64.413
flat angles C4'-P-C4' energy: -73.594
flat angles P-C4'-P energy: -44.254
tors. eta vs tors. theta energy: -67.250
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: 2
=====================================
Write number: 394
Temperature: 1.250000
Total energy: -855.982397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -855.982397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -855.982397 (E_RNA)
where:
Base-Base interactions energy: -557.550
where: short stacking energy: -248.776
Base-Backbone interact. energy: 0.728
local terms energy: -299.160598
where:
bonds (distance) C4'-P energy: -70.387
bonds (distance) P-C4' energy: -57.026
flat angles C4'-P-C4' energy: -78.690
flat angles P-C4'-P energy: -34.326
tors. eta vs tors. theta energy: -58.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 394
Temperature: 1.300000
Total energy: -714.535300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -714.535300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -714.535300 (E_RNA)
where:
Base-Base interactions energy: -448.805
where: short stacking energy: -192.381
Base-Backbone interact. energy: -2.642
local terms energy: -263.088844
where:
bonds (distance) C4'-P energy: -67.099
bonds (distance) P-C4' energy: -70.222
flat angles C4'-P-C4' energy: -43.939
flat angles P-C4'-P energy: -38.496
tors. eta vs tors. theta energy: -43.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 394
Temperature: 1.350000
Total energy: -504.033454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.033454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.033454 (E_RNA)
where:
Base-Base interactions energy: -273.757
where: short stacking energy: -150.013
Base-Backbone interact. energy: 3.567
local terms energy: -233.843484
where:
bonds (distance) C4'-P energy: -52.912
bonds (distance) P-C4' energy: -65.983
flat angles C4'-P-C4' energy: -59.233
flat angles P-C4'-P energy: -42.082
tors. eta vs tors. theta energy: -13.632
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: 5
=====================================
Write number: 395
Temperature: 0.900000
Total energy: -1409.625376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1409.625376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1409.625376 (E_RNA)
where:
Base-Base interactions energy: -988.386
where: short stacking energy: -415.738
Base-Backbone interact. energy: -2.656
local terms energy: -418.582973
where:
bonds (distance) C4'-P energy: -75.445
bonds (distance) P-C4' energy: -76.947
flat angles C4'-P-C4' energy: -80.968
flat angles P-C4'-P energy: -59.617
tors. eta vs tors. theta energy: -125.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 395
Temperature: 0.950000
Total energy: -1321.623594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1321.623594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1321.623594 (E_RNA)
where:
Base-Base interactions energy: -927.090
where: short stacking energy: -373.700
Base-Backbone interact. energy: -5.573
local terms energy: -388.960916
where:
bonds (distance) C4'-P energy: -73.175
bonds (distance) P-C4' energy: -74.069
flat angles C4'-P-C4' energy: -86.641
flat angles P-C4'-P energy: -55.404
tors. eta vs tors. theta energy: -99.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 395
Temperature: 1.000000
Total energy: -1274.166920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1274.166920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1274.166920 (E_RNA)
where:
Base-Base interactions energy: -866.891
where: short stacking energy: -378.588
Base-Backbone interact. energy: -1.650
local terms energy: -405.626503
where:
bonds (distance) C4'-P energy: -73.283
bonds (distance) P-C4' energy: -79.398
flat angles C4'-P-C4' energy: -81.984
flat angles P-C4'-P energy: -59.906
tors. eta vs tors. theta energy: -111.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 395
Temperature: 1.050000
Total energy: -1239.846173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1239.846173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1239.846173 (E_RNA)
where:
Base-Base interactions energy: -857.051
where: short stacking energy: -363.443
Base-Backbone interact. energy: -0.250
local terms energy: -382.761193
where:
bonds (distance) C4'-P energy: -74.186
bonds (distance) P-C4' energy: -71.146
flat angles C4'-P-C4' energy: -78.440
flat angles P-C4'-P energy: -47.934
tors. eta vs tors. theta energy: -111.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.216 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 395
Temperature: 1.100000
Total energy: -1233.965630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1233.965630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1233.965630 (E_RNA)
where:
Base-Base interactions energy: -869.002
where: short stacking energy: -354.787
Base-Backbone interact. energy: 0.147
local terms energy: -365.110424
where:
bonds (distance) C4'-P energy: -75.774
bonds (distance) P-C4' energy: -69.979
flat angles C4'-P-C4' energy: -74.505
flat angles P-C4'-P energy: -45.706
tors. eta vs tors. theta energy: -99.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 395
Temperature: 1.150000
Total energy: -1070.325189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1070.325189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1070.325189 (E_RNA)
where:
Base-Base interactions energy: -740.355
where: short stacking energy: -287.787
Base-Backbone interact. energy: -0.128
local terms energy: -329.841547
where:
bonds (distance) C4'-P energy: -59.638
bonds (distance) P-C4' energy: -69.879
flat angles C4'-P-C4' energy: -79.585
flat angles P-C4'-P energy: -41.972
tors. eta vs tors. theta energy: -78.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 395
Temperature: 1.200000
Total energy: -909.662716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -909.662716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -909.662716 (E_RNA)
where:
Base-Base interactions energy: -593.257
where: short stacking energy: -276.096
Base-Backbone interact. energy: 0.502
local terms energy: -316.908083
where:
bonds (distance) C4'-P energy: -72.794
bonds (distance) P-C4' energy: -65.557
flat angles C4'-P-C4' energy: -68.568
flat angles P-C4'-P energy: -47.278
tors. eta vs tors. theta energy: -62.712
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: 8, replica: 2
=====================================
Write number: 395
Temperature: 1.250000
Total energy: -889.830581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -889.830581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -889.830581 (E_RNA)
where:
Base-Base interactions energy: -599.778
where: short stacking energy: -264.738
Base-Backbone interact. energy: 1.058
local terms energy: -291.110773
where:
bonds (distance) C4'-P energy: -49.263
bonds (distance) P-C4' energy: -65.200
flat angles C4'-P-C4' energy: -66.905
flat angles P-C4'-P energy: -40.923
tors. eta vs tors. theta energy: -68.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 395
Temperature: 1.300000
Total energy: -729.494195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -729.494195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -729.494195 (E_RNA)
where:
Base-Base interactions energy: -441.697
where: short stacking energy: -219.088
Base-Backbone interact. energy: -2.912
local terms energy: -284.884518
where:
bonds (distance) C4'-P energy: -62.988
bonds (distance) P-C4' energy: -65.783
flat angles C4'-P-C4' energy: -66.686
flat angles P-C4'-P energy: -47.589
tors. eta vs tors. theta energy: -41.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 395
Temperature: 1.350000
Total energy: -493.698354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.698354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.698354 (E_RNA)
where:
Base-Base interactions energy: -270.434
where: short stacking energy: -155.772
Base-Backbone interact. energy: 0.293
local terms energy: -223.557247
where:
bonds (distance) C4'-P energy: -62.185
bonds (distance) P-C4' energy: -72.739
flat angles C4'-P-C4' energy: -47.540
flat angles P-C4'-P energy: -38.639
tors. eta vs tors. theta energy: -2.454
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: 5
=====================================
Write number: 396
Temperature: 0.900000
Total energy: -1420.603161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1420.603161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1420.603161 (E_RNA)
where:
Base-Base interactions energy: -1000.596
where: short stacking energy: -414.819
Base-Backbone interact. energy: 0.950
local terms energy: -420.957235
where:
bonds (distance) C4'-P energy: -82.566
bonds (distance) P-C4' energy: -83.407
flat angles C4'-P-C4' energy: -86.403
flat angles P-C4'-P energy: -48.840
tors. eta vs tors. theta energy: -119.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 396
Temperature: 0.950000
Total energy: -1340.107179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1340.107179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1340.107179 (E_RNA)
where:
Base-Base interactions energy: -944.921
where: short stacking energy: -362.076
Base-Backbone interact. energy: -6.292
local terms energy: -388.893819
where:
bonds (distance) C4'-P energy: -73.331
bonds (distance) P-C4' energy: -76.300
flat angles C4'-P-C4' energy: -78.971
flat angles P-C4'-P energy: -56.884
tors. eta vs tors. theta energy: -103.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 396
Temperature: 1.000000
Total energy: -1263.871132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1263.871132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1263.871132 (E_RNA)
where:
Base-Base interactions energy: -871.959
where: short stacking energy: -364.758
Base-Backbone interact. energy: -4.496
local terms energy: -387.415689
where:
bonds (distance) C4'-P energy: -67.820
bonds (distance) P-C4' energy: -74.893
flat angles C4'-P-C4' energy: -85.151
flat angles P-C4'-P energy: -51.856
tors. eta vs tors. theta energy: -107.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 396
Temperature: 1.050000
Total energy: -1253.461566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1253.461566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1253.461566 (E_RNA)
where:
Base-Base interactions energy: -868.034
where: short stacking energy: -361.646
Base-Backbone interact. energy: 1.403
local terms energy: -386.830737
where:
bonds (distance) C4'-P energy: -71.568
bonds (distance) P-C4' energy: -71.998
flat angles C4'-P-C4' energy: -79.719
flat angles P-C4'-P energy: -59.674
tors. eta vs tors. theta energy: -103.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 396
Temperature: 1.100000
Total energy: -1220.186143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1220.186143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1220.186143 (E_RNA)
where:
Base-Base interactions energy: -841.384
where: short stacking energy: -356.880
Base-Backbone interact. energy: -0.860
local terms energy: -377.942235
where:
bonds (distance) C4'-P energy: -59.765
bonds (distance) P-C4' energy: -70.517
flat angles C4'-P-C4' energy: -79.310
flat angles P-C4'-P energy: -58.027
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: 6, replica: 7
=====================================
Write number: 396
Temperature: 1.150000
Total energy: -1106.465150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1106.465150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1106.465150 (E_RNA)
where:
Base-Base interactions energy: -746.620
where: short stacking energy: -316.337
Base-Backbone interact. energy: -0.390
local terms energy: -359.455564
where:
bonds (distance) C4'-P energy: -65.344
bonds (distance) P-C4' energy: -62.621
flat angles C4'-P-C4' energy: -83.561
flat angles P-C4'-P energy: -60.240
tors. eta vs tors. theta energy: -87.689
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: 7, replica: 2
=====================================
Write number: 396
Temperature: 1.200000
Total energy: -920.215180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -920.215180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -920.215180 (E_RNA)
where:
Base-Base interactions energy: -604.492
where: short stacking energy: -278.781
Base-Backbone interact. energy: -0.277
local terms energy: -315.446329
where:
bonds (distance) C4'-P energy: -56.350
bonds (distance) P-C4' energy: -67.448
flat angles C4'-P-C4' energy: -79.592
flat angles P-C4'-P energy: -41.083
tors. eta vs tors. theta energy: -70.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 396
Temperature: 1.250000
Total energy: -866.898019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -866.898019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -866.898019 (E_RNA)
where:
Base-Base interactions energy: -570.487
where: short stacking energy: -235.350
Base-Backbone interact. energy: -1.769
local terms energy: -294.641722
where:
bonds (distance) C4'-P energy: -66.542
bonds (distance) P-C4' energy: -64.546
flat angles C4'-P-C4' energy: -49.010
flat angles P-C4'-P energy: -47.518
tors. eta vs tors. theta energy: -67.024
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: 10
=====================================
Write number: 396
Temperature: 1.300000
Total energy: -681.301396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -681.301396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -681.301396 (E_RNA)
where:
Base-Base interactions energy: -437.082
where: short stacking energy: -195.049
Base-Backbone interact. energy: -1.598
local terms energy: -242.621204
where:
bonds (distance) C4'-P energy: -52.668
bonds (distance) P-C4' energy: -63.436
flat angles C4'-P-C4' energy: -59.915
flat angles P-C4'-P energy: -40.594
tors. eta vs tors. theta energy: -26.008
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: 396
Temperature: 1.350000
Total energy: -470.130695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.130695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.130695 (E_RNA)
where:
Base-Base interactions energy: -256.330
where: short stacking energy: -131.296
Base-Backbone interact. energy: -2.843
local terms energy: -210.957328
where:
bonds (distance) C4'-P energy: -59.039
bonds (distance) P-C4' energy: -65.141
flat angles C4'-P-C4' energy: -44.244
flat angles P-C4'-P energy: -42.004
tors. eta vs tors. theta energy: -0.529
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: 5
=====================================
Write number: 397
Temperature: 0.900000
Total energy: -1391.101564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1391.101564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1391.101564 (E_RNA)
where:
Base-Base interactions energy: -971.970
where: short stacking energy: -418.232
Base-Backbone interact. energy: -1.868
local terms energy: -417.263000
where:
bonds (distance) C4'-P energy: -75.291
bonds (distance) P-C4' energy: -71.969
flat angles C4'-P-C4' energy: -92.810
flat angles P-C4'-P energy: -61.644
tors. eta vs tors. theta energy: -115.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 397
Temperature: 0.950000
Total energy: -1334.750596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1334.750596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1334.750596 (E_RNA)
where:
Base-Base interactions energy: -957.368
where: short stacking energy: -355.069
Base-Backbone interact. energy: -3.233
local terms energy: -374.150321
where:
bonds (distance) C4'-P energy: -78.809
bonds (distance) P-C4' energy: -62.823
flat angles C4'-P-C4' energy: -80.683
flat angles P-C4'-P energy: -50.704
tors. eta vs tors. theta energy: -101.130
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: 3, replica: 9
=====================================
Write number: 397
Temperature: 1.000000
Total energy: -1261.919405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1261.919405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1261.919405 (E_RNA)
where:
Base-Base interactions energy: -872.107
where: short stacking energy: -342.340
Base-Backbone interact. energy: -4.716
local terms energy: -385.096150
where:
bonds (distance) C4'-P energy: -68.020
bonds (distance) P-C4' energy: -79.638
flat angles C4'-P-C4' energy: -90.256
flat angles P-C4'-P energy: -47.923
tors. eta vs tors. theta energy: -99.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 397
Temperature: 1.050000
Total energy: -1247.816101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1247.816101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1247.816101 (E_RNA)
where:
Base-Base interactions energy: -852.869
where: short stacking energy: -387.993
Base-Backbone interact. energy: -2.733
local terms energy: -392.510865
where:
bonds (distance) C4'-P energy: -70.359
bonds (distance) P-C4' energy: -73.658
flat angles C4'-P-C4' energy: -83.195
flat angles P-C4'-P energy: -46.278
tors. eta vs tors. theta energy: -119.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.297 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 397
Temperature: 1.100000
Total energy: -1221.738402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1221.738402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1221.738402 (E_RNA)
where:
Base-Base interactions energy: -863.763
where: short stacking energy: -350.533
Base-Backbone interact. energy: -2.352
local terms energy: -355.623255
where:
bonds (distance) C4'-P energy: -71.830
bonds (distance) P-C4' energy: -69.311
flat angles C4'-P-C4' energy: -72.080
flat angles P-C4'-P energy: -45.533
tors. eta vs tors. theta energy: -96.870
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: 7
=====================================
Write number: 397
Temperature: 1.150000
Total energy: -1104.503068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1104.503068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1104.503068 (E_RNA)
where:
Base-Base interactions energy: -760.709
where: short stacking energy: -330.443
Base-Backbone interact. energy: -0.099
local terms energy: -343.695031
where:
bonds (distance) C4'-P energy: -64.513
bonds (distance) P-C4' energy: -58.966
flat angles C4'-P-C4' energy: -74.693
flat angles P-C4'-P energy: -44.819
tors. eta vs tors. theta energy: -100.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 397
Temperature: 1.200000
Total energy: -949.632151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -949.632151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -949.632151 (E_RNA)
where:
Base-Base interactions energy: -615.905
where: short stacking energy: -261.923
Base-Backbone interact. energy: -4.219
local terms energy: -329.507666
where:
bonds (distance) C4'-P energy: -76.529
bonds (distance) P-C4' energy: -73.748
flat angles C4'-P-C4' energy: -69.942
flat angles P-C4'-P energy: -35.304
tors. eta vs tors. theta energy: -73.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 397
Temperature: 1.250000
Total energy: -881.053578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -881.053578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -881.053578 (E_RNA)
where:
Base-Base interactions energy: -579.291
where: short stacking energy: -258.947
Base-Backbone interact. energy: -0.250
local terms energy: -301.513089
where:
bonds (distance) C4'-P energy: -71.099
bonds (distance) P-C4' energy: -71.290
flat angles C4'-P-C4' energy: -67.485
flat angles P-C4'-P energy: -29.570
tors. eta vs tors. theta energy: -62.070
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: 10
=====================================
Write number: 397
Temperature: 1.300000
Total energy: -650.035280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -650.035280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -650.035280 (E_RNA)
where:
Base-Base interactions energy: -393.186
where: short stacking energy: -180.351
Base-Backbone interact. energy: -1.167
local terms energy: -255.681662
where:
bonds (distance) C4'-P energy: -56.837
bonds (distance) P-C4' energy: -79.841
flat angles C4'-P-C4' energy: -47.885
flat angles P-C4'-P energy: -47.529
tors. eta vs tors. theta energy: -23.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 397
Temperature: 1.350000
Total energy: -471.016401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.016401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.016401 (E_RNA)
where:
Base-Base interactions energy: -266.352
where: short stacking energy: -136.892
Base-Backbone interact. energy: 6.349
local terms energy: -211.013066
where:
bonds (distance) C4'-P energy: -56.178
bonds (distance) P-C4' energy: -64.842
flat angles C4'-P-C4' energy: -47.335
flat angles P-C4'-P energy: -35.863
tors. eta vs tors. theta energy: -6.795
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: 5
=====================================
Write number: 398
Temperature: 0.900000
Total energy: -1382.900999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1382.900999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1382.900999 (E_RNA)
where:
Base-Base interactions energy: -965.801
where: short stacking energy: -408.602
Base-Backbone interact. energy: 0.124
local terms energy: -417.223426
where:
bonds (distance) C4'-P energy: -68.588
bonds (distance) P-C4' energy: -78.186
flat angles C4'-P-C4' energy: -90.821
flat angles P-C4'-P energy: -66.180
tors. eta vs tors. theta energy: -113.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 398
Temperature: 0.950000
Total energy: -1328.002659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1328.002659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1328.002659 (E_RNA)
where:
Base-Base interactions energy: -945.608
where: short stacking energy: -375.606
Base-Backbone interact. energy: 1.460
local terms energy: -383.854588
where:
bonds (distance) C4'-P energy: -74.036
bonds (distance) P-C4' energy: -70.815
flat angles C4'-P-C4' energy: -89.919
flat angles P-C4'-P energy: -50.738
tors. eta vs tors. theta energy: -98.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 398
Temperature: 1.000000
Total energy: -1270.913373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1270.913373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1270.913373 (E_RNA)
where:
Base-Base interactions energy: -877.696
where: short stacking energy: -348.990
Base-Backbone interact. energy: -1.386
local terms energy: -391.831123
where:
bonds (distance) C4'-P energy: -74.011
bonds (distance) P-C4' energy: -67.982
flat angles C4'-P-C4' energy: -86.677
flat angles P-C4'-P energy: -59.839
tors. eta vs tors. theta energy: -103.322
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: 8
=====================================
Write number: 398
Temperature: 1.050000
Total energy: -1263.770955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1263.770955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1263.770955 (E_RNA)
where:
Base-Base interactions energy: -861.510
where: short stacking energy: -367.034
Base-Backbone interact. energy: -3.175
local terms energy: -399.086852
where:
bonds (distance) C4'-P energy: -63.008
bonds (distance) P-C4' energy: -84.801
flat angles C4'-P-C4' energy: -86.956
flat angles P-C4'-P energy: -54.197
tors. eta vs tors. theta energy: -110.125
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: 398
Temperature: 1.100000
Total energy: -1230.851509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1230.851509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1230.851509 (E_RNA)
where:
Base-Base interactions energy: -866.601
where: short stacking energy: -353.282
Base-Backbone interact. energy: -2.005
local terms energy: -362.245602
where:
bonds (distance) C4'-P energy: -64.540
bonds (distance) P-C4' energy: -70.091
flat angles C4'-P-C4' energy: -74.288
flat angles P-C4'-P energy: -58.728
tors. eta vs tors. theta energy: -94.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 398
Temperature: 1.150000
Total energy: -1108.861373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1108.861373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1108.861373 (E_RNA)
where:
Base-Base interactions energy: -752.121
where: short stacking energy: -318.072
Base-Backbone interact. energy: 0.601
local terms energy: -357.340763
where:
bonds (distance) C4'-P energy: -66.809
bonds (distance) P-C4' energy: -64.220
flat angles C4'-P-C4' energy: -85.294
flat angles P-C4'-P energy: -45.301
tors. eta vs tors. theta energy: -95.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 398
Temperature: 1.200000
Total energy: -914.160075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -914.160075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -914.160075 (E_RNA)
where:
Base-Base interactions energy: -619.497
where: short stacking energy: -255.694
Base-Backbone interact. energy: -1.444
local terms energy: -293.219886
where:
bonds (distance) C4'-P energy: -52.950
bonds (distance) P-C4' energy: -73.551
flat angles C4'-P-C4' energy: -62.556
flat angles P-C4'-P energy: -34.308
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: 8, replica: 1
=====================================
Write number: 398
Temperature: 1.250000
Total energy: -859.043936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -859.043936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -859.043936 (E_RNA)
where:
Base-Base interactions energy: -570.669
where: short stacking energy: -230.545
Base-Backbone interact. energy: -2.249
local terms energy: -286.125453
where:
bonds (distance) C4'-P energy: -70.886
bonds (distance) P-C4' energy: -64.975
flat angles C4'-P-C4' energy: -52.832
flat angles P-C4'-P energy: -42.482
tors. eta vs tors. theta energy: -54.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 398
Temperature: 1.300000
Total energy: -742.887775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -742.887775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -742.887775 (E_RNA)
where:
Base-Base interactions energy: -469.595
where: short stacking energy: -207.054
Base-Backbone interact. energy: -0.224
local terms energy: -273.069439
where:
bonds (distance) C4'-P energy: -61.389
bonds (distance) P-C4' energy: -61.116
flat angles C4'-P-C4' energy: -67.925
flat angles P-C4'-P energy: -40.184
tors. eta vs tors. theta energy: -42.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 398
Temperature: 1.350000
Total energy: -466.965341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.965341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.965341 (E_RNA)
where:
Base-Base interactions energy: -266.634
where: short stacking energy: -143.325
Base-Backbone interact. energy: -1.956
local terms energy: -198.375093
where:
bonds (distance) C4'-P energy: -54.672
bonds (distance) P-C4' energy: -67.037
flat angles C4'-P-C4' energy: -48.503
flat angles P-C4'-P energy: -24.117
tors. eta vs tors. theta energy: -4.046
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: 5
=====================================
Write number: 399
Temperature: 0.900000
Total energy: -1375.366478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1375.366478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1375.366478 (E_RNA)
where:
Base-Base interactions energy: -956.350
where: short stacking energy: -401.747
Base-Backbone interact. energy: -1.319
local terms energy: -417.698051
where:
bonds (distance) C4'-P energy: -82.072
bonds (distance) P-C4' energy: -75.944
flat angles C4'-P-C4' energy: -90.200
flat angles P-C4'-P energy: -55.663
tors. eta vs tors. theta energy: -113.820
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: 6
=====================================
Write number: 399
Temperature: 0.950000
Total energy: -1367.970223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1367.970223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1367.970223 (E_RNA)
where:
Base-Base interactions energy: -968.475
where: short stacking energy: -372.820
Base-Backbone interact. energy: -0.640
local terms energy: -398.855428
where:
bonds (distance) C4'-P energy: -76.880
bonds (distance) P-C4' energy: -83.405
flat angles C4'-P-C4' energy: -89.193
flat angles P-C4'-P energy: -48.062
tors. eta vs tors. theta energy: -101.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 399
Temperature: 1.000000
Total energy: -1288.581104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1288.581104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1288.581104 (E_RNA)
where:
Base-Base interactions energy: -893.417
where: short stacking energy: -369.316
Base-Backbone interact. energy: -0.960
local terms energy: -394.204069
where:
bonds (distance) C4'-P energy: -81.101
bonds (distance) P-C4' energy: -68.757
flat angles C4'-P-C4' energy: -80.814
flat angles P-C4'-P energy: -57.819
tors. eta vs tors. theta energy: -105.714
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: 8
=====================================
Write number: 399
Temperature: 1.050000
Total energy: -1248.383576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1248.383576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1248.383576 (E_RNA)
where:
Base-Base interactions energy: -843.308
where: short stacking energy: -377.023
Base-Backbone interact. energy: -1.642
local terms energy: -403.433780
where:
bonds (distance) C4'-P energy: -81.891
bonds (distance) P-C4' energy: -70.736
flat angles C4'-P-C4' energy: -84.040
flat angles P-C4'-P energy: -57.095
tors. eta vs tors. theta energy: -109.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 399
Temperature: 1.100000
Total energy: -1214.095140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1214.095140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1214.095140 (E_RNA)
where:
Base-Base interactions energy: -843.034
where: short stacking energy: -338.741
Base-Backbone interact. energy: -0.543
local terms energy: -370.517806
where:
bonds (distance) C4'-P energy: -67.305
bonds (distance) P-C4' energy: -74.131
flat angles C4'-P-C4' energy: -77.418
flat angles P-C4'-P energy: -52.822
tors. eta vs tors. theta energy: -98.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 399
Temperature: 1.150000
Total energy: -1110.999195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1110.999195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1110.999195 (E_RNA)
where:
Base-Base interactions energy: -762.283
where: short stacking energy: -312.897
Base-Backbone interact. energy: 0.040
local terms energy: -348.756281
where:
bonds (distance) C4'-P energy: -73.643
bonds (distance) P-C4' energy: -69.896
flat angles C4'-P-C4' energy: -67.318
flat angles P-C4'-P energy: -46.620
tors. eta vs tors. theta energy: -91.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 399
Temperature: 1.200000
Total energy: -922.580271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -922.580271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -922.580271 (E_RNA)
where:
Base-Base interactions energy: -586.259
where: short stacking energy: -266.789
Base-Backbone interact. energy: -0.825
local terms energy: -335.496927
where:
bonds (distance) C4'-P energy: -65.564
bonds (distance) P-C4' energy: -75.065
flat angles C4'-P-C4' energy: -71.213
flat angles P-C4'-P energy: -39.966
tors. eta vs tors. theta energy: -83.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 399
Temperature: 1.250000
Total energy: -929.631271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -929.631271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -929.631271 (E_RNA)
where:
Base-Base interactions energy: -612.552
where: short stacking energy: -273.656
Base-Backbone interact. energy: 3.699
local terms energy: -320.778758
where:
bonds (distance) C4'-P energy: -60.569
bonds (distance) P-C4' energy: -71.758
flat angles C4'-P-C4' energy: -69.633
flat angles P-C4'-P energy: -48.163
tors. eta vs tors. theta energy: -70.656
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: 10
=====================================
Write number: 399
Temperature: 1.300000
Total energy: -753.754320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -753.754320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -753.754320 (E_RNA)
where:
Base-Base interactions energy: -458.894
where: short stacking energy: -189.662
Base-Backbone interact. energy: 3.015
local terms energy: -297.875327
where:
bonds (distance) C4'-P energy: -74.001
bonds (distance) P-C4' energy: -75.093
flat angles C4'-P-C4' energy: -65.098
flat angles P-C4'-P energy: -43.519
tors. eta vs tors. theta energy: -40.165
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: 4
=====================================
Write number: 399
Temperature: 1.350000
Total energy: -464.315748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -464.315748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -464.315748 (E_RNA)
where:
Base-Base interactions energy: -258.347
where: short stacking energy: -120.512
Base-Backbone interact. energy: -2.396
local terms energy: -203.572005
where:
bonds (distance) C4'-P energy: -63.150
bonds (distance) P-C4' energy: -54.028
flat angles C4'-P-C4' energy: -60.392
flat angles P-C4'-P energy: -31.312
tors. eta vs tors. theta energy: 5.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 400
Temperature: 0.900000
Total energy: -1397.226946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1397.226946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1397.226946 (E_RNA)
where:
Base-Base interactions energy: -970.343
where: short stacking energy: -409.466
Base-Backbone interact. energy: -1.612
local terms energy: -425.272129
where:
bonds (distance) C4'-P energy: -72.345
bonds (distance) P-C4' energy: -78.517
flat angles C4'-P-C4' energy: -91.190
flat angles P-C4'-P energy: -61.789
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: 6
=====================================
Write number: 400
Temperature: 0.950000
Total energy: -1351.162776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1351.162776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1351.162776 (E_RNA)
where:
Base-Base interactions energy: -965.408
where: short stacking energy: -359.257
Base-Backbone interact. energy: 0.690
local terms energy: -386.445155
where:
bonds (distance) C4'-P energy: -75.847
bonds (distance) P-C4' energy: -73.896
flat angles C4'-P-C4' energy: -83.638
flat angles P-C4'-P energy: -53.375
tors. eta vs tors. theta energy: -99.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 400
Temperature: 1.000000
Total energy: -1271.316658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1271.316658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1271.316658 (E_RNA)
where:
Base-Base interactions energy: -883.853
where: short stacking energy: -373.012
Base-Backbone interact. energy: -0.891
local terms energy: -386.572916
where:
bonds (distance) C4'-P energy: -62.147
bonds (distance) P-C4' energy: -73.702
flat angles C4'-P-C4' energy: -83.598
flat angles P-C4'-P energy: -48.504
tors. eta vs tors. theta energy: -118.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 400
Temperature: 1.050000
Total energy: -1241.437375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1241.437375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1241.437375 (E_RNA)
where:
Base-Base interactions energy: -875.445
where: short stacking energy: -364.490
Base-Backbone interact. energy: 0.357
local terms energy: -366.349161
where:
bonds (distance) C4'-P energy: -66.138
bonds (distance) P-C4' energy: -65.581
flat angles C4'-P-C4' energy: -84.431
flat angles P-C4'-P energy: -47.903
tors. eta vs tors. theta energy: -102.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 400
Temperature: 1.100000
Total energy: -1229.347987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1229.347987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1229.347987 (E_RNA)
where:
Base-Base interactions energy: -859.977
where: short stacking energy: -344.521
Base-Backbone interact. energy: -3.828
local terms energy: -365.542633
where:
bonds (distance) C4'-P energy: -73.008
bonds (distance) P-C4' energy: -58.557
flat angles C4'-P-C4' energy: -73.471
flat angles P-C4'-P energy: -63.134
tors. eta vs tors. theta energy: -97.372
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: 7
=====================================
Write number: 400
Temperature: 1.150000
Total energy: -1140.258496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1140.258496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1140.258496 (E_RNA)
where:
Base-Base interactions energy: -799.965
where: short stacking energy: -317.696
Base-Backbone interact. energy: -0.658
local terms energy: -339.634903
where:
bonds (distance) C4'-P energy: -53.877
bonds (distance) P-C4' energy: -69.824
flat angles C4'-P-C4' energy: -77.351
flat angles P-C4'-P energy: -41.055
tors. eta vs tors. theta energy: -97.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 400
Temperature: 1.200000
Total energy: -947.148774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -947.148774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -947.148774 (E_RNA)
where:
Base-Base interactions energy: -647.105
where: short stacking energy: -283.423
Base-Backbone interact. energy: -1.619
local terms energy: -298.424496
where:
bonds (distance) C4'-P energy: -60.887
bonds (distance) P-C4' energy: -49.372
flat angles C4'-P-C4' energy: -70.511
flat angles P-C4'-P energy: -42.587
tors. eta vs tors. theta energy: -75.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 400
Temperature: 1.250000
Total energy: -908.204706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -908.204706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -908.204706 (E_RNA)
where:
Base-Base interactions energy: -569.345
where: short stacking energy: -257.991
Base-Backbone interact. energy: 3.221
local terms energy: -342.080497
where:
bonds (distance) C4'-P energy: -74.573
bonds (distance) P-C4' energy: -67.839
flat angles C4'-P-C4' energy: -73.766
flat angles P-C4'-P energy: -51.964
tors. eta vs tors. theta energy: -73.938
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: 10
=====================================
Write number: 400
Temperature: 1.300000
Total energy: -783.998900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -783.998900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -783.998900 (E_RNA)
where:
Base-Base interactions energy: -497.728
where: short stacking energy: -241.731
Base-Backbone interact. energy: 0.367
local terms energy: -286.637402
where:
bonds (distance) C4'-P energy: -75.234
bonds (distance) P-C4' energy: -57.845
flat angles C4'-P-C4' energy: -59.377
flat angles P-C4'-P energy: -37.538
tors. eta vs tors. theta energy: -56.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 400
Temperature: 1.350000
Total energy: -498.512609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.512609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.512609 (E_RNA)
where:
Base-Base interactions energy: -269.152
where: short stacking energy: -142.208
Base-Backbone interact. energy: -2.432
local terms energy: -226.929108
where:
bonds (distance) C4'-P energy: -58.483
bonds (distance) P-C4' energy: -63.361
flat angles C4'-P-C4' energy: -59.673
flat angles P-C4'-P energy: -34.932
tors. eta vs tors. theta energy: -10.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 401
Temperature: 0.900000
Total energy: -1413.545963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1413.545963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1413.545963 (E_RNA)
where:
Base-Base interactions energy: -996.215
where: short stacking energy: -418.339
Base-Backbone interact. energy: -1.631
local terms energy: -415.700256
where:
bonds (distance) C4'-P energy: -66.521
bonds (distance) P-C4' energy: -74.382
flat angles C4'-P-C4' energy: -91.325
flat angles P-C4'-P energy: -55.682
tors. eta vs tors. theta energy: -127.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 401
Temperature: 0.950000
Total energy: -1367.270898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1367.270898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1367.270898 (E_RNA)
where:
Base-Base interactions energy: -964.768
where: short stacking energy: -364.884
Base-Backbone interact. energy: -1.752
local terms energy: -400.751288
where:
bonds (distance) C4'-P energy: -74.831
bonds (distance) P-C4' energy: -77.419
flat angles C4'-P-C4' energy: -86.085
flat angles P-C4'-P energy: -61.826
tors. eta vs tors. theta energy: -100.589
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: 8
=====================================
Write number: 401
Temperature: 1.000000
Total energy: -1280.162487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1280.162487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1280.162487 (E_RNA)
where:
Base-Base interactions energy: -874.333
where: short stacking energy: -381.306
Base-Backbone interact. energy: -2.389
local terms energy: -403.441072
where:
bonds (distance) C4'-P energy: -73.653
bonds (distance) P-C4' energy: -82.662
flat angles C4'-P-C4' energy: -86.832
flat angles P-C4'-P energy: -51.536
tors. eta vs tors. theta energy: -108.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 401
Temperature: 1.050000
Total energy: -1255.164117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1255.164117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1255.164117 (E_RNA)
where:
Base-Base interactions energy: -886.452
where: short stacking energy: -362.891
Base-Backbone interact. energy: -1.040
local terms energy: -367.672833
where:
bonds (distance) C4'-P energy: -77.516
bonds (distance) P-C4' energy: -68.431
flat angles C4'-P-C4' energy: -78.691
flat angles P-C4'-P energy: -42.714
tors. eta vs tors. theta energy: -100.320
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: 9
=====================================
Write number: 401
Temperature: 1.100000
Total energy: -1197.975888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1197.975888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1197.975888 (E_RNA)
where:
Base-Base interactions energy: -842.343
where: short stacking energy: -331.986
Base-Backbone interact. energy: -0.409
local terms energy: -355.223737
where:
bonds (distance) C4'-P energy: -67.629
bonds (distance) P-C4' energy: -68.957
flat angles C4'-P-C4' energy: -74.137
flat angles P-C4'-P energy: -57.609
tors. eta vs tors. theta energy: -86.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 401
Temperature: 1.150000
Total energy: -1148.402002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1148.402002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1148.402002 (E_RNA)
where:
Base-Base interactions energy: -778.088
where: short stacking energy: -321.198
Base-Backbone interact. energy: -0.937
local terms energy: -369.376375
where:
bonds (distance) C4'-P energy: -72.254
bonds (distance) P-C4' energy: -77.002
flat angles C4'-P-C4' energy: -82.942
flat angles P-C4'-P energy: -35.216
tors. eta vs tors. theta energy: -101.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 401
Temperature: 1.200000
Total energy: -952.894035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -952.894035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -952.894035 (E_RNA)
where:
Base-Base interactions energy: -631.770
where: short stacking energy: -270.713
Base-Backbone interact. energy: -0.893
local terms energy: -320.230978
where:
bonds (distance) C4'-P energy: -73.513
bonds (distance) P-C4' energy: -57.150
flat angles C4'-P-C4' energy: -75.550
flat angles P-C4'-P energy: -46.416
tors. eta vs tors. theta energy: -67.602
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: 2
=====================================
Write number: 401
Temperature: 1.250000
Total energy: -880.143451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -880.143451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -880.143451 (E_RNA)
where:
Base-Base interactions energy: -566.290
where: short stacking energy: -239.137
Base-Backbone interact. energy: -1.047
local terms energy: -312.806917
where:
bonds (distance) C4'-P energy: -67.383
bonds (distance) P-C4' energy: -70.811
flat angles C4'-P-C4' energy: -71.036
flat angles P-C4'-P energy: -49.214
tors. eta vs tors. theta energy: -54.364
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: 10
=====================================
Write number: 401
Temperature: 1.300000
Total energy: -760.042946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -760.042946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -760.042946 (E_RNA)
where:
Base-Base interactions energy: -488.021
where: short stacking energy: -206.367
Base-Backbone interact. energy: 0.964
local terms energy: -272.986449
where:
bonds (distance) C4'-P energy: -56.337
bonds (distance) P-C4' energy: -61.319
flat angles C4'-P-C4' energy: -62.127
flat angles P-C4'-P energy: -47.797
tors. eta vs tors. theta energy: -45.406
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: 4
=====================================
Write number: 401
Temperature: 1.350000
Total energy: -481.184613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.184613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.184613 (E_RNA)
where:
Base-Base interactions energy: -265.254
where: short stacking energy: -115.195
Base-Backbone interact. energy: -4.012
local terms energy: -211.918832
where:
bonds (distance) C4'-P energy: -49.909
bonds (distance) P-C4' energy: -86.300
flat angles C4'-P-C4' energy: -50.138
flat angles P-C4'-P energy: -32.920
tors. eta vs tors. theta energy: 7.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 402
Temperature: 0.900000
Total energy: -1382.343889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1382.343889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1382.343889 (E_RNA)
where:
Base-Base interactions energy: -977.547
where: short stacking energy: -362.799
Base-Backbone interact. energy: -2.201
local terms energy: -402.595835
where:
bonds (distance) C4'-P energy: -72.516
bonds (distance) P-C4' energy: -74.332
flat angles C4'-P-C4' energy: -87.915
flat angles P-C4'-P energy: -58.383
tors. eta vs tors. theta energy: -109.450
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: 2, replica: 5
=====================================
Write number: 402
Temperature: 0.950000
Total energy: -1381.174407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1381.174407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1381.174407 (E_RNA)
where:
Base-Base interactions energy: -967.749
where: short stacking energy: -405.682
Base-Backbone interact. energy: -2.718
local terms energy: -410.707038
where:
bonds (distance) C4'-P energy: -66.383
bonds (distance) P-C4' energy: -73.869
flat angles C4'-P-C4' energy: -94.091
flat angles P-C4'-P energy: -58.010
tors. eta vs tors. theta energy: -118.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 402
Temperature: 1.000000
Total energy: -1289.094672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1289.094672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1289.094672 (E_RNA)
where:
Base-Base interactions energy: -891.289
where: short stacking energy: -383.056
Base-Backbone interact. energy: -1.946
local terms energy: -395.859875
where:
bonds (distance) C4'-P energy: -75.833
bonds (distance) P-C4' energy: -71.467
flat angles C4'-P-C4' energy: -83.920
flat angles P-C4'-P energy: -54.456
tors. eta vs tors. theta energy: -110.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 402
Temperature: 1.050000
Total energy: -1269.044701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1269.044701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1269.044701 (E_RNA)
where:
Base-Base interactions energy: -890.956
where: short stacking energy: -366.739
Base-Backbone interact. energy: -2.267
local terms energy: -375.822176
where:
bonds (distance) C4'-P energy: -73.371
bonds (distance) P-C4' energy: -74.951
flat angles C4'-P-C4' energy: -76.070
flat angles P-C4'-P energy: -48.230
tors. eta vs tors. theta energy: -103.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 402
Temperature: 1.100000
Total energy: -1187.302598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1187.302598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1187.302598 (E_RNA)
where:
Base-Base interactions energy: -824.691
where: short stacking energy: -354.487
Base-Backbone interact. energy: -1.054
local terms energy: -361.557333
where:
bonds (distance) C4'-P energy: -64.960
bonds (distance) P-C4' energy: -72.624
flat angles C4'-P-C4' energy: -79.686
flat angles P-C4'-P energy: -46.512
tors. eta vs tors. theta energy: -97.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 402
Temperature: 1.150000
Total energy: -1166.609290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1166.609290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1166.609290 (E_RNA)
where:
Base-Base interactions energy: -809.340
where: short stacking energy: -329.501
Base-Backbone interact. energy: -2.803
local terms energy: -354.466364
where:
bonds (distance) C4'-P energy: -68.827
bonds (distance) P-C4' energy: -76.999
flat angles C4'-P-C4' energy: -68.718
flat angles P-C4'-P energy: -58.882
tors. eta vs tors. theta energy: -81.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 402
Temperature: 1.200000
Total energy: -961.294819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -961.294819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -961.294819 (E_RNA)
where:
Base-Base interactions energy: -641.382
where: short stacking energy: -272.005
Base-Backbone interact. energy: -0.693
local terms energy: -319.220604
where:
bonds (distance) C4'-P energy: -60.606
bonds (distance) P-C4' energy: -69.588
flat angles C4'-P-C4' energy: -71.207
flat angles P-C4'-P energy: -45.564
tors. eta vs tors. theta energy: -72.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 402
Temperature: 1.250000
Total energy: -880.543294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -880.543294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -880.543294 (E_RNA)
where:
Base-Base interactions energy: -564.143
where: short stacking energy: -247.378
Base-Backbone interact. energy: -0.961
local terms energy: -315.439445
where:
bonds (distance) C4'-P energy: -59.801
bonds (distance) P-C4' energy: -84.632
flat angles C4'-P-C4' energy: -74.133
flat angles P-C4'-P energy: -38.952
tors. eta vs tors. theta energy: -57.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 402
Temperature: 1.300000
Total energy: -699.963690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -699.963690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -699.963690 (E_RNA)
where:
Base-Base interactions energy: -426.079
where: short stacking energy: -208.036
Base-Backbone interact. energy: -0.285
local terms energy: -273.599700
where:
bonds (distance) C4'-P energy: -65.190
bonds (distance) P-C4' energy: -60.961
flat angles C4'-P-C4' energy: -68.718
flat angles P-C4'-P energy: -40.134
tors. eta vs tors. theta energy: -38.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 402
Temperature: 1.350000
Total energy: -479.957239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.957239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.957239 (E_RNA)
where:
Base-Base interactions energy: -276.098
where: short stacking energy: -141.731
Base-Backbone interact. energy: 0.794
local terms energy: -204.653145
where:
bonds (distance) C4'-P energy: -55.531
bonds (distance) P-C4' energy: -60.983
flat angles C4'-P-C4' energy: -50.032
flat angles P-C4'-P energy: -38.616
tors. eta vs tors. theta energy: 0.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 403
Temperature: 0.900000
Total energy: -1411.461764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1411.461764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1411.461764 (E_RNA)
where:
Base-Base interactions energy: -1008.813
where: short stacking energy: -391.845
Base-Backbone interact. energy: -1.173
local terms energy: -401.475177
where:
bonds (distance) C4'-P energy: -73.808
bonds (distance) P-C4' energy: -81.766
flat angles C4'-P-C4' energy: -80.829
flat angles P-C4'-P energy: -55.336
tors. eta vs tors. theta energy: -109.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 403
Temperature: 0.950000
Total energy: -1360.160744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1360.160744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1360.160744 (E_RNA)
where:
Base-Base interactions energy: -939.799
where: short stacking energy: -389.553
Base-Backbone interact. energy: 1.136
local terms energy: -421.497853
where:
bonds (distance) C4'-P energy: -78.014
bonds (distance) P-C4' energy: -78.868
flat angles C4'-P-C4' energy: -90.272
flat angles P-C4'-P energy: -58.270
tors. eta vs tors. theta energy: -116.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 403
Temperature: 1.000000
Total energy: -1297.628823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1297.628823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1297.628823 (E_RNA)
where:
Base-Base interactions energy: -907.216
where: short stacking energy: -394.150
Base-Backbone interact. energy: -1.877
local terms energy: -388.535308
where:
bonds (distance) C4'-P energy: -72.798
bonds (distance) P-C4' energy: -65.535
flat angles C4'-P-C4' energy: -74.277
flat angles P-C4'-P energy: -55.899
tors. eta vs tors. theta energy: -120.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 403
Temperature: 1.050000
Total energy: -1302.733932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1302.733932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1302.733932 (E_RNA)
where:
Base-Base interactions energy: -904.380
where: short stacking energy: -385.125
Base-Backbone interact. energy: -1.372
local terms energy: -396.981442
where:
bonds (distance) C4'-P energy: -71.176
bonds (distance) P-C4' energy: -69.595
flat angles C4'-P-C4' energy: -84.670
flat angles P-C4'-P energy: -61.983
tors. eta vs tors. theta energy: -109.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 403
Temperature: 1.100000
Total energy: -1167.792856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1167.792856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1167.792856 (E_RNA)
where:
Base-Base interactions energy: -798.448
where: short stacking energy: -339.390
Base-Backbone interact. energy: -0.083
local terms energy: -369.262142
where:
bonds (distance) C4'-P energy: -76.747
bonds (distance) P-C4' energy: -73.982
flat angles C4'-P-C4' energy: -74.878
flat angles P-C4'-P energy: -48.258
tors. eta vs tors. theta energy: -95.397
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: 6, replica: 9
=====================================
Write number: 403
Temperature: 1.150000
Total energy: -1138.813560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1138.813560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1138.813560 (E_RNA)
where:
Base-Base interactions energy: -798.359
where: short stacking energy: -324.727
Base-Backbone interact. energy: 3.117
local terms energy: -343.571136
where:
bonds (distance) C4'-P energy: -57.923
bonds (distance) P-C4' energy: -77.271
flat angles C4'-P-C4' energy: -62.608
flat angles P-C4'-P energy: -54.583
tors. eta vs tors. theta energy: -91.186
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: 7, replica: 1
=====================================
Write number: 403
Temperature: 1.200000
Total energy: -922.355126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -922.355126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -922.355126 (E_RNA)
where:
Base-Base interactions energy: -600.450
where: short stacking energy: -262.359
Base-Backbone interact. energy: 0.131
local terms energy: -322.036344
where:
bonds (distance) C4'-P energy: -68.251
bonds (distance) P-C4' energy: -71.461
flat angles C4'-P-C4' energy: -70.477
flat angles P-C4'-P energy: -40.683
tors. eta vs tors. theta energy: -71.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 403
Temperature: 1.250000
Total energy: -880.610568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -880.610568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -880.610568 (E_RNA)
where:
Base-Base interactions energy: -585.673
where: short stacking energy: -268.628
Base-Backbone interact. energy: -0.920
local terms energy: -294.017728
where:
bonds (distance) C4'-P energy: -69.920
bonds (distance) P-C4' energy: -65.259
flat angles C4'-P-C4' energy: -55.615
flat angles P-C4'-P energy: -40.595
tors. eta vs tors. theta energy: -62.629
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: 10
=====================================
Write number: 403
Temperature: 1.300000
Total energy: -699.470411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -699.470411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -699.470411 (E_RNA)
where:
Base-Base interactions energy: -447.640
where: short stacking energy: -199.624
Base-Backbone interact. energy: 3.414
local terms energy: -256.679726
where:
bonds (distance) C4'-P energy: -58.181
bonds (distance) P-C4' energy: -62.107
flat angles C4'-P-C4' energy: -64.833
flat angles P-C4'-P energy: -41.881
tors. eta vs tors. theta energy: -29.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.435 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 403
Temperature: 1.350000
Total energy: -493.774833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.774833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.774833 (E_RNA)
where:
Base-Base interactions energy: -258.902
where: short stacking energy: -135.529
Base-Backbone interact. energy: 3.853
local terms energy: -238.725984
where:
bonds (distance) C4'-P energy: -66.203
bonds (distance) P-C4' energy: -73.668
flat angles C4'-P-C4' energy: -60.763
flat angles P-C4'-P energy: -32.324
tors. eta vs tors. theta energy: -5.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 404
Temperature: 0.900000
Total energy: -1395.986203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1395.986203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1395.986203 (E_RNA)
where:
Base-Base interactions energy: -977.371
where: short stacking energy: -414.851
Base-Backbone interact. energy: 0.281
local terms energy: -418.895949
where:
bonds (distance) C4'-P energy: -78.920
bonds (distance) P-C4' energy: -70.848
flat angles C4'-P-C4' energy: -93.140
flat angles P-C4'-P energy: -58.757
tors. eta vs tors. theta energy: -117.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 404
Temperature: 0.950000
Total energy: -1362.936667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1362.936667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1362.936667 (E_RNA)
where:
Base-Base interactions energy: -979.315
where: short stacking energy: -382.203
Base-Backbone interact. energy: 1.449
local terms energy: -385.070538
where:
bonds (distance) C4'-P energy: -69.402
bonds (distance) P-C4' energy: -72.210
flat angles C4'-P-C4' energy: -81.597
flat angles P-C4'-P energy: -55.054
tors. eta vs tors. theta energy: -106.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 404
Temperature: 1.000000
Total energy: -1322.613395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1322.613395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1322.613395 (E_RNA)
where:
Base-Base interactions energy: -928.508
where: short stacking energy: -388.034
Base-Backbone interact. energy: -0.828
local terms energy: -393.277273
where:
bonds (distance) C4'-P energy: -72.264
bonds (distance) P-C4' energy: -77.532
flat angles C4'-P-C4' energy: -81.016
flat angles P-C4'-P energy: -59.136
tors. eta vs tors. theta energy: -103.329
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: 8
=====================================
Write number: 404
Temperature: 1.050000
Total energy: -1255.439631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1255.439631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1255.439631 (E_RNA)
where:
Base-Base interactions energy: -867.219
where: short stacking energy: -377.859
Base-Backbone interact. energy: -0.048
local terms energy: -388.172382
where:
bonds (distance) C4'-P energy: -77.069
bonds (distance) P-C4' energy: -66.271
flat angles C4'-P-C4' energy: -77.712
flat angles P-C4'-P energy: -55.278
tors. eta vs tors. theta energy: -111.843
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: 5, replica: 9
=====================================
Write number: 404
Temperature: 1.100000
Total energy: -1185.370748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1185.370748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1185.370748 (E_RNA)
where:
Base-Base interactions energy: -819.699
where: short stacking energy: -328.596
Base-Backbone interact. energy: 4.746
local terms energy: -370.418256
where:
bonds (distance) C4'-P energy: -63.681
bonds (distance) P-C4' energy: -75.110
flat angles C4'-P-C4' energy: -86.994
flat angles P-C4'-P energy: -50.572
tors. eta vs tors. theta energy: -94.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 404
Temperature: 1.150000
Total energy: -1134.251723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1134.251723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1134.251723 (E_RNA)
where:
Base-Base interactions energy: -775.800
where: short stacking energy: -328.426
Base-Backbone interact. energy: 0.148
local terms energy: -358.753929
where:
bonds (distance) C4'-P energy: -60.833
bonds (distance) P-C4' energy: -77.969
flat angles C4'-P-C4' energy: -60.958
flat angles P-C4'-P energy: -58.840
tors. eta vs tors. theta energy: -100.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.154 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 404
Temperature: 1.200000
Total energy: -900.500862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -900.500862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -900.500862 (E_RNA)
where:
Base-Base interactions energy: -594.825
where: short stacking energy: -250.537
Base-Backbone interact. energy: -3.453
local terms energy: -302.222771
where:
bonds (distance) C4'-P energy: -59.008
bonds (distance) P-C4' energy: -74.842
flat angles C4'-P-C4' energy: -61.539
flat angles P-C4'-P energy: -54.752
tors. eta vs tors. theta energy: -52.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 404
Temperature: 1.250000
Total energy: -865.019966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -865.019966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -865.019966 (E_RNA)
where:
Base-Base interactions energy: -577.769
where: short stacking energy: -255.718
Base-Backbone interact. energy: -0.828
local terms energy: -286.422540
where:
bonds (distance) C4'-P energy: -65.024
bonds (distance) P-C4' energy: -65.078
flat angles C4'-P-C4' energy: -64.080
flat angles P-C4'-P energy: -31.772
tors. eta vs tors. theta energy: -60.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 404
Temperature: 1.300000
Total energy: -645.077880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -645.077880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -645.077880 (E_RNA)
where:
Base-Base interactions energy: -385.408
where: short stacking energy: -173.940
Base-Backbone interact. energy: -1.257
local terms energy: -258.413148
where:
bonds (distance) C4'-P energy: -60.462
bonds (distance) P-C4' energy: -77.593
flat angles C4'-P-C4' energy: -53.192
flat angles P-C4'-P energy: -37.398
tors. eta vs tors. theta energy: -29.767
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: 4
=====================================
Write number: 404
Temperature: 1.350000
Total energy: -529.711655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.711655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.711655 (E_RNA)
where:
Base-Base interactions energy: -296.117
where: short stacking energy: -157.310
Base-Backbone interact. energy: 0.126
local terms energy: -233.720180
where:
bonds (distance) C4'-P energy: -58.903
bonds (distance) P-C4' energy: -67.016
flat angles C4'-P-C4' energy: -62.972
flat angles P-C4'-P energy: -32.937
tors. eta vs tors. theta energy: -11.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 405
Temperature: 0.900000
Total energy: -1389.866213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1389.866213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1389.866213 (E_RNA)
where:
Base-Base interactions energy: -960.263
where: short stacking energy: -404.157
Base-Backbone interact. energy: -0.377
local terms energy: -429.226516
where:
bonds (distance) C4'-P energy: -67.238
bonds (distance) P-C4' energy: -85.526
flat angles C4'-P-C4' energy: -91.982
flat angles P-C4'-P energy: -64.183
tors. eta vs tors. theta energy: -120.298
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: 405
Temperature: 0.950000
Total energy: -1362.701383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1362.701383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1362.701383 (E_RNA)
where:
Base-Base interactions energy: -957.730
where: short stacking energy: -401.392
Base-Backbone interact. energy: -1.619
local terms energy: -403.352639
where:
bonds (distance) C4'-P energy: -72.297
bonds (distance) P-C4' energy: -79.227
flat angles C4'-P-C4' energy: -81.621
flat angles P-C4'-P energy: -56.207
tors. eta vs tors. theta energy: -114.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 405
Temperature: 1.000000
Total energy: -1337.979603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1337.979603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1337.979603 (E_RNA)
where:
Base-Base interactions energy: -943.735
where: short stacking energy: -371.440
Base-Backbone interact. energy: -3.000
local terms energy: -391.244994
where:
bonds (distance) C4'-P energy: -71.250
bonds (distance) P-C4' energy: -72.953
flat angles C4'-P-C4' energy: -82.328
flat angles P-C4'-P energy: -59.401
tors. eta vs tors. theta energy: -105.313
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: 8
=====================================
Write number: 405
Temperature: 1.050000
Total energy: -1276.593472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1276.593472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1276.593472 (E_RNA)
where:
Base-Base interactions energy: -897.524
where: short stacking energy: -380.256
Base-Backbone interact. energy: -0.560
local terms energy: -378.508936
where:
bonds (distance) C4'-P energy: -65.647
bonds (distance) P-C4' energy: -65.364
flat angles C4'-P-C4' energy: -77.430
flat angles P-C4'-P energy: -50.306
tors. eta vs tors. theta energy: -119.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 405
Temperature: 1.100000
Total energy: -1153.085621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1153.085621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1153.085621 (E_RNA)
where:
Base-Base interactions energy: -818.360
where: short stacking energy: -342.189
Base-Backbone interact. energy: 0.654
local terms energy: -335.380066
where:
bonds (distance) C4'-P energy: -71.652
bonds (distance) P-C4' energy: -71.265
flat angles C4'-P-C4' energy: -66.054
flat angles P-C4'-P energy: -38.535
tors. eta vs tors. theta energy: -87.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 405
Temperature: 1.150000
Total energy: -1145.788262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1145.788262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1145.788262 (E_RNA)
where:
Base-Base interactions energy: -776.264
where: short stacking energy: -321.432
Base-Backbone interact. energy: -0.450
local terms energy: -369.073852
where:
bonds (distance) C4'-P energy: -80.479
bonds (distance) P-C4' energy: -66.630
flat angles C4'-P-C4' energy: -74.782
flat angles P-C4'-P energy: -51.211
tors. eta vs tors. theta energy: -95.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 405
Temperature: 1.200000
Total energy: -900.130531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -900.130531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -900.130531 (E_RNA)
where:
Base-Base interactions energy: -589.531
where: short stacking energy: -257.648
Base-Backbone interact. energy: -0.158
local terms energy: -310.441457
where:
bonds (distance) C4'-P energy: -62.837
bonds (distance) P-C4' energy: -71.101
flat angles C4'-P-C4' energy: -58.512
flat angles P-C4'-P energy: -46.202
tors. eta vs tors. theta energy: -71.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 405
Temperature: 1.250000
Total energy: -942.787522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -942.787522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -942.787522 (E_RNA)
where:
Base-Base interactions energy: -635.585
where: short stacking energy: -281.480
Base-Backbone interact. energy: -0.528
local terms energy: -306.674527
where:
bonds (distance) C4'-P energy: -73.390
bonds (distance) P-C4' energy: -68.363
flat angles C4'-P-C4' energy: -65.688
flat angles P-C4'-P energy: -28.923
tors. eta vs tors. theta energy: -70.311
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: 10
=====================================
Write number: 405
Temperature: 1.300000
Total energy: -713.483296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -713.483296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -713.483296 (E_RNA)
where:
Base-Base interactions energy: -427.397
where: short stacking energy: -212.368
Base-Backbone interact. energy: 1.765
local terms energy: -287.851946
where:
bonds (distance) C4'-P energy: -65.001
bonds (distance) P-C4' energy: -75.463
flat angles C4'-P-C4' energy: -70.181
flat angles P-C4'-P energy: -38.005
tors. eta vs tors. theta energy: -39.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 405
Temperature: 1.350000
Total energy: -463.215907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.215907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.215907 (E_RNA)
where:
Base-Base interactions energy: -256.709
where: short stacking energy: -137.658
Base-Backbone interact. energy: -4.268
local terms energy: -202.238360
where:
bonds (distance) C4'-P energy: -50.072
bonds (distance) P-C4' energy: -46.125
flat angles C4'-P-C4' energy: -54.664
flat angles P-C4'-P energy: -33.519
tors. eta vs tors. theta energy: -17.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 406
Temperature: 0.900000
Total energy: -1439.934830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1439.934830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1439.934830 (E_RNA)
where:
Base-Base interactions energy: -989.479
where: short stacking energy: -417.670
Base-Backbone interact. energy: -2.110
local terms energy: -448.346224
where:
bonds (distance) C4'-P energy: -85.150
bonds (distance) P-C4' energy: -84.268
flat angles C4'-P-C4' energy: -96.282
flat angles P-C4'-P energy: -64.867
tors. eta vs tors. theta energy: -117.780
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: 3
=====================================
Write number: 406
Temperature: 0.950000
Total energy: -1338.751346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1338.751346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1338.751346 (E_RNA)
where:
Base-Base interactions energy: -936.855
where: short stacking energy: -379.739
Base-Backbone interact. energy: -1.894
local terms energy: -400.001971
where:
bonds (distance) C4'-P energy: -70.709
bonds (distance) P-C4' energy: -73.856
flat angles C4'-P-C4' energy: -78.549
flat angles P-C4'-P energy: -64.205
tors. eta vs tors. theta energy: -112.684
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: 6
=====================================
Write number: 406
Temperature: 1.000000
Total energy: -1317.267437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1317.267437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1317.267437 (E_RNA)
where:
Base-Base interactions energy: -926.196
where: short stacking energy: -366.605
Base-Backbone interact. energy: -4.184
local terms energy: -386.886708
where:
bonds (distance) C4'-P energy: -79.713
bonds (distance) P-C4' energy: -75.504
flat angles C4'-P-C4' energy: -81.503
flat angles P-C4'-P energy: -48.934
tors. eta vs tors. theta energy: -101.234
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: 8
=====================================
Write number: 406
Temperature: 1.050000
Total energy: -1269.851293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1269.851293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1269.851293 (E_RNA)
where:
Base-Base interactions energy: -887.057
where: short stacking energy: -376.461
Base-Backbone interact. energy: 4.650
local terms energy: -387.443989
where:
bonds (distance) C4'-P energy: -75.921
bonds (distance) P-C4' energy: -57.707
flat angles C4'-P-C4' energy: -83.376
flat angles P-C4'-P energy: -53.125
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: 5, replica: 7
=====================================
Write number: 406
Temperature: 1.100000
Total energy: -1150.348924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1150.348924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1150.348924 (E_RNA)
where:
Base-Base interactions energy: -788.173
where: short stacking energy: -331.429
Base-Backbone interact. energy: 0.059
local terms energy: -362.235254
where:
bonds (distance) C4'-P energy: -61.859
bonds (distance) P-C4' energy: -76.603
flat angles C4'-P-C4' energy: -81.111
flat angles P-C4'-P energy: -42.682
tors. eta vs tors. theta energy: -99.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 406
Temperature: 1.150000
Total energy: -1152.028571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1152.028571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1152.028571 (E_RNA)
where:
Base-Base interactions energy: -821.876
where: short stacking energy: -332.155
Base-Backbone interact. energy: 1.919
local terms energy: -332.070874
where:
bonds (distance) C4'-P energy: -63.069
bonds (distance) P-C4' energy: -66.381
flat angles C4'-P-C4' energy: -67.724
flat angles P-C4'-P energy: -41.736
tors. eta vs tors. theta energy: -93.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 406
Temperature: 1.200000
Total energy: -904.009344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -904.009344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -904.009344 (E_RNA)
where:
Base-Base interactions energy: -599.213
where: short stacking energy: -260.647
Base-Backbone interact. energy: 2.137
local terms energy: -309.034661
where:
bonds (distance) C4'-P energy: -54.874
bonds (distance) P-C4' energy: -75.975
flat angles C4'-P-C4' energy: -72.760
flat angles P-C4'-P energy: -40.743
tors. eta vs tors. theta energy: -64.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 2.102 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 406
Temperature: 1.250000
Total energy: -892.771703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -892.771703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -892.771703 (E_RNA)
where:
Base-Base interactions energy: -586.278
where: short stacking energy: -247.339
Base-Backbone interact. energy: 4.914
local terms energy: -311.407832
where:
bonds (distance) C4'-P energy: -72.037
bonds (distance) P-C4' energy: -59.549
flat angles C4'-P-C4' energy: -82.521
flat angles P-C4'-P energy: -42.796
tors. eta vs tors. theta energy: -54.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 406
Temperature: 1.300000
Total energy: -658.854893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -658.854893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -658.854893 (E_RNA)
where:
Base-Base interactions energy: -429.791
where: short stacking energy: -201.943
Base-Backbone interact. energy: 1.892
local terms energy: -231.344713
where:
bonds (distance) C4'-P energy: -65.666
bonds (distance) P-C4' energy: -61.910
flat angles C4'-P-C4' energy: -58.088
flat angles P-C4'-P energy: -23.596
tors. eta vs tors. theta energy: -22.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.390 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 406
Temperature: 1.350000
Total energy: -408.842559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.842559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.842559 (E_RNA)
where:
Base-Base interactions energy: -192.149
where: short stacking energy: -107.997
Base-Backbone interact. energy: 2.141
local terms energy: -218.834101
where:
bonds (distance) C4'-P energy: -59.248
bonds (distance) P-C4' energy: -69.749
flat angles C4'-P-C4' energy: -45.332
flat angles P-C4'-P energy: -46.225
tors. eta vs tors. theta energy: 1.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 407
Temperature: 0.900000
Total energy: -1406.972529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1406.972529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1406.972529 (E_RNA)
where:
Base-Base interactions energy: -971.479
where: short stacking energy: -420.176
Base-Backbone interact. energy: -3.026
local terms energy: -432.467156
where:
bonds (distance) C4'-P energy: -77.917
bonds (distance) P-C4' energy: -84.907
flat angles C4'-P-C4' energy: -89.403
flat angles P-C4'-P energy: -64.631
tors. eta vs tors. theta energy: -115.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 407
Temperature: 0.950000
Total energy: -1357.186628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1357.186628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1357.186628 (E_RNA)
where:
Base-Base interactions energy: -946.741
where: short stacking energy: -393.032
Base-Backbone interact. energy: -1.852
local terms energy: -408.593108
where:
bonds (distance) C4'-P energy: -72.257
bonds (distance) P-C4' energy: -79.866
flat angles C4'-P-C4' energy: -79.482
flat angles P-C4'-P energy: -62.681
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: 3, replica: 6
=====================================
Write number: 407
Temperature: 1.000000
Total energy: -1311.443513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1311.443513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1311.443513 (E_RNA)
where:
Base-Base interactions energy: -936.315
where: short stacking energy: -364.938
Base-Backbone interact. energy: -4.038
local terms energy: -371.090342
where:
bonds (distance) C4'-P energy: -70.332
bonds (distance) P-C4' energy: -67.035
flat angles C4'-P-C4' energy: -76.989
flat angles P-C4'-P energy: -51.266
tors. eta vs tors. theta energy: -105.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 407
Temperature: 1.050000
Total energy: -1293.346014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1293.346014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1293.346014 (E_RNA)
where:
Base-Base interactions energy: -914.105
where: short stacking energy: -408.745
Base-Backbone interact. energy: -1.773
local terms energy: -377.467379
where:
bonds (distance) C4'-P energy: -62.202
bonds (distance) P-C4' energy: -62.628
flat angles C4'-P-C4' energy: -75.616
flat angles P-C4'-P energy: -55.553
tors. eta vs tors. theta energy: -121.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 407
Temperature: 1.100000
Total energy: -1169.612488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1169.612488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1169.612488 (E_RNA)
where:
Base-Base interactions energy: -794.967
where: short stacking energy: -337.831
Base-Backbone interact. energy: 3.896
local terms energy: -378.541621
where:
bonds (distance) C4'-P energy: -74.313
bonds (distance) P-C4' energy: -74.921
flat angles C4'-P-C4' energy: -82.820
flat angles P-C4'-P energy: -46.595
tors. eta vs tors. theta energy: -99.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 407
Temperature: 1.150000
Total energy: -1129.270983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1129.270983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1129.270983 (E_RNA)
where:
Base-Base interactions energy: -817.693
where: short stacking energy: -317.098
Base-Backbone interact. energy: 4.039
local terms energy: -315.617546
where:
bonds (distance) C4'-P energy: -58.728
bonds (distance) P-C4' energy: -60.662
flat angles C4'-P-C4' energy: -68.080
flat angles P-C4'-P energy: -48.631
tors. eta vs tors. theta energy: -79.517
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: 2
=====================================
Write number: 407
Temperature: 1.200000
Total energy: -928.758542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -928.758542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -928.758542 (E_RNA)
where:
Base-Base interactions energy: -609.938
where: short stacking energy: -278.394
Base-Backbone interact. energy: -0.827
local terms energy: -317.993545
where:
bonds (distance) C4'-P energy: -71.534
bonds (distance) P-C4' energy: -69.677
flat angles C4'-P-C4' energy: -68.902
flat angles P-C4'-P energy: -42.253
tors. eta vs tors. theta energy: -65.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 407
Temperature: 1.250000
Total energy: -894.030407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -894.030407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -894.030407 (E_RNA)
where:
Base-Base interactions energy: -617.015
where: short stacking energy: -251.840
Base-Backbone interact. energy: 0.905
local terms energy: -277.920358
where:
bonds (distance) C4'-P energy: -53.802
bonds (distance) P-C4' energy: -67.540
flat angles C4'-P-C4' energy: -74.072
flat angles P-C4'-P energy: -35.292
tors. eta vs tors. theta energy: -47.214
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: 10
=====================================
Write number: 407
Temperature: 1.300000
Total energy: -689.282629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -689.282629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -689.282629 (E_RNA)
where:
Base-Base interactions energy: -432.407
where: short stacking energy: -204.489
Base-Backbone interact. energy: -0.929
local terms energy: -255.946496
where:
bonds (distance) C4'-P energy: -55.385
bonds (distance) P-C4' energy: -73.345
flat angles C4'-P-C4' energy: -63.412
flat angles P-C4'-P energy: -35.223
tors. eta vs tors. theta energy: -28.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 407
Temperature: 1.350000
Total energy: -380.940766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.940766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.940766 (E_RNA)
where:
Base-Base interactions energy: -166.558
where: short stacking energy: -105.601
Base-Backbone interact. energy: -1.868
local terms energy: -212.514572
where:
bonds (distance) C4'-P energy: -62.280
bonds (distance) P-C4' energy: -52.735
flat angles C4'-P-C4' energy: -55.915
flat angles P-C4'-P energy: -40.292
tors. eta vs tors. theta energy: -1.292
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: 5
=====================================
Write number: 408
Temperature: 0.900000
Total energy: -1402.003359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1402.003359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1402.003359 (E_RNA)
where:
Base-Base interactions energy: -990.534
where: short stacking energy: -410.991
Base-Backbone interact. energy: -2.314
local terms energy: -409.155213
where:
bonds (distance) C4'-P energy: -68.711
bonds (distance) P-C4' energy: -83.552
flat angles C4'-P-C4' energy: -84.571
flat angles P-C4'-P energy: -59.255
tors. eta vs tors. theta energy: -113.067
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: 2, replica: 3
=====================================
Write number: 408
Temperature: 0.950000
Total energy: -1354.285131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1354.285131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1354.285131 (E_RNA)
where:
Base-Base interactions energy: -933.866
where: short stacking energy: -379.606
Base-Backbone interact. energy: -2.392
local terms energy: -418.026701
where:
bonds (distance) C4'-P energy: -79.617
bonds (distance) P-C4' energy: -84.164
flat angles C4'-P-C4' energy: -82.105
flat angles P-C4'-P energy: -61.716
tors. eta vs tors. theta energy: -110.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 408
Temperature: 1.000000
Total energy: -1311.802106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1311.802106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1311.802106 (E_RNA)
where:
Base-Base interactions energy: -915.930
where: short stacking energy: -355.123
Base-Backbone interact. energy: -3.425
local terms energy: -392.446790
where:
bonds (distance) C4'-P energy: -77.509
bonds (distance) P-C4' energy: -74.796
flat angles C4'-P-C4' energy: -88.442
flat angles P-C4'-P energy: -53.570
tors. eta vs tors. theta energy: -98.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 408
Temperature: 1.050000
Total energy: -1256.341637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1256.341637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1256.341637 (E_RNA)
where:
Base-Base interactions energy: -853.481
where: short stacking energy: -376.284
Base-Backbone interact. energy: -2.139
local terms energy: -401.242582
where:
bonds (distance) C4'-P energy: -74.492
bonds (distance) P-C4' energy: -80.296
flat angles C4'-P-C4' energy: -80.808
flat angles P-C4'-P energy: -47.698
tors. eta vs tors. theta energy: -117.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.520 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 408
Temperature: 1.100000
Total energy: -1185.168518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1185.168518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1185.168518 (E_RNA)
where:
Base-Base interactions energy: -818.425
where: short stacking energy: -347.180
Base-Backbone interact. energy: -2.544
local terms energy: -364.199281
where:
bonds (distance) C4'-P energy: -54.342
bonds (distance) P-C4' energy: -68.371
flat angles C4'-P-C4' energy: -91.910
flat angles P-C4'-P energy: -53.201
tors. eta vs tors. theta energy: -96.375
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: 7
=====================================
Write number: 408
Temperature: 1.150000
Total energy: -1154.750586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1154.750586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1154.750586 (E_RNA)
where:
Base-Base interactions energy: -797.351
where: short stacking energy: -345.786
Base-Backbone interact. energy: -0.512
local terms energy: -357.359551
where:
bonds (distance) C4'-P energy: -67.956
bonds (distance) P-C4' energy: -60.219
flat angles C4'-P-C4' energy: -70.448
flat angles P-C4'-P energy: -56.759
tors. eta vs tors. theta energy: -101.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.471 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 408
Temperature: 1.200000
Total energy: -912.482515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -912.482515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -912.482515 (E_RNA)
where:
Base-Base interactions energy: -615.105
where: short stacking energy: -265.834
Base-Backbone interact. energy: 0.107
local terms energy: -297.484703
where:
bonds (distance) C4'-P energy: -67.921
bonds (distance) P-C4' energy: -54.160
flat angles C4'-P-C4' energy: -70.249
flat angles P-C4'-P energy: -39.596
tors. eta vs tors. theta energy: -65.558
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: 408
Temperature: 1.250000
Total energy: -852.094287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -852.094287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -852.094287 (E_RNA)
where:
Base-Base interactions energy: -554.449
where: short stacking energy: -245.148
Base-Backbone interact. energy: 1.248
local terms energy: -298.893172
where:
bonds (distance) C4'-P energy: -67.160
bonds (distance) P-C4' energy: -53.299
flat angles C4'-P-C4' energy: -75.824
flat angles P-C4'-P energy: -47.579
tors. eta vs tors. theta energy: -55.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 408
Temperature: 1.300000
Total energy: -728.433570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -728.433570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -728.433570 (E_RNA)
where:
Base-Base interactions energy: -433.102
where: short stacking energy: -208.814
Base-Backbone interact. energy: 1.578
local terms energy: -296.909805
where:
bonds (distance) C4'-P energy: -65.148
bonds (distance) P-C4' energy: -79.457
flat angles C4'-P-C4' energy: -75.981
flat angles P-C4'-P energy: -38.661
tors. eta vs tors. theta energy: -37.663
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: 4
=====================================
Write number: 408
Temperature: 1.350000
Total energy: -398.631686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.631686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.631686 (E_RNA)
where:
Base-Base interactions energy: -195.215
where: short stacking energy: -135.439
Base-Backbone interact. energy: 0.542
local terms energy: -203.958655
where:
bonds (distance) C4'-P energy: -60.116
bonds (distance) P-C4' energy: -62.911
flat angles C4'-P-C4' energy: -46.809
flat angles P-C4'-P energy: -33.336
tors. eta vs tors. theta energy: -0.786
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: 1, replica: 5
=====================================
Write number: 409
Temperature: 0.900000
Total energy: -1379.673696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1379.673696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1379.673696 (E_RNA)
where:
Base-Base interactions energy: -980.521
where: short stacking energy: -398.208
Base-Backbone interact. energy: -0.135
local terms energy: -399.017614
where:
bonds (distance) C4'-P energy: -69.005
bonds (distance) P-C4' energy: -77.140
flat angles C4'-P-C4' energy: -80.135
flat angles P-C4'-P energy: -55.848
tors. eta vs tors. theta energy: -116.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 409
Temperature: 0.950000
Total energy: -1337.748373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1337.748373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1337.748373 (E_RNA)
where:
Base-Base interactions energy: -937.868
where: short stacking energy: -412.260
Base-Backbone interact. energy: -0.382
local terms energy: -399.930886
where:
bonds (distance) C4'-P energy: -73.635
bonds (distance) P-C4' energy: -63.998
flat angles C4'-P-C4' energy: -91.440
flat angles P-C4'-P energy: -59.621
tors. eta vs tors. theta energy: -111.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.432 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 409
Temperature: 1.000000
Total energy: -1288.001856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1288.001856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1288.001856 (E_RNA)
where:
Base-Base interactions energy: -902.045
where: short stacking energy: -355.296
Base-Backbone interact. energy: -2.799
local terms energy: -383.157205
where:
bonds (distance) C4'-P energy: -76.486
bonds (distance) P-C4' energy: -72.340
flat angles C4'-P-C4' energy: -83.820
flat angles P-C4'-P energy: -49.894
tors. eta vs tors. theta energy: -100.617
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: 8
=====================================
Write number: 409
Temperature: 1.050000
Total energy: -1244.604008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1244.604008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1244.604008 (E_RNA)
where:
Base-Base interactions energy: -858.550
where: short stacking energy: -372.363
Base-Backbone interact. energy: -0.863
local terms energy: -385.191492
where:
bonds (distance) C4'-P energy: -71.963
bonds (distance) P-C4' energy: -65.599
flat angles C4'-P-C4' energy: -80.537
flat angles P-C4'-P energy: -52.981
tors. eta vs tors. theta energy: -114.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 409
Temperature: 1.100000
Total energy: -1215.477746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1215.477746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1215.477746 (E_RNA)
where:
Base-Base interactions energy: -872.637
where: short stacking energy: -346.543
Base-Backbone interact. energy: -2.570
local terms energy: -340.270689
where:
bonds (distance) C4'-P energy: -63.166
bonds (distance) P-C4' energy: -73.087
flat angles C4'-P-C4' energy: -71.066
flat angles P-C4'-P energy: -40.671
tors. eta vs tors. theta energy: -92.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 409
Temperature: 1.150000
Total energy: -1129.110997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1129.110997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1129.110997 (E_RNA)
where:
Base-Base interactions energy: -778.053
where: short stacking energy: -328.644
Base-Backbone interact. energy: 1.343
local terms energy: -352.401392
where:
bonds (distance) C4'-P energy: -62.654
bonds (distance) P-C4' energy: -64.592
flat angles C4'-P-C4' energy: -69.026
flat angles P-C4'-P energy: -54.959
tors. eta vs tors. theta energy: -101.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 409
Temperature: 1.200000
Total energy: -837.556910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -837.556910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -837.556910 (E_RNA)
where:
Base-Base interactions energy: -536.377
where: short stacking energy: -237.679
Base-Backbone interact. energy: -1.321
local terms energy: -299.859323
where:
bonds (distance) C4'-P energy: -61.942
bonds (distance) P-C4' energy: -66.802
flat angles C4'-P-C4' energy: -74.213
flat angles P-C4'-P energy: -46.565
tors. eta vs tors. theta energy: -50.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 409
Temperature: 1.250000
Total energy: -843.716529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -843.716529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -843.716529 (E_RNA)
where:
Base-Base interactions energy: -573.842
where: short stacking energy: -246.682
Base-Backbone interact. energy: 1.199
local terms energy: -271.073273
where:
bonds (distance) C4'-P energy: -50.086
bonds (distance) P-C4' energy: -66.664
flat angles C4'-P-C4' energy: -61.833
flat angles P-C4'-P energy: -38.601
tors. eta vs tors. theta energy: -53.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 409
Temperature: 1.300000
Total energy: -710.048579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -710.048579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -710.048579 (E_RNA)
where:
Base-Base interactions energy: -425.932
where: short stacking energy: -193.098
Base-Backbone interact. energy: -1.751
local terms energy: -282.366198
where:
bonds (distance) C4'-P energy: -74.239
bonds (distance) P-C4' energy: -69.891
flat angles C4'-P-C4' energy: -69.513
flat angles P-C4'-P energy: -36.589
tors. eta vs tors. theta energy: -32.134
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: 10, replica: 4
=====================================
Write number: 409
Temperature: 1.350000
Total energy: -399.243952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.243952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.243952 (E_RNA)
where:
Base-Base interactions energy: -189.653
where: short stacking energy: -125.584
Base-Backbone interact. energy: -0.907
local terms energy: -208.684069
where:
bonds (distance) C4'-P energy: -64.072
bonds (distance) P-C4' energy: -72.773
flat angles C4'-P-C4' energy: -43.489
flat angles P-C4'-P energy: -32.531
tors. eta vs tors. theta energy: 4.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 410
Temperature: 0.900000
Total energy: -1390.238243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1390.238243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1390.238243 (E_RNA)
where:
Base-Base interactions energy: -971.846
where: short stacking energy: -403.678
Base-Backbone interact. energy: -1.933
local terms energy: -416.459733
where:
bonds (distance) C4'-P energy: -73.700
bonds (distance) P-C4' energy: -74.960
flat angles C4'-P-C4' energy: -81.960
flat angles P-C4'-P energy: -63.581
tors. eta vs tors. theta energy: -122.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 410
Temperature: 0.950000
Total energy: -1340.158635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1340.158635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1340.158635 (E_RNA)
where:
Base-Base interactions energy: -940.227
where: short stacking energy: -389.444
Base-Backbone interact. energy: -1.685
local terms energy: -398.246830
where:
bonds (distance) C4'-P energy: -71.837
bonds (distance) P-C4' energy: -75.437
flat angles C4'-P-C4' energy: -85.981
flat angles P-C4'-P energy: -55.631
tors. eta vs tors. theta energy: -109.361
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: 6
=====================================
Write number: 410
Temperature: 1.000000
Total energy: -1306.516377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1306.516377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1306.516377 (E_RNA)
where:
Base-Base interactions energy: -930.325
where: short stacking energy: -336.743
Base-Backbone interact. energy: 1.115
local terms energy: -377.305994
where:
bonds (distance) C4'-P energy: -75.698
bonds (distance) P-C4' energy: -80.895
flat angles C4'-P-C4' energy: -76.924
flat angles P-C4'-P energy: -45.455
tors. eta vs tors. theta energy: -98.335
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: 4, replica: 8
=====================================
Write number: 410
Temperature: 1.050000
Total energy: -1288.867673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1288.867673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1288.867673 (E_RNA)
where:
Base-Base interactions energy: -876.332
where: short stacking energy: -376.547
Base-Backbone interact. energy: 1.498
local terms energy: -416.370425
where:
bonds (distance) C4'-P energy: -75.650
bonds (distance) P-C4' energy: -80.135
flat angles C4'-P-C4' energy: -85.960
flat angles P-C4'-P energy: -54.155
tors. eta vs tors. theta energy: -120.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 2.337 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 410
Temperature: 1.100000
Total energy: -1219.543350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1219.543350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1219.543350 (E_RNA)
where:
Base-Base interactions energy: -871.376
where: short stacking energy: -354.663
Base-Backbone interact. energy: -1.014
local terms energy: -347.153197
where:
bonds (distance) C4'-P energy: -70.243
bonds (distance) P-C4' energy: -65.398
flat angles C4'-P-C4' energy: -69.815
flat angles P-C4'-P energy: -41.601
tors. eta vs tors. theta energy: -100.096
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: 7
=====================================
Write number: 410
Temperature: 1.150000
Total energy: -1119.412376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1119.412376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1119.412376 (E_RNA)
where:
Base-Base interactions energy: -758.468
where: short stacking energy: -340.346
Base-Backbone interact. energy: -2.296
local terms energy: -358.648909
where:
bonds (distance) C4'-P energy: -65.696
bonds (distance) P-C4' energy: -66.154
flat angles C4'-P-C4' energy: -74.695
flat angles P-C4'-P energy: -54.418
tors. eta vs tors. theta energy: -97.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 410
Temperature: 1.200000
Total energy: -891.809101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -891.809101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -891.809101 (E_RNA)
where:
Base-Base interactions energy: -573.124
where: short stacking energy: -251.853
Base-Backbone interact. energy: -1.730
local terms energy: -316.954651
where:
bonds (distance) C4'-P energy: -75.641
bonds (distance) P-C4' energy: -66.769
flat angles C4'-P-C4' energy: -63.681
flat angles P-C4'-P energy: -52.974
tors. eta vs tors. theta energy: -57.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 410
Temperature: 1.250000
Total energy: -789.949783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -789.949783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -789.949783 (E_RNA)
where:
Base-Base interactions energy: -504.179
where: short stacking energy: -226.463
Base-Backbone interact. energy: -0.709
local terms energy: -285.061034
where:
bonds (distance) C4'-P energy: -46.515
bonds (distance) P-C4' energy: -68.144
flat angles C4'-P-C4' energy: -67.475
flat angles P-C4'-P energy: -49.405
tors. eta vs tors. theta energy: -53.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 410
Temperature: 1.300000
Total energy: -704.167112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -704.167112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -704.167112 (E_RNA)
where:
Base-Base interactions energy: -448.513
where: short stacking energy: -220.430
Base-Backbone interact. energy: 0.919
local terms energy: -256.855713
where:
bonds (distance) C4'-P energy: -63.954
bonds (distance) P-C4' energy: -48.183
flat angles C4'-P-C4' energy: -65.979
flat angles P-C4'-P energy: -38.987
tors. eta vs tors. theta energy: -39.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.283 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 410
Temperature: 1.350000
Total energy: -382.945754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.945754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.945754 (E_RNA)
where:
Base-Base interactions energy: -172.052
where: short stacking energy: -111.887
Base-Backbone interact. energy: 1.644
local terms energy: -212.537770
where:
bonds (distance) C4'-P energy: -64.465
bonds (distance) P-C4' energy: -61.395
flat angles C4'-P-C4' energy: -54.397
flat angles P-C4'-P energy: -28.164
tors. eta vs tors. theta energy: -4.116
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: 1, replica: 5
=====================================
Write number: 411
Temperature: 0.900000
Total energy: -1401.205254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1401.205254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1401.205254 (E_RNA)
where:
Base-Base interactions energy: -979.589
where: short stacking energy: -404.199
Base-Backbone interact. energy: -0.517
local terms energy: -421.099004
where:
bonds (distance) C4'-P energy: -74.341
bonds (distance) P-C4' energy: -74.762
flat angles C4'-P-C4' energy: -94.454
flat angles P-C4'-P energy: -62.957
tors. eta vs tors. theta energy: -114.584
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: 411
Temperature: 0.950000
Total energy: -1345.751466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1345.751466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1345.751466 (E_RNA)
where:
Base-Base interactions energy: -936.467
where: short stacking energy: -389.683
Base-Backbone interact. energy: -0.701
local terms energy: -408.583524
where:
bonds (distance) C4'-P energy: -79.194
bonds (distance) P-C4' energy: -75.771
flat angles C4'-P-C4' energy: -82.081
flat angles P-C4'-P energy: -56.080
tors. eta vs tors. theta energy: -115.457
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: 6
=====================================
Write number: 411
Temperature: 1.000000
Total energy: -1303.743947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1303.743947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1303.743947 (E_RNA)
where:
Base-Base interactions energy: -925.523
where: short stacking energy: -370.581
Base-Backbone interact. energy: 1.648
local terms energy: -379.869744
where:
bonds (distance) C4'-P energy: -76.339
bonds (distance) P-C4' energy: -75.671
flat angles C4'-P-C4' energy: -76.816
flat angles P-C4'-P energy: -48.417
tors. eta vs tors. theta energy: -102.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 411
Temperature: 1.050000
Total energy: -1281.394506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1281.394506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1281.394506 (E_RNA)
where:
Base-Base interactions energy: -878.722
where: short stacking energy: -375.702
Base-Backbone interact. energy: -3.002
local terms energy: -400.094117
where:
bonds (distance) C4'-P energy: -65.137
bonds (distance) P-C4' energy: -77.585
flat angles C4'-P-C4' energy: -84.838
flat angles P-C4'-P energy: -61.149
tors. eta vs tors. theta energy: -111.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.424 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 411
Temperature: 1.100000
Total energy: -1221.236739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1221.236739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1221.236739 (E_RNA)
where:
Base-Base interactions energy: -853.584
where: short stacking energy: -333.809
Base-Backbone interact. energy: -0.280
local terms energy: -367.372893
where:
bonds (distance) C4'-P energy: -69.976
bonds (distance) P-C4' energy: -70.063
flat angles C4'-P-C4' energy: -82.387
flat angles P-C4'-P energy: -52.777
tors. eta vs tors. theta energy: -92.170
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: 6, replica: 7
=====================================
Write number: 411
Temperature: 1.150000
Total energy: -1139.754261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1139.754261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1139.754261 (E_RNA)
where:
Base-Base interactions energy: -768.874
where: short stacking energy: -346.779
Base-Backbone interact. energy: -2.602
local terms energy: -368.277914
where:
bonds (distance) C4'-P energy: -65.629
bonds (distance) P-C4' energy: -83.452
flat angles C4'-P-C4' energy: -75.703
flat angles P-C4'-P energy: -51.093
tors. eta vs tors. theta energy: -92.401
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: 2
=====================================
Write number: 411
Temperature: 1.200000
Total energy: -915.857980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -915.857980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -915.857980 (E_RNA)
where:
Base-Base interactions energy: -639.755
where: short stacking energy: -275.756
Base-Backbone interact. energy: 0.423
local terms energy: -276.525815
where:
bonds (distance) C4'-P energy: -61.929
bonds (distance) P-C4' energy: -50.761
flat angles C4'-P-C4' energy: -64.549
flat angles P-C4'-P energy: -28.365
tors. eta vs tors. theta energy: -70.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 411
Temperature: 1.250000
Total energy: -835.857127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -835.857127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -835.857127 (E_RNA)
where:
Base-Base interactions energy: -550.785
where: short stacking energy: -235.486
Base-Backbone interact. energy: -1.300
local terms energy: -283.772184
where:
bonds (distance) C4'-P energy: -64.517
bonds (distance) P-C4' energy: -74.254
flat angles C4'-P-C4' energy: -58.681
flat angles P-C4'-P energy: -41.373
tors. eta vs tors. theta energy: -44.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 411
Temperature: 1.300000
Total energy: -677.216164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -677.216164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -677.216164 (E_RNA)
where:
Base-Base interactions energy: -416.750
where: short stacking energy: -197.161
Base-Backbone interact. energy: 0.019
local terms energy: -260.484826
where:
bonds (distance) C4'-P energy: -62.636
bonds (distance) P-C4' energy: -59.324
flat angles C4'-P-C4' energy: -60.955
flat angles P-C4'-P energy: -37.476
tors. eta vs tors. theta energy: -40.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 411
Temperature: 1.350000
Total energy: -373.308059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.308059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.308059 (E_RNA)
where:
Base-Base interactions energy: -171.913
where: short stacking energy: -111.990
Base-Backbone interact. energy: 3.146
local terms energy: -204.541251
where:
bonds (distance) C4'-P energy: -59.474
bonds (distance) P-C4' energy: -69.335
flat angles C4'-P-C4' energy: -50.704
flat angles P-C4'-P energy: -36.361
tors. eta vs tors. theta energy: 11.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 412
Temperature: 0.900000
Total energy: -1403.487642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1403.487642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1403.487642 (E_RNA)
where:
Base-Base interactions energy: -989.245
where: short stacking energy: -399.324
Base-Backbone interact. energy: -2.250
local terms energy: -411.992836
where:
bonds (distance) C4'-P energy: -78.297
bonds (distance) P-C4' energy: -83.464
flat angles C4'-P-C4' energy: -85.384
flat angles P-C4'-P energy: -54.203
tors. eta vs tors. theta energy: -110.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 412
Temperature: 0.950000
Total energy: -1359.187120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1359.187120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1359.187120 (E_RNA)
where:
Base-Base interactions energy: -935.053
where: short stacking energy: -388.915
Base-Backbone interact. energy: -1.971
local terms energy: -422.163247
where:
bonds (distance) C4'-P energy: -72.077
bonds (distance) P-C4' energy: -76.606
flat angles C4'-P-C4' energy: -95.113
flat angles P-C4'-P energy: -66.737
tors. eta vs tors. theta energy: -111.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 412
Temperature: 1.000000
Total energy: -1321.832464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1321.832464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1321.832464 (E_RNA)
where:
Base-Base interactions energy: -909.101
where: short stacking energy: -400.693
Base-Backbone interact. energy: -0.821
local terms energy: -411.910921
where:
bonds (distance) C4'-P energy: -78.563
bonds (distance) P-C4' energy: -73.149
flat angles C4'-P-C4' energy: -86.401
flat angles P-C4'-P energy: -57.222
tors. eta vs tors. theta energy: -116.574
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: 6
=====================================
Write number: 412
Temperature: 1.050000
Total energy: -1256.048356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1256.048356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1256.048356 (E_RNA)
where:
Base-Base interactions energy: -872.173
where: short stacking energy: -345.784
Base-Backbone interact. energy: -2.890
local terms energy: -380.985599
where:
bonds (distance) C4'-P energy: -79.374
bonds (distance) P-C4' energy: -71.771
flat angles C4'-P-C4' energy: -85.771
flat angles P-C4'-P energy: -45.642
tors. eta vs tors. theta energy: -98.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 412
Temperature: 1.100000
Total energy: -1149.268942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1149.268942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1149.268942 (E_RNA)
where:
Base-Base interactions energy: -808.771
where: short stacking energy: -342.297
Base-Backbone interact. energy: -0.880
local terms energy: -339.618364
where:
bonds (distance) C4'-P energy: -61.620
bonds (distance) P-C4' energy: -62.326
flat angles C4'-P-C4' energy: -69.474
flat angles P-C4'-P energy: -50.990
tors. eta vs tors. theta energy: -95.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 412
Temperature: 1.150000
Total energy: -1201.953572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1201.953572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1201.953572 (E_RNA)
where:
Base-Base interactions energy: -833.284
where: short stacking energy: -339.664
Base-Backbone interact. energy: -0.811
local terms energy: -367.858855
where:
bonds (distance) C4'-P energy: -64.768
bonds (distance) P-C4' energy: -70.637
flat angles C4'-P-C4' energy: -85.369
flat angles P-C4'-P energy: -55.050
tors. eta vs tors. theta energy: -92.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 412
Temperature: 1.200000
Total energy: -934.038365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -934.038365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -934.038365 (E_RNA)
where:
Base-Base interactions energy: -625.842
where: short stacking energy: -267.679
Base-Backbone interact. energy: -1.885
local terms energy: -306.310723
where:
bonds (distance) C4'-P energy: -55.705
bonds (distance) P-C4' energy: -66.058
flat angles C4'-P-C4' energy: -71.017
flat angles P-C4'-P energy: -47.906
tors. eta vs tors. theta energy: -65.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 412
Temperature: 1.250000
Total energy: -827.187091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -827.187091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -827.187091 (E_RNA)
where:
Base-Base interactions energy: -534.858
where: short stacking energy: -248.360
Base-Backbone interact. energy: -0.301
local terms energy: -292.028281
where:
bonds (distance) C4'-P energy: -65.456
bonds (distance) P-C4' energy: -67.675
flat angles C4'-P-C4' energy: -68.273
flat angles P-C4'-P energy: -26.540
tors. eta vs tors. theta energy: -64.083
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: 10
=====================================
Write number: 412
Temperature: 1.300000
Total energy: -743.981015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -743.981015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -743.981015 (E_RNA)
where:
Base-Base interactions energy: -454.190
where: short stacking energy: -213.497
Base-Backbone interact. energy: -2.303
local terms energy: -287.488024
where:
bonds (distance) C4'-P energy: -72.427
bonds (distance) P-C4' energy: -72.062
flat angles C4'-P-C4' energy: -57.798
flat angles P-C4'-P energy: -45.624
tors. eta vs tors. theta energy: -39.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 412
Temperature: 1.350000
Total energy: -389.309815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.309815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.309815 (E_RNA)
where:
Base-Base interactions energy: -165.547
where: short stacking energy: -99.955
Base-Backbone interact. energy: 0.693
local terms energy: -224.455583
where:
bonds (distance) C4'-P energy: -59.417
bonds (distance) P-C4' energy: -69.132
flat angles C4'-P-C4' energy: -70.148
flat angles P-C4'-P energy: -31.070
tors. eta vs tors. theta energy: 5.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 413
Temperature: 0.900000
Total energy: -1411.440686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1411.440686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1411.440686 (E_RNA)
where:
Base-Base interactions energy: -993.097
where: short stacking energy: -402.088
Base-Backbone interact. energy: -1.606
local terms energy: -416.737414
where:
bonds (distance) C4'-P energy: -74.351
bonds (distance) P-C4' energy: -78.435
flat angles C4'-P-C4' energy: -83.656
flat angles P-C4'-P energy: -55.438
tors. eta vs tors. theta energy: -124.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 413
Temperature: 0.950000
Total energy: -1363.115522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1363.115522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1363.115522 (E_RNA)
where:
Base-Base interactions energy: -967.489
where: short stacking energy: -417.032
Base-Backbone interact. energy: -0.381
local terms energy: -395.245165
where:
bonds (distance) C4'-P energy: -70.495
bonds (distance) P-C4' energy: -66.390
flat angles C4'-P-C4' energy: -85.571
flat angles P-C4'-P energy: -61.483
tors. eta vs tors. theta energy: -111.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 413
Temperature: 1.000000
Total energy: -1313.009532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1313.009532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1313.009532 (E_RNA)
where:
Base-Base interactions energy: -902.950
where: short stacking energy: -389.609
Base-Backbone interact. energy: -1.597
local terms energy: -408.461801
where:
bonds (distance) C4'-P energy: -70.781
bonds (distance) P-C4' energy: -79.442
flat angles C4'-P-C4' energy: -86.581
flat angles P-C4'-P energy: -57.243
tors. eta vs tors. theta energy: -114.416
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: 7
=====================================
Write number: 413
Temperature: 1.050000
Total energy: -1211.936861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1211.936861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1211.936861 (E_RNA)
where:
Base-Base interactions energy: -837.165
where: short stacking energy: -367.658
Base-Backbone interact. energy: 2.001
local terms energy: -376.772657
where:
bonds (distance) C4'-P energy: -71.865
bonds (distance) P-C4' energy: -76.228
flat angles C4'-P-C4' energy: -70.677
flat angles P-C4'-P energy: -52.264
tors. eta vs tors. theta energy: -105.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 413
Temperature: 1.100000
Total energy: -1230.221159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1230.221159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1230.221159 (E_RNA)
where:
Base-Base interactions energy: -864.989
where: short stacking energy: -359.230
Base-Backbone interact. energy: -1.241
local terms energy: -363.991035
where:
bonds (distance) C4'-P energy: -60.485
bonds (distance) P-C4' energy: -74.051
flat angles C4'-P-C4' energy: -76.567
flat angles P-C4'-P energy: -53.667
tors. eta vs tors. theta energy: -99.221
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: 9
=====================================
Write number: 413
Temperature: 1.150000
Total energy: -1148.585692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1148.585692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1148.585692 (E_RNA)
where:
Base-Base interactions energy: -816.617
where: short stacking energy: -324.535
Base-Backbone interact. energy: -0.319
local terms energy: -331.649341
where:
bonds (distance) C4'-P energy: -59.128
bonds (distance) P-C4' energy: -54.707
flat angles C4'-P-C4' energy: -79.313
flat angles P-C4'-P energy: -47.727
tors. eta vs tors. theta energy: -90.775
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: 7, replica: 2
=====================================
Write number: 413
Temperature: 1.200000
Total energy: -928.629033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -928.629033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -928.629033 (E_RNA)
where:
Base-Base interactions energy: -622.656
where: short stacking energy: -269.375
Base-Backbone interact. energy: -1.709
local terms energy: -305.826495
where:
bonds (distance) C4'-P energy: -65.997
bonds (distance) P-C4' energy: -64.310
flat angles C4'-P-C4' energy: -66.498
flat angles P-C4'-P energy: -40.843
tors. eta vs tors. theta energy: -68.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.562 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 413
Temperature: 1.250000
Total energy: -824.123529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -824.123529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -824.123529 (E_RNA)
where:
Base-Base interactions energy: -538.950
where: short stacking energy: -234.950
Base-Backbone interact. energy: -0.856
local terms energy: -284.318198
where:
bonds (distance) C4'-P energy: -66.003
bonds (distance) P-C4' energy: -73.605
flat angles C4'-P-C4' energy: -55.372
flat angles P-C4'-P energy: -39.083
tors. eta vs tors. theta energy: -50.256
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: 10
=====================================
Write number: 413
Temperature: 1.300000
Total energy: -703.576089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -703.576089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -703.576089 (E_RNA)
where:
Base-Base interactions energy: -444.143
where: short stacking energy: -207.852
Base-Backbone interact. energy: 1.227
local terms energy: -261.020492
where:
bonds (distance) C4'-P energy: -67.726
bonds (distance) P-C4' energy: -59.843
flat angles C4'-P-C4' energy: -51.921
flat angles P-C4'-P energy: -39.997
tors. eta vs tors. theta energy: -41.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.361 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 413
Temperature: 1.350000
Total energy: -384.362539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.362539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.362539 (E_RNA)
where:
Base-Base interactions energy: -159.239
where: short stacking energy: -98.080
Base-Backbone interact. energy: -1.943
local terms energy: -223.179689
where:
bonds (distance) C4'-P energy: -64.673
bonds (distance) P-C4' energy: -73.518
flat angles C4'-P-C4' energy: -62.571
flat angles P-C4'-P energy: -37.290
tors. eta vs tors. theta energy: 14.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 414
Temperature: 0.900000
Total energy: -1410.178546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1410.178546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1410.178546 (E_RNA)
where:
Base-Base interactions energy: -987.783
where: short stacking energy: -404.927
Base-Backbone interact. energy: 0.037
local terms energy: -422.432659
where:
bonds (distance) C4'-P energy: -75.655
bonds (distance) P-C4' energy: -81.719
flat angles C4'-P-C4' energy: -84.750
flat angles P-C4'-P energy: -57.967
tors. eta vs tors. theta energy: -122.341
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: 3
=====================================
Write number: 414
Temperature: 0.950000
Total energy: -1332.208848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1332.208848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1332.208848 (E_RNA)
where:
Base-Base interactions energy: -952.360
where: short stacking energy: -414.516
Base-Backbone interact. energy: -1.228
local terms energy: -378.620772
where:
bonds (distance) C4'-P energy: -72.323
bonds (distance) P-C4' energy: -71.534
flat angles C4'-P-C4' energy: -79.285
flat angles P-C4'-P energy: -49.967
tors. eta vs tors. theta energy: -105.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 414
Temperature: 1.000000
Total energy: -1281.985150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1281.985150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1281.985150 (E_RNA)
where:
Base-Base interactions energy: -897.864
where: short stacking energy: -392.000
Base-Backbone interact. energy: -1.123
local terms energy: -382.997258
where:
bonds (distance) C4'-P energy: -66.093
bonds (distance) P-C4' energy: -71.746
flat angles C4'-P-C4' energy: -82.760
flat angles P-C4'-P energy: -50.185
tors. eta vs tors. theta energy: -112.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 414
Temperature: 1.050000
Total energy: -1175.375409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1175.375409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1175.375409 (E_RNA)
where:
Base-Base interactions energy: -815.565
where: short stacking energy: -354.433
Base-Backbone interact. energy: -1.095
local terms energy: -358.715397
where:
bonds (distance) C4'-P energy: -60.994
bonds (distance) P-C4' energy: -73.149
flat angles C4'-P-C4' energy: -72.213
flat angles P-C4'-P energy: -50.714
tors. eta vs tors. theta energy: -101.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 414
Temperature: 1.100000
Total energy: -1231.596460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1231.596460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1231.596460 (E_RNA)
where:
Base-Base interactions energy: -886.180
where: short stacking energy: -346.487
Base-Backbone interact. energy: -2.599
local terms energy: -342.817623
where:
bonds (distance) C4'-P energy: -64.096
bonds (distance) P-C4' energy: -68.117
flat angles C4'-P-C4' energy: -70.481
flat angles P-C4'-P energy: -47.823
tors. eta vs tors. theta energy: -92.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 414
Temperature: 1.150000
Total energy: -1213.503937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1213.503937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1213.503937 (E_RNA)
where:
Base-Base interactions energy: -849.861
where: short stacking energy: -346.929
Base-Backbone interact. energy: 1.468
local terms energy: -365.110570
where:
bonds (distance) C4'-P energy: -67.103
bonds (distance) P-C4' energy: -77.621
flat angles C4'-P-C4' energy: -75.608
flat angles P-C4'-P energy: -46.569
tors. eta vs tors. theta energy: -98.210
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: 7, replica: 2
=====================================
Write number: 414
Temperature: 1.200000
Total energy: -939.826293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -939.826293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -939.826293 (E_RNA)
where:
Base-Base interactions energy: -625.353
where: short stacking energy: -268.083
Base-Backbone interact. energy: -3.133
local terms energy: -311.340123
where:
bonds (distance) C4'-P energy: -61.764
bonds (distance) P-C4' energy: -70.900
flat angles C4'-P-C4' energy: -65.646
flat angles P-C4'-P energy: -48.130
tors. eta vs tors. theta energy: -64.900
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: 1
=====================================
Write number: 414
Temperature: 1.250000
Total energy: -833.376571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -833.376571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -833.376571 (E_RNA)
where:
Base-Base interactions energy: -524.069
where: short stacking energy: -247.583
Base-Backbone interact. energy: 0.324
local terms energy: -309.631500
where:
bonds (distance) C4'-P energy: -72.991
bonds (distance) P-C4' energy: -65.051
flat angles C4'-P-C4' energy: -72.757
flat angles P-C4'-P energy: -45.688
tors. eta vs tors. theta energy: -53.145
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: 10
=====================================
Write number: 414
Temperature: 1.300000
Total energy: -729.012345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -729.012345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -729.012345 (E_RNA)
where:
Base-Base interactions energy: -457.146
where: short stacking energy: -221.747
Base-Backbone interact. energy: 3.634
local terms energy: -275.500533
where:
bonds (distance) C4'-P energy: -54.677
bonds (distance) P-C4' energy: -66.696
flat angles C4'-P-C4' energy: -70.345
flat angles P-C4'-P energy: -36.367
tors. eta vs tors. theta energy: -47.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 414
Temperature: 1.350000
Total energy: -427.453669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.453669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.453669 (E_RNA)
where:
Base-Base interactions energy: -240.428
where: short stacking energy: -128.364
Base-Backbone interact. energy: -0.185
local terms energy: -186.840971
where:
bonds (distance) C4'-P energy: -64.720
bonds (distance) P-C4' energy: -58.356
flat angles C4'-P-C4' energy: -37.986
flat angles P-C4'-P energy: -25.715
tors. eta vs tors. theta energy: -0.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 415
Temperature: 0.900000
Total energy: -1398.830779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1398.830779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1398.830779 (E_RNA)
where:
Base-Base interactions energy: -970.397
where: short stacking energy: -384.100
Base-Backbone interact. energy: -1.778
local terms energy: -426.655865
where:
bonds (distance) C4'-P energy: -86.582
bonds (distance) P-C4' energy: -81.366
flat angles C4'-P-C4' energy: -86.629
flat angles P-C4'-P energy: -56.649
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: 2, replica: 8
=====================================
Write number: 415
Temperature: 0.950000
Total energy: -1369.621001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1369.621001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1369.621001 (E_RNA)
where:
Base-Base interactions energy: -949.155
where: short stacking energy: -415.204
Base-Backbone interact. energy: -1.936
local terms energy: -418.530345
where:
bonds (distance) C4'-P energy: -80.015
bonds (distance) P-C4' energy: -70.637
flat angles C4'-P-C4' energy: -87.664
flat angles P-C4'-P energy: -59.616
tors. eta vs tors. theta energy: -120.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 415
Temperature: 1.000000
Total energy: -1336.908839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1336.908839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1336.908839 (E_RNA)
where:
Base-Base interactions energy: -939.156
where: short stacking energy: -391.165
Base-Backbone interact. energy: -0.652
local terms energy: -397.101267
where:
bonds (distance) C4'-P energy: -73.731
bonds (distance) P-C4' energy: -76.570
flat angles C4'-P-C4' energy: -85.675
flat angles P-C4'-P energy: -55.963
tors. eta vs tors. theta energy: -105.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 415
Temperature: 1.050000
Total energy: -1278.951996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1278.951996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1278.951996 (E_RNA)
where:
Base-Base interactions energy: -911.382
where: short stacking energy: -366.425
Base-Backbone interact. energy: -2.191
local terms energy: -365.378393
where:
bonds (distance) C4'-P energy: -69.999
bonds (distance) P-C4' energy: -75.070
flat angles C4'-P-C4' energy: -73.417
flat angles P-C4'-P energy: -48.814
tors. eta vs tors. theta energy: -98.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 415
Temperature: 1.100000
Total energy: -1164.073607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1164.073607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1164.073607 (E_RNA)
where:
Base-Base interactions energy: -822.839
where: short stacking energy: -342.734
Base-Backbone interact. energy: -1.442
local terms energy: -339.792613
where:
bonds (distance) C4'-P energy: -59.787
bonds (distance) P-C4' energy: -64.259
flat angles C4'-P-C4' energy: -63.412
flat angles P-C4'-P energy: -53.201
tors. eta vs tors. theta energy: -99.133
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: 9
=====================================
Write number: 415
Temperature: 1.150000
Total energy: -1192.207120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1192.207120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1192.207120 (E_RNA)
where:
Base-Base interactions energy: -863.092
where: short stacking energy: -323.031
Base-Backbone interact. energy: -2.890
local terms energy: -326.224536
where:
bonds (distance) C4'-P energy: -59.121
bonds (distance) P-C4' energy: -61.170
flat angles C4'-P-C4' energy: -77.629
flat angles P-C4'-P energy: -40.795
tors. eta vs tors. theta energy: -87.509
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: 2
=====================================
Write number: 415
Temperature: 1.200000
Total energy: -907.920391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -907.920391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -907.920391 (E_RNA)
where:
Base-Base interactions energy: -585.688
where: short stacking energy: -257.505
Base-Backbone interact. energy: -0.587
local terms energy: -321.645308
where:
bonds (distance) C4'-P energy: -64.578
bonds (distance) P-C4' energy: -71.460
flat angles C4'-P-C4' energy: -76.100
flat angles P-C4'-P energy: -50.030
tors. eta vs tors. theta energy: -59.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 415
Temperature: 1.250000
Total energy: -785.721291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -785.721291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -785.721291 (E_RNA)
where:
Base-Base interactions energy: -488.631
where: short stacking energy: -233.088
Base-Backbone interact. energy: 4.521
local terms energy: -301.611574
where:
bonds (distance) C4'-P energy: -67.895
bonds (distance) P-C4' energy: -71.395
flat angles C4'-P-C4' energy: -80.178
flat angles P-C4'-P energy: -31.459
tors. eta vs tors. theta energy: -50.684
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: 10
=====================================
Write number: 415
Temperature: 1.300000
Total energy: -690.494699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -690.494699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -690.494699 (E_RNA)
where:
Base-Base interactions energy: -415.019
where: short stacking energy: -206.434
Base-Backbone interact. energy: 6.191
local terms energy: -281.666729
where:
bonds (distance) C4'-P energy: -62.618
bonds (distance) P-C4' energy: -79.549
flat angles C4'-P-C4' energy: -65.431
flat angles P-C4'-P energy: -41.972
tors. eta vs tors. theta energy: -32.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 415
Temperature: 1.350000
Total energy: -429.755712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.755712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.755712 (E_RNA)
where:
Base-Base interactions energy: -213.335
where: short stacking energy: -125.765
Base-Backbone interact. energy: -1.142
local terms energy: -215.776662
where:
bonds (distance) C4'-P energy: -66.192
bonds (distance) P-C4' energy: -61.636
flat angles C4'-P-C4' energy: -48.951
flat angles P-C4'-P energy: -31.163
tors. eta vs tors. theta energy: -7.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.498 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 416
Temperature: 0.900000
Total energy: -1417.717489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1417.717489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1417.717489 (E_RNA)
where:
Base-Base interactions energy: -989.737
where: short stacking energy: -410.238
Base-Backbone interact. energy: -0.947
local terms energy: -427.034385
where:
bonds (distance) C4'-P energy: -83.055
bonds (distance) P-C4' energy: -76.747
flat angles C4'-P-C4' energy: -89.353
flat angles P-C4'-P energy: -57.205
tors. eta vs tors. theta energy: -120.674
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: 8
=====================================
Write number: 416
Temperature: 0.950000
Total energy: -1370.840271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1370.840271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1370.840271 (E_RNA)
where:
Base-Base interactions energy: -945.240
where: short stacking energy: -406.716
Base-Backbone interact. energy: -1.247
local terms energy: -424.353343
where:
bonds (distance) C4'-P energy: -78.244
bonds (distance) P-C4' energy: -75.988
flat angles C4'-P-C4' energy: -87.094
flat angles P-C4'-P energy: -59.875
tors. eta vs tors. theta energy: -123.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 416
Temperature: 1.000000
Total energy: -1332.242684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1332.242684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1332.242684 (E_RNA)
where:
Base-Base interactions energy: -932.722
where: short stacking energy: -402.236
Base-Backbone interact. energy: 5.828
local terms energy: -405.348130
where:
bonds (distance) C4'-P energy: -80.288
bonds (distance) P-C4' energy: -76.593
flat angles C4'-P-C4' energy: -84.612
flat angles P-C4'-P energy: -48.287
tors. eta vs tors. theta energy: -115.568
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: 6
=====================================
Write number: 416
Temperature: 1.050000
Total energy: -1269.812358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1269.812358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1269.812358 (E_RNA)
where:
Base-Base interactions energy: -909.762
where: short stacking energy: -360.859
Base-Backbone interact. energy: -0.914
local terms energy: -359.136043
where:
bonds (distance) C4'-P energy: -80.680
bonds (distance) P-C4' energy: -59.387
flat angles C4'-P-C4' energy: -73.189
flat angles P-C4'-P energy: -50.662
tors. eta vs tors. theta energy: -95.218
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: 9
=====================================
Write number: 416
Temperature: 1.100000
Total energy: -1224.447884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1224.447884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1224.447884 (E_RNA)
where:
Base-Base interactions energy: -857.032
where: short stacking energy: -342.826
Base-Backbone interact. energy: 2.116
local terms energy: -369.532017
where:
bonds (distance) C4'-P energy: -56.642
bonds (distance) P-C4' energy: -75.568
flat angles C4'-P-C4' energy: -79.823
flat angles P-C4'-P energy: -56.120
tors. eta vs tors. theta energy: -101.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 416
Temperature: 1.150000
Total energy: -1133.355874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1133.355874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1133.355874 (E_RNA)
where:
Base-Base interactions energy: -768.772
where: short stacking energy: -317.116
Base-Backbone interact. energy: 0.467
local terms energy: -365.050408
where:
bonds (distance) C4'-P energy: -63.332
bonds (distance) P-C4' energy: -70.657
flat angles C4'-P-C4' energy: -79.586
flat angles P-C4'-P energy: -53.957
tors. eta vs tors. theta energy: -97.517
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: 2
=====================================
Write number: 416
Temperature: 1.200000
Total energy: -953.011165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -953.011165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -953.011165 (E_RNA)
where:
Base-Base interactions energy: -631.972
where: short stacking energy: -283.107
Base-Backbone interact. energy: 0.660
local terms energy: -321.698954
where:
bonds (distance) C4'-P energy: -67.889
bonds (distance) P-C4' energy: -71.904
flat angles C4'-P-C4' energy: -73.196
flat angles P-C4'-P energy: -40.735
tors. eta vs tors. theta energy: -67.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 416
Temperature: 1.250000
Total energy: -857.640080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -857.640080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -857.640080 (E_RNA)
where:
Base-Base interactions energy: -554.416
where: short stacking energy: -262.844
Base-Backbone interact. energy: -2.079
local terms energy: -301.144917
where:
bonds (distance) C4'-P energy: -58.107
bonds (distance) P-C4' energy: -83.966
flat angles C4'-P-C4' energy: -68.227
flat angles P-C4'-P energy: -34.028
tors. eta vs tors. theta energy: -56.817
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: 10
=====================================
Write number: 416
Temperature: 1.300000
Total energy: -713.634786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -713.634786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -713.634786 (E_RNA)
where:
Base-Base interactions energy: -433.937
where: short stacking energy: -205.322
Base-Backbone interact. energy: 3.304
local terms energy: -283.002643
where:
bonds (distance) C4'-P energy: -57.579
bonds (distance) P-C4' energy: -73.452
flat angles C4'-P-C4' energy: -64.174
flat angles P-C4'-P energy: -49.152
tors. eta vs tors. theta energy: -38.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 416
Temperature: 1.350000
Total energy: -389.383590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.383590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.383590 (E_RNA)
where:
Base-Base interactions energy: -192.729
where: short stacking energy: -103.462
Base-Backbone interact. energy: -3.507
local terms energy: -193.147704
where:
bonds (distance) C4'-P energy: -59.546
bonds (distance) P-C4' energy: -59.111
flat angles C4'-P-C4' energy: -54.824
flat angles P-C4'-P energy: -28.536
tors. eta vs tors. theta energy: 8.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 417
Temperature: 0.900000
Total energy: -1410.295928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1410.295928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1410.295928 (E_RNA)
where:
Base-Base interactions energy: -994.471
where: short stacking energy: -409.687
Base-Backbone interact. energy: -1.072
local terms energy: -414.752712
where:
bonds (distance) C4'-P energy: -75.836
bonds (distance) P-C4' energy: -78.481
flat angles C4'-P-C4' energy: -84.954
flat angles P-C4'-P energy: -57.386
tors. eta vs tors. theta energy: -118.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 417
Temperature: 0.950000
Total energy: -1344.867720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1344.867720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1344.867720 (E_RNA)
where:
Base-Base interactions energy: -924.251
where: short stacking energy: -410.764
Base-Backbone interact. energy: -2.321
local terms energy: -418.295623
where:
bonds (distance) C4'-P energy: -73.442
bonds (distance) P-C4' energy: -73.356
flat angles C4'-P-C4' energy: -85.790
flat angles P-C4'-P energy: -61.719
tors. eta vs tors. theta energy: -123.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 417
Temperature: 1.000000
Total energy: -1315.933143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1315.933143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1315.933143 (E_RNA)
where:
Base-Base interactions energy: -923.151
where: short stacking energy: -387.900
Base-Backbone interact. energy: -2.649
local terms energy: -390.132933
where:
bonds (distance) C4'-P energy: -64.045
bonds (distance) P-C4' energy: -88.219
flat angles C4'-P-C4' energy: -77.589
flat angles P-C4'-P energy: -53.753
tors. eta vs tors. theta energy: -106.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 417
Temperature: 1.050000
Total energy: -1275.403071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1275.403071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1275.403071 (E_RNA)
where:
Base-Base interactions energy: -912.576
where: short stacking energy: -364.579
Base-Backbone interact. energy: 0.173
local terms energy: -363.000033
where:
bonds (distance) C4'-P energy: -74.700
bonds (distance) P-C4' energy: -65.506
flat angles C4'-P-C4' energy: -70.548
flat angles P-C4'-P energy: -50.703
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: 5, replica: 6
=====================================
Write number: 417
Temperature: 1.100000
Total energy: -1207.083256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1207.083256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1207.083256 (E_RNA)
where:
Base-Base interactions energy: -853.136
where: short stacking energy: -343.891
Base-Backbone interact. energy: -3.103
local terms energy: -350.843717
where:
bonds (distance) C4'-P energy: -56.031
bonds (distance) P-C4' energy: -78.812
flat angles C4'-P-C4' energy: -80.116
flat angles P-C4'-P energy: -46.946
tors. eta vs tors. theta energy: -88.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 417
Temperature: 1.150000
Total energy: -1112.039982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1112.039982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1112.039982 (E_RNA)
where:
Base-Base interactions energy: -766.081
where: short stacking energy: -310.689
Base-Backbone interact. energy: -1.603
local terms energy: -344.356479
where:
bonds (distance) C4'-P energy: -65.573
bonds (distance) P-C4' energy: -78.722
flat angles C4'-P-C4' energy: -70.454
flat angles P-C4'-P energy: -43.204
tors. eta vs tors. theta energy: -86.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 417
Temperature: 1.200000
Total energy: -907.420476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -907.420476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -907.420476 (E_RNA)
where:
Base-Base interactions energy: -602.975
where: short stacking energy: -254.456
Base-Backbone interact. energy: -0.237
local terms energy: -304.209052
where:
bonds (distance) C4'-P energy: -51.649
bonds (distance) P-C4' energy: -68.918
flat angles C4'-P-C4' energy: -72.617
flat angles P-C4'-P energy: -46.734
tors. eta vs tors. theta energy: -64.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 417
Temperature: 1.250000
Total energy: -819.162044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -819.162044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -819.162044 (E_RNA)
where:
Base-Base interactions energy: -574.657
where: short stacking energy: -251.428
Base-Backbone interact. energy: 2.865
local terms energy: -247.370526
where:
bonds (distance) C4'-P energy: -60.477
bonds (distance) P-C4' energy: -67.173
flat angles C4'-P-C4' energy: -62.850
flat angles P-C4'-P energy: -10.326
tors. eta vs tors. theta energy: -46.544
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: 10
=====================================
Write number: 417
Temperature: 1.300000
Total energy: -735.529954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -735.529954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -735.529954 (E_RNA)
where:
Base-Base interactions energy: -459.068
where: short stacking energy: -221.940
Base-Backbone interact. energy: -0.283
local terms energy: -276.178423
where:
bonds (distance) C4'-P energy: -56.882
bonds (distance) P-C4' energy: -63.802
flat angles C4'-P-C4' energy: -68.111
flat angles P-C4'-P energy: -43.642
tors. eta vs tors. theta energy: -43.742
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: 4
=====================================
Write number: 417
Temperature: 1.350000
Total energy: -385.955708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.955708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.955708 (E_RNA)
where:
Base-Base interactions energy: -175.974
where: short stacking energy: -102.851
Base-Backbone interact. energy: 1.895
local terms energy: -211.876348
where:
bonds (distance) C4'-P energy: -65.975
bonds (distance) P-C4' energy: -76.244
flat angles C4'-P-C4' energy: -57.248
flat angles P-C4'-P energy: -18.130
tors. eta vs tors. theta energy: 5.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 418
Temperature: 0.900000
Total energy: -1407.413895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1407.413895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1407.413895 (E_RNA)
where:
Base-Base interactions energy: -984.179
where: short stacking energy: -402.789
Base-Backbone interact. energy: -2.644
local terms energy: -420.590576
where:
bonds (distance) C4'-P energy: -78.407
bonds (distance) P-C4' energy: -87.843
flat angles C4'-P-C4' energy: -78.568
flat angles P-C4'-P energy: -58.036
tors. eta vs tors. theta energy: -117.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 418
Temperature: 0.950000
Total energy: -1330.940923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1330.940923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1330.940923 (E_RNA)
where:
Base-Base interactions energy: -919.189
where: short stacking energy: -398.584
Base-Backbone interact. energy: -1.713
local terms energy: -410.038925
where:
bonds (distance) C4'-P energy: -67.262
bonds (distance) P-C4' energy: -78.552
flat angles C4'-P-C4' energy: -92.830
flat angles P-C4'-P energy: -53.988
tors. eta vs tors. theta energy: -117.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 418
Temperature: 1.000000
Total energy: -1337.375268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1337.375268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1337.375268 (E_RNA)
where:
Base-Base interactions energy: -936.460
where: short stacking energy: -396.296
Base-Backbone interact. energy: -0.381
local terms energy: -400.534023
where:
bonds (distance) C4'-P energy: -66.618
bonds (distance) P-C4' energy: -77.392
flat angles C4'-P-C4' energy: -82.991
flat angles P-C4'-P energy: -60.431
tors. eta vs tors. theta energy: -113.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 418
Temperature: 1.050000
Total energy: -1264.821574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1264.821574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1264.821574 (E_RNA)
where:
Base-Base interactions energy: -902.883
where: short stacking energy: -365.279
Base-Backbone interact. energy: -1.301
local terms energy: -360.636906
where:
bonds (distance) C4'-P energy: -60.744
bonds (distance) P-C4' energy: -69.959
flat angles C4'-P-C4' energy: -73.835
flat angles P-C4'-P energy: -53.988
tors. eta vs tors. theta energy: -102.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 418
Temperature: 1.100000
Total energy: -1199.943791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1199.943791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1199.943791 (E_RNA)
where:
Base-Base interactions energy: -846.465
where: short stacking energy: -340.468
Base-Backbone interact. energy: -0.561
local terms energy: -352.917578
where:
bonds (distance) C4'-P energy: -60.180
bonds (distance) P-C4' energy: -72.600
flat angles C4'-P-C4' energy: -81.201
flat angles P-C4'-P energy: -45.399
tors. eta vs tors. theta energy: -93.537
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: 7
=====================================
Write number: 418
Temperature: 1.150000
Total energy: -1086.518510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1086.518510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1086.518510 (E_RNA)
where:
Base-Base interactions energy: -746.052
where: short stacking energy: -310.991
Base-Backbone interact. energy: -1.135
local terms energy: -339.330894
where:
bonds (distance) C4'-P energy: -64.892
bonds (distance) P-C4' energy: -69.731
flat angles C4'-P-C4' energy: -82.271
flat angles P-C4'-P energy: -41.803
tors. eta vs tors. theta energy: -80.635
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: 7, replica: 1
=====================================
Write number: 418
Temperature: 1.200000
Total energy: -912.767010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -912.767010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -912.767010 (E_RNA)
where:
Base-Base interactions energy: -594.098
where: short stacking energy: -267.685
Base-Backbone interact. energy: -1.138
local terms energy: -317.531542
where:
bonds (distance) C4'-P energy: -54.646
bonds (distance) P-C4' energy: -77.572
flat angles C4'-P-C4' energy: -73.159
flat angles P-C4'-P energy: -41.822
tors. eta vs tors. theta energy: -70.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 418
Temperature: 1.250000
Total energy: -877.879271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -877.879271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -877.879271 (E_RNA)
where:
Base-Base interactions energy: -579.496
where: short stacking energy: -252.050
Base-Backbone interact. energy: 3.095
local terms energy: -302.512568
where:
bonds (distance) C4'-P energy: -60.080
bonds (distance) P-C4' energy: -62.486
flat angles C4'-P-C4' energy: -73.736
flat angles P-C4'-P energy: -37.992
tors. eta vs tors. theta energy: -68.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.034 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 418
Temperature: 1.300000
Total energy: -723.599187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -723.599187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -723.599187 (E_RNA)
where:
Base-Base interactions energy: -458.671
where: short stacking energy: -196.498
Base-Backbone interact. energy: -1.162
local terms energy: -263.766178
where:
bonds (distance) C4'-P energy: -64.349
bonds (distance) P-C4' energy: -57.088
flat angles C4'-P-C4' energy: -66.644
flat angles P-C4'-P energy: -36.187
tors. eta vs tors. theta energy: -39.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 418
Temperature: 1.350000
Total energy: -387.538346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.538346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.538346 (E_RNA)
where:
Base-Base interactions energy: -152.672
where: short stacking energy: -86.377
Base-Backbone interact. energy: 0.309
local terms energy: -235.175108
where:
bonds (distance) C4'-P energy: -76.064
bonds (distance) P-C4' energy: -57.147
flat angles C4'-P-C4' energy: -63.510
flat angles P-C4'-P energy: -38.008
tors. eta vs tors. theta energy: -0.446
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: 5
=====================================
Write number: 419
Temperature: 0.900000
Total energy: -1420.748712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1420.748712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1420.748712 (E_RNA)
where:
Base-Base interactions energy: -1005.918
where: short stacking energy: -415.720
Base-Backbone interact. energy: 2.893
local terms energy: -417.723238
where:
bonds (distance) C4'-P energy: -77.013
bonds (distance) P-C4' energy: -76.000
flat angles C4'-P-C4' energy: -83.395
flat angles P-C4'-P energy: -59.649
tors. eta vs tors. theta energy: -121.667
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: 419
Temperature: 0.950000
Total energy: -1343.613910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1343.613910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1343.613910 (E_RNA)
where:
Base-Base interactions energy: -927.148
where: short stacking energy: -379.712
Base-Backbone interact. energy: -4.794
local terms energy: -411.672218
where:
bonds (distance) C4'-P energy: -78.191
bonds (distance) P-C4' energy: -76.783
flat angles C4'-P-C4' energy: -91.186
flat angles P-C4'-P energy: -59.656
tors. eta vs tors. theta energy: -105.855
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: 8
=====================================
Write number: 419
Temperature: 1.000000
Total energy: -1278.971268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1278.971268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1278.971268 (E_RNA)
where:
Base-Base interactions energy: -882.079
where: short stacking energy: -367.552
Base-Backbone interact. energy: -1.283
local terms energy: -395.609937
where:
bonds (distance) C4'-P energy: -74.087
bonds (distance) P-C4' energy: -77.005
flat angles C4'-P-C4' energy: -88.482
flat angles P-C4'-P energy: -42.305
tors. eta vs tors. theta energy: -113.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 419
Temperature: 1.050000
Total energy: -1281.702942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1281.702942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1281.702942 (E_RNA)
where:
Base-Base interactions energy: -921.453
where: short stacking energy: -382.232
Base-Backbone interact. energy: 0.006
local terms energy: -360.255215
where:
bonds (distance) C4'-P energy: -57.397
bonds (distance) P-C4' energy: -70.310
flat angles C4'-P-C4' energy: -78.815
flat angles P-C4'-P energy: -50.541
tors. eta vs tors. theta energy: -103.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 419
Temperature: 1.100000
Total energy: -1199.313449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1199.313449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1199.313449 (E_RNA)
where:
Base-Base interactions energy: -837.979
where: short stacking energy: -347.097
Base-Backbone interact. energy: 0.531
local terms energy: -361.865264
where:
bonds (distance) C4'-P energy: -70.472
bonds (distance) P-C4' energy: -78.167
flat angles C4'-P-C4' energy: -74.949
flat angles P-C4'-P energy: -45.835
tors. eta vs tors. theta energy: -92.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 419
Temperature: 1.150000
Total energy: -1095.646261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1095.646261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1095.646261 (E_RNA)
where:
Base-Base interactions energy: -756.928
where: short stacking energy: -315.203
Base-Backbone interact. energy: -1.613
local terms energy: -337.105883
where:
bonds (distance) C4'-P energy: -56.990
bonds (distance) P-C4' energy: -72.771
flat angles C4'-P-C4' energy: -75.783
flat angles P-C4'-P energy: -52.047
tors. eta vs tors. theta energy: -79.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 419
Temperature: 1.200000
Total energy: -907.298458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -907.298458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -907.298458 (E_RNA)
where:
Base-Base interactions energy: -577.750
where: short stacking energy: -262.285
Base-Backbone interact. energy: -3.207
local terms energy: -326.341132
where:
bonds (distance) C4'-P energy: -67.907
bonds (distance) P-C4' energy: -73.025
flat angles C4'-P-C4' energy: -67.270
flat angles P-C4'-P energy: -44.305
tors. eta vs tors. theta energy: -73.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 419
Temperature: 1.250000
Total energy: -874.547878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -874.547878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -874.547878 (E_RNA)
where:
Base-Base interactions energy: -574.021
where: short stacking energy: -248.236
Base-Backbone interact. energy: 0.861
local terms energy: -301.388150
where:
bonds (distance) C4'-P energy: -66.930
bonds (distance) P-C4' energy: -61.304
flat angles C4'-P-C4' energy: -70.657
flat angles P-C4'-P energy: -45.089
tors. eta vs tors. theta energy: -57.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 419
Temperature: 1.300000
Total energy: -732.042127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -732.042127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -732.042127 (E_RNA)
where:
Base-Base interactions energy: -451.298
where: short stacking energy: -209.700
Base-Backbone interact. energy: 0.302
local terms energy: -281.045587
where:
bonds (distance) C4'-P energy: -68.867
bonds (distance) P-C4' energy: -62.823
flat angles C4'-P-C4' energy: -76.895
flat angles P-C4'-P energy: -34.201
tors. eta vs tors. theta energy: -38.260
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: 4
=====================================
Write number: 419
Temperature: 1.350000
Total energy: -380.273588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.273588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.273588 (E_RNA)
where:
Base-Base interactions energy: -187.513
where: short stacking energy: -98.014
Base-Backbone interact. energy: 0.188
local terms energy: -192.948684
where:
bonds (distance) C4'-P energy: -45.849
bonds (distance) P-C4' energy: -66.651
flat angles C4'-P-C4' energy: -52.298
flat angles P-C4'-P energy: -30.081
tors. eta vs tors. theta energy: 1.930
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: 5
=====================================
Write number: 420
Temperature: 0.900000
Total energy: -1422.484819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1422.484819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1422.484819 (E_RNA)
where:
Base-Base interactions energy: -985.331
where: short stacking energy: -416.659
Base-Backbone interact. energy: -2.148
local terms energy: -435.006045
where:
bonds (distance) C4'-P energy: -77.197
bonds (distance) P-C4' energy: -84.895
flat angles C4'-P-C4' energy: -90.785
flat angles P-C4'-P energy: -60.756
tors. eta vs tors. theta energy: -121.373
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: 3
=====================================
Write number: 420
Temperature: 0.950000
Total energy: -1335.909412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1335.909412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1335.909412 (E_RNA)
where:
Base-Base interactions energy: -948.073
where: short stacking energy: -396.565
Base-Backbone interact. energy: -3.325
local terms energy: -384.510990
where:
bonds (distance) C4'-P energy: -65.929
bonds (distance) P-C4' energy: -71.158
flat angles C4'-P-C4' energy: -86.098
flat angles P-C4'-P energy: -48.129
tors. eta vs tors. theta energy: -113.198
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: 8
=====================================
Write number: 420
Temperature: 1.000000
Total energy: -1289.828292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1289.828292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1289.828292 (E_RNA)
where:
Base-Base interactions energy: -887.655
where: short stacking energy: -391.487
Base-Backbone interact. energy: -0.672
local terms energy: -402.079005
where:
bonds (distance) C4'-P energy: -64.151
bonds (distance) P-C4' energy: -68.956
flat angles C4'-P-C4' energy: -80.118
flat angles P-C4'-P energy: -65.348
tors. eta vs tors. theta energy: -123.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.577 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 420
Temperature: 1.050000
Total energy: -1273.213706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1273.213706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1273.213706 (E_RNA)
where:
Base-Base interactions energy: -884.903
where: short stacking energy: -368.403
Base-Backbone interact. energy: -2.150
local terms energy: -386.161317
where:
bonds (distance) C4'-P energy: -66.567
bonds (distance) P-C4' energy: -80.141
flat angles C4'-P-C4' energy: -81.027
flat angles P-C4'-P energy: -58.669
tors. eta vs tors. theta energy: -99.757
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: 5, replica: 7
=====================================
Write number: 420
Temperature: 1.100000
Total energy: -1131.179007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1131.179007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1131.179007 (E_RNA)
where:
Base-Base interactions energy: -761.492
where: short stacking energy: -316.083
Base-Backbone interact. energy: -0.501
local terms energy: -369.185573
where:
bonds (distance) C4'-P energy: -77.573
bonds (distance) P-C4' energy: -78.344
flat angles C4'-P-C4' energy: -75.729
flat angles P-C4'-P energy: -55.798
tors. eta vs tors. theta energy: -81.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 420
Temperature: 1.150000
Total energy: -1179.089437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1179.089437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1179.089437 (E_RNA)
where:
Base-Base interactions energy: -841.179
where: short stacking energy: -350.727
Base-Backbone interact. energy: -2.893
local terms energy: -335.017140
where:
bonds (distance) C4'-P energy: -52.987
bonds (distance) P-C4' energy: -66.225
flat angles C4'-P-C4' energy: -74.358
flat angles P-C4'-P energy: -48.928
tors. eta vs tors. theta energy: -92.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 420
Temperature: 1.200000
Total energy: -926.979867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -926.979867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -926.979867 (E_RNA)
where:
Base-Base interactions energy: -628.502
where: short stacking energy: -282.636
Base-Backbone interact. energy: 5.828
local terms energy: -304.305493
where:
bonds (distance) C4'-P energy: -59.240
bonds (distance) P-C4' energy: -54.033
flat angles C4'-P-C4' energy: -75.043
flat angles P-C4'-P energy: -51.046
tors. eta vs tors. theta energy: -64.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 420
Temperature: 1.250000
Total energy: -859.669661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -859.669661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -859.669661 (E_RNA)
where:
Base-Base interactions energy: -554.022
where: short stacking energy: -251.581
Base-Backbone interact. energy: 3.066
local terms energy: -308.713700
where:
bonds (distance) C4'-P energy: -59.498
bonds (distance) P-C4' energy: -67.515
flat angles C4'-P-C4' energy: -76.822
flat angles P-C4'-P energy: -41.535
tors. eta vs tors. theta energy: -63.344
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: 10
=====================================
Write number: 420
Temperature: 1.300000
Total energy: -719.538604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -719.538604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -719.538604 (E_RNA)
where:
Base-Base interactions energy: -451.005
where: short stacking energy: -219.842
Base-Backbone interact. energy: 0.221
local terms energy: -268.754982
where:
bonds (distance) C4'-P energy: -54.033
bonds (distance) P-C4' energy: -66.750
flat angles C4'-P-C4' energy: -72.566
flat angles P-C4'-P energy: -32.343
tors. eta vs tors. theta energy: -43.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 420
Temperature: 1.350000
Total energy: -417.675083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.675083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.675083 (E_RNA)
where:
Base-Base interactions energy: -177.435
where: short stacking energy: -117.469
Base-Backbone interact. energy: 0.070
local terms energy: -240.310276
where:
bonds (distance) C4'-P energy: -64.855
bonds (distance) P-C4' energy: -71.153
flat angles C4'-P-C4' energy: -65.241
flat angles P-C4'-P energy: -37.804
tors. eta vs tors. theta energy: -1.257
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: 1, replica: 5
=====================================
Write number: 421
Temperature: 0.900000
Total energy: -1408.399014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1408.399014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1408.399014 (E_RNA)
where:
Base-Base interactions energy: -1009.166
where: short stacking energy: -415.906
Base-Backbone interact. energy: -2.276
local terms energy: -396.957348
where:
bonds (distance) C4'-P energy: -78.926
bonds (distance) P-C4' energy: -59.082
flat angles C4'-P-C4' energy: -80.922
flat angles P-C4'-P energy: -58.624
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: 3
=====================================
Write number: 421
Temperature: 0.950000
Total energy: -1348.534635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1348.534635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1348.534635 (E_RNA)
where:
Base-Base interactions energy: -934.143
where: short stacking energy: -383.208
Base-Backbone interact. energy: -0.777
local terms energy: -413.614553
where:
bonds (distance) C4'-P energy: -74.749
bonds (distance) P-C4' energy: -78.434
flat angles C4'-P-C4' energy: -90.580
flat angles P-C4'-P energy: -49.552
tors. eta vs tors. theta energy: -120.300
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: 8
=====================================
Write number: 421
Temperature: 1.000000
Total energy: -1310.142074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1310.142074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1310.142074 (E_RNA)
where:
Base-Base interactions energy: -905.139
where: short stacking energy: -375.918
Base-Backbone interact. energy: -0.785
local terms energy: -404.659549
where:
bonds (distance) C4'-P energy: -80.144
bonds (distance) P-C4' energy: -73.506
flat angles C4'-P-C4' energy: -87.167
flat angles P-C4'-P energy: -52.520
tors. eta vs tors. theta energy: -111.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.442 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 421
Temperature: 1.050000
Total energy: -1280.990273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1280.990273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1280.990273 (E_RNA)
where:
Base-Base interactions energy: -919.314
where: short stacking energy: -363.277
Base-Backbone interact. energy: -2.945
local terms energy: -358.730998
where:
bonds (distance) C4'-P energy: -65.580
bonds (distance) P-C4' energy: -76.634
flat angles C4'-P-C4' energy: -71.052
flat angles P-C4'-P energy: -40.268
tors. eta vs tors. theta energy: -105.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 421
Temperature: 1.100000
Total energy: -1137.036349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1137.036349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1137.036349 (E_RNA)
where:
Base-Base interactions energy: -776.168
where: short stacking energy: -323.046
Base-Backbone interact. energy: -0.873
local terms energy: -359.996252
where:
bonds (distance) C4'-P energy: -70.816
bonds (distance) P-C4' energy: -61.115
flat angles C4'-P-C4' energy: -80.790
flat angles P-C4'-P energy: -53.326
tors. eta vs tors. theta energy: -93.949
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: 6
=====================================
Write number: 421
Temperature: 1.150000
Total energy: -1166.771472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1166.771472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1166.771472 (E_RNA)
where:
Base-Base interactions energy: -814.613
where: short stacking energy: -351.176
Base-Backbone interact. energy: -2.791
local terms energy: -349.367611
where:
bonds (distance) C4'-P energy: -54.281
bonds (distance) P-C4' energy: -75.559
flat angles C4'-P-C4' energy: -82.572
flat angles P-C4'-P energy: -44.281
tors. eta vs tors. theta energy: -92.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 421
Temperature: 1.200000
Total energy: -933.778411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -933.778411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -933.778411 (E_RNA)
where:
Base-Base interactions energy: -601.589
where: short stacking energy: -279.970
Base-Backbone interact. energy: -0.399
local terms energy: -332.444251
where:
bonds (distance) C4'-P energy: -60.980
bonds (distance) P-C4' energy: -76.381
flat angles C4'-P-C4' energy: -79.532
flat angles P-C4'-P energy: -36.949
tors. eta vs tors. theta energy: -78.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.653 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 421
Temperature: 1.250000
Total energy: -889.145879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -889.145879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -889.145879 (E_RNA)
where:
Base-Base interactions energy: -598.299
where: short stacking energy: -251.068
Base-Backbone interact. energy: -0.573
local terms energy: -290.274249
where:
bonds (distance) C4'-P energy: -66.358
bonds (distance) P-C4' energy: -61.370
flat angles C4'-P-C4' energy: -63.882
flat angles P-C4'-P energy: -40.721
tors. eta vs tors. theta energy: -57.943
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: 10
=====================================
Write number: 421
Temperature: 1.300000
Total energy: -747.310607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -747.310607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -747.310607 (E_RNA)
where:
Base-Base interactions energy: -454.744
where: short stacking energy: -212.955
Base-Backbone interact. energy: -0.855
local terms energy: -291.711336
where:
bonds (distance) C4'-P energy: -74.320
bonds (distance) P-C4' energy: -72.115
flat angles C4'-P-C4' energy: -61.699
flat angles P-C4'-P energy: -41.329
tors. eta vs tors. theta energy: -42.248
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: 4
=====================================
Write number: 421
Temperature: 1.350000
Total energy: -426.400755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.400755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.400755 (E_RNA)
where:
Base-Base interactions energy: -211.275
where: short stacking energy: -119.521
Base-Backbone interact. energy: 1.269
local terms energy: -216.394120
where:
bonds (distance) C4'-P energy: -59.577
bonds (distance) P-C4' energy: -75.192
flat angles C4'-P-C4' energy: -56.332
flat angles P-C4'-P energy: -24.458
tors. eta vs tors. theta energy: -0.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 422
Temperature: 0.900000
Total energy: -1406.378768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1406.378768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1406.378768 (E_RNA)
where:
Base-Base interactions energy: -993.841
where: short stacking energy: -410.755
Base-Backbone interact. energy: -1.584
local terms energy: -410.953424
where:
bonds (distance) C4'-P energy: -69.036
bonds (distance) P-C4' energy: -78.891
flat angles C4'-P-C4' energy: -80.336
flat angles P-C4'-P energy: -61.818
tors. eta vs tors. theta energy: -120.872
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: 2, replica: 3
=====================================
Write number: 422
Temperature: 0.950000
Total energy: -1346.079492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1346.079492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1346.079492 (E_RNA)
where:
Base-Base interactions energy: -946.944
where: short stacking energy: -404.541
Base-Backbone interact. energy: -2.183
local terms energy: -396.952940
where:
bonds (distance) C4'-P energy: -62.575
bonds (distance) P-C4' energy: -74.820
flat angles C4'-P-C4' energy: -87.286
flat angles P-C4'-P energy: -59.425
tors. eta vs tors. theta energy: -112.847
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: 3, replica: 8
=====================================
Write number: 422
Temperature: 1.000000
Total energy: -1314.606287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1314.606287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1314.606287 (E_RNA)
where:
Base-Base interactions energy: -919.016
where: short stacking energy: -386.616
Base-Backbone interact. energy: -2.122
local terms energy: -393.467994
where:
bonds (distance) C4'-P energy: -62.073
bonds (distance) P-C4' energy: -73.529
flat angles C4'-P-C4' energy: -77.837
flat angles P-C4'-P energy: -63.493
tors. eta vs tors. theta energy: -116.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 422
Temperature: 1.050000
Total energy: -1232.692404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1232.692404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1232.692404 (E_RNA)
where:
Base-Base interactions energy: -873.400
where: short stacking energy: -357.516
Base-Backbone interact. energy: 2.352
local terms energy: -361.644780
where:
bonds (distance) C4'-P energy: -72.860
bonds (distance) P-C4' energy: -72.825
flat angles C4'-P-C4' energy: -81.973
flat angles P-C4'-P energy: -44.026
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: 5, replica: 6
=====================================
Write number: 422
Temperature: 1.100000
Total energy: -1262.348159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1262.348159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1262.348159 (E_RNA)
where:
Base-Base interactions energy: -895.976
where: short stacking energy: -355.320
Base-Backbone interact. energy: 1.735
local terms energy: -368.106751
where:
bonds (distance) C4'-P energy: -69.852
bonds (distance) P-C4' energy: -66.657
flat angles C4'-P-C4' energy: -82.918
flat angles P-C4'-P energy: -46.412
tors. eta vs tors. theta energy: -102.268
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: 6, replica: 7
=====================================
Write number: 422
Temperature: 1.150000
Total energy: -1129.244559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1129.244559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1129.244559 (E_RNA)
where:
Base-Base interactions energy: -778.528
where: short stacking energy: -318.941
Base-Backbone interact. energy: -1.468
local terms energy: -349.248672
where:
bonds (distance) C4'-P energy: -74.287
bonds (distance) P-C4' energy: -64.629
flat angles C4'-P-C4' energy: -76.986
flat angles P-C4'-P energy: -41.353
tors. eta vs tors. theta energy: -91.994
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: 7, replica: 2
=====================================
Write number: 422
Temperature: 1.200000
Total energy: -892.867588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -892.867588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -892.867588 (E_RNA)
where:
Base-Base interactions energy: -595.278
where: short stacking energy: -259.682
Base-Backbone interact. energy: 1.928
local terms energy: -299.517936
where:
bonds (distance) C4'-P energy: -65.616
bonds (distance) P-C4' energy: -71.855
flat angles C4'-P-C4' energy: -59.912
flat angles P-C4'-P energy: -36.530
tors. eta vs tors. theta energy: -65.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 422
Temperature: 1.250000
Total energy: -885.842256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -885.842256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -885.842256 (E_RNA)
where:
Base-Base interactions energy: -589.214
where: short stacking energy: -267.138
Base-Backbone interact. energy: -0.010
local terms energy: -296.618434
where:
bonds (distance) C4'-P energy: -65.522
bonds (distance) P-C4' energy: -64.005
flat angles C4'-P-C4' energy: -66.610
flat angles P-C4'-P energy: -42.179
tors. eta vs tors. theta energy: -58.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 422
Temperature: 1.300000
Total energy: -784.575385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -784.575385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -784.575385 (E_RNA)
where:
Base-Base interactions energy: -495.013
where: short stacking energy: -229.814
Base-Backbone interact. energy: -1.321
local terms energy: -288.449254
where:
bonds (distance) C4'-P energy: -67.294
bonds (distance) P-C4' energy: -61.359
flat angles C4'-P-C4' energy: -73.049
flat angles P-C4'-P energy: -35.322
tors. eta vs tors. theta energy: -51.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.208 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 422
Temperature: 1.350000
Total energy: -423.257304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.257304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.257304 (E_RNA)
where:
Base-Base interactions energy: -230.000
where: short stacking energy: -129.095
Base-Backbone interact. energy: 2.295
local terms energy: -195.551878
where:
bonds (distance) C4'-P energy: -62.706
bonds (distance) P-C4' energy: -53.512
flat angles C4'-P-C4' energy: -50.787
flat angles P-C4'-P energy: -25.008
tors. eta vs tors. theta energy: -3.539
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: 5
=====================================
Write number: 423
Temperature: 0.900000
Total energy: -1426.334699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1426.334699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1426.334699 (E_RNA)
where:
Base-Base interactions energy: -993.932
where: short stacking energy: -424.019
Base-Backbone interact. energy: -0.527
local terms energy: -431.875920
where:
bonds (distance) C4'-P energy: -83.745
bonds (distance) P-C4' energy: -81.317
flat angles C4'-P-C4' energy: -81.988
flat angles P-C4'-P energy: -61.113
tors. eta vs tors. theta energy: -123.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 423
Temperature: 0.950000
Total energy: -1360.447275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1360.447275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1360.447275 (E_RNA)
where:
Base-Base interactions energy: -952.419
where: short stacking energy: -398.819
Base-Backbone interact. energy: -1.746
local terms energy: -406.281794
where:
bonds (distance) C4'-P energy: -73.529
bonds (distance) P-C4' energy: -84.881
flat angles C4'-P-C4' energy: -77.939
flat angles P-C4'-P energy: -55.920
tors. eta vs tors. theta energy: -114.012
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: 8
=====================================
Write number: 423
Temperature: 1.000000
Total energy: -1309.358014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1309.358014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1309.358014 (E_RNA)
where:
Base-Base interactions energy: -916.413
where: short stacking energy: -399.573
Base-Backbone interact. energy: 1.033
local terms energy: -393.978138
where:
bonds (distance) C4'-P energy: -65.138
bonds (distance) P-C4' energy: -75.299
flat angles C4'-P-C4' energy: -81.655
flat angles P-C4'-P energy: -51.269
tors. eta vs tors. theta energy: -120.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 423
Temperature: 1.050000
Total energy: -1265.841816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1265.841816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1265.841816 (E_RNA)
where:
Base-Base interactions energy: -892.600
where: short stacking energy: -353.641
Base-Backbone interact. energy: -0.649
local terms energy: -372.592474
where:
bonds (distance) C4'-P energy: -66.218
bonds (distance) P-C4' energy: -69.295
flat angles C4'-P-C4' energy: -79.522
flat angles P-C4'-P energy: -54.218
tors. eta vs tors. theta energy: -103.340
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: 5, replica: 9
=====================================
Write number: 423
Temperature: 1.100000
Total energy: -1224.763790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1224.763790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1224.763790 (E_RNA)
where:
Base-Base interactions energy: -873.063
where: short stacking energy: -334.065
Base-Backbone interact. energy: 0.035
local terms energy: -351.736142
where:
bonds (distance) C4'-P energy: -70.191
bonds (distance) P-C4' energy: -73.355
flat angles C4'-P-C4' energy: -78.384
flat angles P-C4'-P energy: -44.135
tors. eta vs tors. theta energy: -85.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 423
Temperature: 1.150000
Total energy: -1112.237412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1112.237412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1112.237412 (E_RNA)
where:
Base-Base interactions energy: -762.252
where: short stacking energy: -318.972
Base-Backbone interact. energy: 1.196
local terms energy: -351.182151
where:
bonds (distance) C4'-P energy: -68.544
bonds (distance) P-C4' energy: -62.137
flat angles C4'-P-C4' energy: -72.609
flat angles P-C4'-P energy: -50.912
tors. eta vs tors. theta energy: -96.980
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: 2
=====================================
Write number: 423
Temperature: 1.200000
Total energy: -908.876863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -908.876863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -908.876863 (E_RNA)
where:
Base-Base interactions energy: -580.549
where: short stacking energy: -259.907
Base-Backbone interact. energy: 0.426
local terms energy: -328.753453
where:
bonds (distance) C4'-P energy: -63.867
bonds (distance) P-C4' energy: -74.149
flat angles C4'-P-C4' energy: -66.611
flat angles P-C4'-P energy: -53.794
tors. eta vs tors. theta energy: -70.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 423
Temperature: 1.250000
Total energy: -879.832690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -879.832690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -879.832690 (E_RNA)
where:
Base-Base interactions energy: -579.434
where: short stacking energy: -258.406
Base-Backbone interact. energy: -2.123
local terms energy: -298.275995
where:
bonds (distance) C4'-P energy: -61.458
bonds (distance) P-C4' energy: -62.569
flat angles C4'-P-C4' energy: -74.538
flat angles P-C4'-P energy: -40.178
tors. eta vs tors. theta energy: -59.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 423
Temperature: 1.300000
Total energy: -725.649539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -725.649539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -725.649539 (E_RNA)
where:
Base-Base interactions energy: -464.913
where: short stacking energy: -215.807
Base-Backbone interact. energy: 0.401
local terms energy: -261.136727
where:
bonds (distance) C4'-P energy: -58.632
bonds (distance) P-C4' energy: -63.781
flat angles C4'-P-C4' energy: -57.241
flat angles P-C4'-P energy: -38.134
tors. eta vs tors. theta energy: -43.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 423
Temperature: 1.350000
Total energy: -408.427166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.427166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.427166 (E_RNA)
where:
Base-Base interactions energy: -194.907
where: short stacking energy: -111.387
Base-Backbone interact. energy: 11.252
local terms energy: -224.772907
where:
bonds (distance) C4'-P energy: -60.492
bonds (distance) P-C4' energy: -69.352
flat angles C4'-P-C4' energy: -69.280
flat angles P-C4'-P energy: -29.590
tors. eta vs tors. theta energy: 3.941
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: 1, replica: 5
=====================================
Write number: 424
Temperature: 0.900000
Total energy: -1422.212314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1422.212314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1422.212314 (E_RNA)
where:
Base-Base interactions energy: -988.368
where: short stacking energy: -415.065
Base-Backbone interact. energy: -0.996
local terms energy: -432.848983
where:
bonds (distance) C4'-P energy: -78.857
bonds (distance) P-C4' energy: -85.838
flat angles C4'-P-C4' energy: -89.150
flat angles P-C4'-P energy: -56.983
tors. eta vs tors. theta energy: -122.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 424
Temperature: 0.950000
Total energy: -1357.629315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1357.629315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1357.629315 (E_RNA)
where:
Base-Base interactions energy: -942.003
where: short stacking energy: -403.816
Base-Backbone interact. energy: -1.024
local terms energy: -414.601983
where:
bonds (distance) C4'-P energy: -76.918
bonds (distance) P-C4' energy: -81.588
flat angles C4'-P-C4' energy: -90.877
flat angles P-C4'-P energy: -54.146
tors. eta vs tors. theta energy: -111.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 424
Temperature: 1.000000
Total energy: -1308.134344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1308.134344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1308.134344 (E_RNA)
where:
Base-Base interactions energy: -906.288
where: short stacking energy: -377.827
Base-Backbone interact. energy: -1.986
local terms energy: -401.150884
where:
bonds (distance) C4'-P energy: -72.346
bonds (distance) P-C4' energy: -63.788
flat angles C4'-P-C4' energy: -82.580
flat angles P-C4'-P energy: -63.727
tors. eta vs tors. theta energy: -118.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.290 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 424
Temperature: 1.050000
Total energy: -1295.251971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1295.251971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1295.251971 (E_RNA)
where:
Base-Base interactions energy: -913.464
where: short stacking energy: -363.109
Base-Backbone interact. energy: -0.708
local terms energy: -381.079796
where:
bonds (distance) C4'-P energy: -67.516
bonds (distance) P-C4' energy: -76.687
flat angles C4'-P-C4' energy: -79.192
flat angles P-C4'-P energy: -55.661
tors. eta vs tors. theta energy: -102.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 424
Temperature: 1.100000
Total energy: -1211.069693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1211.069693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1211.069693 (E_RNA)
where:
Base-Base interactions energy: -873.261
where: short stacking energy: -348.768
Base-Backbone interact. energy: -1.510
local terms energy: -336.298975
where:
bonds (distance) C4'-P energy: -72.152
bonds (distance) P-C4' energy: -64.390
flat angles C4'-P-C4' energy: -73.915
flat angles P-C4'-P energy: -46.393
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: 7
=====================================
Write number: 424
Temperature: 1.150000
Total energy: -1110.691350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1110.691350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1110.691350 (E_RNA)
where:
Base-Base interactions energy: -742.047
where: short stacking energy: -315.633
Base-Backbone interact. energy: -2.871
local terms energy: -365.773811
where:
bonds (distance) C4'-P energy: -67.690
bonds (distance) P-C4' energy: -77.339
flat angles C4'-P-C4' energy: -79.993
flat angles P-C4'-P energy: -44.803
tors. eta vs tors. theta energy: -95.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 424
Temperature: 1.200000
Total energy: -946.238225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -946.238225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -946.238225 (E_RNA)
where:
Base-Base interactions energy: -620.132
where: short stacking energy: -277.268
Base-Backbone interact. energy: -1.040
local terms energy: -325.065603
where:
bonds (distance) C4'-P energy: -63.256
bonds (distance) P-C4' energy: -68.305
flat angles C4'-P-C4' energy: -62.924
flat angles P-C4'-P energy: -57.806
tors. eta vs tors. theta energy: -72.773
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: 1
=====================================
Write number: 424
Temperature: 1.250000
Total energy: -855.133198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -855.133198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -855.133198 (E_RNA)
where:
Base-Base interactions energy: -565.754
where: short stacking energy: -239.052
Base-Backbone interact. energy: 1.439
local terms energy: -290.818751
where:
bonds (distance) C4'-P energy: -71.356
bonds (distance) P-C4' energy: -70.074
flat angles C4'-P-C4' energy: -68.557
flat angles P-C4'-P energy: -32.782
tors. eta vs tors. theta energy: -48.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 424
Temperature: 1.300000
Total energy: -696.117192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -696.117192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -696.117192 (E_RNA)
where:
Base-Base interactions energy: -440.617
where: short stacking energy: -202.221
Base-Backbone interact. energy: -0.737
local terms energy: -254.763224
where:
bonds (distance) C4'-P energy: -62.472
bonds (distance) P-C4' energy: -59.703
flat angles C4'-P-C4' energy: -63.349
flat angles P-C4'-P energy: -36.250
tors. eta vs tors. theta energy: -32.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 424
Temperature: 1.350000
Total energy: -400.358504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.358504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -400.358504 (E_RNA)
where:
Base-Base interactions energy: -196.542
where: short stacking energy: -120.184
Base-Backbone interact. energy: 4.942
local terms energy: -208.758468
where:
bonds (distance) C4'-P energy: -55.747
bonds (distance) P-C4' energy: -58.695
flat angles C4'-P-C4' energy: -62.448
flat angles P-C4'-P energy: -38.996
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: 5
=====================================
Write number: 425
Temperature: 0.900000
Total energy: -1426.030187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1426.030187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1426.030187 (E_RNA)
where:
Base-Base interactions energy: -992.846
where: short stacking energy: -414.829
Base-Backbone interact. energy: -1.475
local terms energy: -431.809793
where:
bonds (distance) C4'-P energy: -79.960
bonds (distance) P-C4' energy: -79.613
flat angles C4'-P-C4' energy: -88.982
flat angles P-C4'-P energy: -63.174
tors. eta vs tors. theta energy: -120.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.100 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 425
Temperature: 0.950000
Total energy: -1338.958494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1338.958494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1338.958494 (E_RNA)
where:
Base-Base interactions energy: -919.903
where: short stacking energy: -399.672
Base-Backbone interact. energy: -0.989
local terms energy: -418.066234
where:
bonds (distance) C4'-P energy: -70.809
bonds (distance) P-C4' energy: -86.296
flat angles C4'-P-C4' energy: -83.127
flat angles P-C4'-P energy: -58.178
tors. eta vs tors. theta energy: -119.656
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: 3, replica: 3
=====================================
Write number: 425
Temperature: 1.000000
Total energy: -1306.210930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1306.210930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1306.210930 (E_RNA)
where:
Base-Base interactions energy: -907.887
where: short stacking energy: -386.885
Base-Backbone interact. energy: -1.017
local terms energy: -397.306899
where:
bonds (distance) C4'-P energy: -71.934
bonds (distance) P-C4' energy: -79.152
flat angles C4'-P-C4' energy: -81.662
flat angles P-C4'-P energy: -58.650
tors. eta vs tors. theta energy: -105.909
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: 6
=====================================
Write number: 425
Temperature: 1.050000
Total energy: -1280.311368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1280.311368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1280.311368 (E_RNA)
where:
Base-Base interactions energy: -919.636
where: short stacking energy: -365.639
Base-Backbone interact. energy: -2.337
local terms energy: -358.338242
where:
bonds (distance) C4'-P energy: -63.501
bonds (distance) P-C4' energy: -72.507
flat angles C4'-P-C4' energy: -75.666
flat angles P-C4'-P energy: -48.717
tors. eta vs tors. theta energy: -97.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 425
Temperature: 1.100000
Total energy: -1210.877281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1210.877281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1210.877281 (E_RNA)
where:
Base-Base interactions energy: -864.027
where: short stacking energy: -328.107
Base-Backbone interact. energy: 0.162
local terms energy: -347.012214
where:
bonds (distance) C4'-P energy: -65.655
bonds (distance) P-C4' energy: -74.205
flat angles C4'-P-C4' energy: -74.130
flat angles P-C4'-P energy: -44.952
tors. eta vs tors. theta energy: -88.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 425
Temperature: 1.150000
Total energy: -1106.118143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1106.118143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1106.118143 (E_RNA)
where:
Base-Base interactions energy: -741.757
where: short stacking energy: -309.222
Base-Backbone interact. energy: 0.535
local terms energy: -364.896272
where:
bonds (distance) C4'-P energy: -71.150
bonds (distance) P-C4' energy: -80.054
flat angles C4'-P-C4' energy: -73.199
flat angles P-C4'-P energy: -51.066
tors. eta vs tors. theta energy: -89.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 425
Temperature: 1.200000
Total energy: -933.702441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -933.702441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -933.702441 (E_RNA)
where:
Base-Base interactions energy: -624.573
where: short stacking energy: -266.376
Base-Backbone interact. energy: -0.923
local terms energy: -308.206317
where:
bonds (distance) C4'-P energy: -64.504
bonds (distance) P-C4' energy: -79.318
flat angles C4'-P-C4' energy: -66.112
flat angles P-C4'-P energy: -32.224
tors. eta vs tors. theta energy: -66.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 425
Temperature: 1.250000
Total energy: -866.933175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -866.933175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -866.933175 (E_RNA)
where:
Base-Base interactions energy: -546.497
where: short stacking energy: -251.640
Base-Backbone interact. energy: -1.705
local terms energy: -318.730450
where:
bonds (distance) C4'-P energy: -67.857
bonds (distance) P-C4' energy: -63.550
flat angles C4'-P-C4' energy: -74.999
flat angles P-C4'-P energy: -50.452
tors. eta vs tors. theta energy: -61.873
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: 9, replica: 10
=====================================
Write number: 425
Temperature: 1.300000
Total energy: -709.292482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -709.292482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -709.292482 (E_RNA)
where:
Base-Base interactions energy: -438.956
where: short stacking energy: -204.909
Base-Backbone interact. energy: 1.173
local terms energy: -271.509516
where:
bonds (distance) C4'-P energy: -57.637
bonds (distance) P-C4' energy: -62.897
flat angles C4'-P-C4' energy: -67.387
flat angles P-C4'-P energy: -39.799
tors. eta vs tors. theta energy: -43.790
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: 4
=====================================
Write number: 425
Temperature: 1.350000
Total energy: -421.595344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.595344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.595344 (E_RNA)
where:
Base-Base interactions energy: -200.967
where: short stacking energy: -127.928
Base-Backbone interact. energy: 0.561
local terms energy: -222.103102
where:
bonds (distance) C4'-P energy: -69.418
bonds (distance) P-C4' energy: -58.808
flat angles C4'-P-C4' energy: -56.305
flat angles P-C4'-P energy: -27.479
tors. eta vs tors. theta energy: -10.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.914 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 426
Temperature: 0.900000
Total energy: -1416.023936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1416.023936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1416.023936 (E_RNA)
where:
Base-Base interactions energy: -1009.351
where: short stacking energy: -426.304
Base-Backbone interact. energy: -1.804
local terms energy: -404.868606
where:
bonds (distance) C4'-P energy: -77.510
bonds (distance) P-C4' energy: -75.895
flat angles C4'-P-C4' energy: -71.262
flat angles P-C4'-P energy: -56.240
tors. eta vs tors. theta energy: -123.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 426
Temperature: 0.950000
Total energy: -1327.080507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1327.080507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1327.080507 (E_RNA)
where:
Base-Base interactions energy: -917.872
where: short stacking energy: -377.292
Base-Backbone interact. energy: -4.237
local terms energy: -404.971226
where:
bonds (distance) C4'-P energy: -71.637
bonds (distance) P-C4' energy: -74.863
flat angles C4'-P-C4' energy: -82.251
flat angles P-C4'-P energy: -59.054
tors. eta vs tors. theta energy: -117.166
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: 3, replica: 3
=====================================
Write number: 426
Temperature: 1.000000
Total energy: -1322.635241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1322.635241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1322.635241 (E_RNA)
where:
Base-Base interactions energy: -919.686
where: short stacking energy: -380.108
Base-Backbone interact. energy: -2.600
local terms energy: -400.349454
where:
bonds (distance) C4'-P energy: -68.762
bonds (distance) P-C4' energy: -79.359
flat angles C4'-P-C4' energy: -85.018
flat angles P-C4'-P energy: -53.210
tors. eta vs tors. theta energy: -114.000
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: 6
=====================================
Write number: 426
Temperature: 1.050000
Total energy: -1279.970204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1279.970204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1279.970204 (E_RNA)
where:
Base-Base interactions energy: -919.293
where: short stacking energy: -352.845
Base-Backbone interact. energy: -2.149
local terms energy: -358.528610
where:
bonds (distance) C4'-P energy: -69.351
bonds (distance) P-C4' energy: -61.962
flat angles C4'-P-C4' energy: -73.297
flat angles P-C4'-P energy: -46.485
tors. eta vs tors. theta energy: -107.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 426
Temperature: 1.100000
Total energy: -1254.183302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1254.183302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1254.183302 (E_RNA)
where:
Base-Base interactions energy: -897.043
where: short stacking energy: -338.070
Base-Backbone interact. energy: 4.103
local terms energy: -361.243277
where:
bonds (distance) C4'-P energy: -65.434
bonds (distance) P-C4' energy: -76.786
flat angles C4'-P-C4' energy: -78.890
flat angles P-C4'-P energy: -51.508
tors. eta vs tors. theta energy: -88.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 426
Temperature: 1.150000
Total energy: -1124.954070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1124.954070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1124.954070 (E_RNA)
where:
Base-Base interactions energy: -776.219
where: short stacking energy: -329.588
Base-Backbone interact. energy: 0.407
local terms energy: -349.141606
where:
bonds (distance) C4'-P energy: -62.280
bonds (distance) P-C4' energy: -63.681
flat angles C4'-P-C4' energy: -71.017
flat angles P-C4'-P energy: -59.040
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: 7, replica: 2
=====================================
Write number: 426
Temperature: 1.200000
Total energy: -937.672804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -937.672804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -937.672804 (E_RNA)
where:
Base-Base interactions energy: -653.222
where: short stacking energy: -268.778
Base-Backbone interact. energy: -3.226
local terms energy: -281.225045
where:
bonds (distance) C4'-P energy: -67.850
bonds (distance) P-C4' energy: -61.715
flat angles C4'-P-C4' energy: -68.159
flat angles P-C4'-P energy: -32.139
tors. eta vs tors. theta energy: -51.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 426
Temperature: 1.250000
Total energy: -892.466054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -892.466054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -892.466054 (E_RNA)
where:
Base-Base interactions energy: -600.107
where: short stacking energy: -256.966
Base-Backbone interact. energy: 5.786
local terms energy: -298.144217
where:
bonds (distance) C4'-P energy: -59.118
bonds (distance) P-C4' energy: -76.302
flat angles C4'-P-C4' energy: -59.951
flat angles P-C4'-P energy: -44.417
tors. eta vs tors. theta energy: -58.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 426
Temperature: 1.300000
Total energy: -781.768302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -781.768302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -781.768302 (E_RNA)
where:
Base-Base interactions energy: -505.387
where: short stacking energy: -219.328
Base-Backbone interact. energy: 3.271
local terms energy: -279.651817
where:
bonds (distance) C4'-P energy: -63.354
bonds (distance) P-C4' energy: -73.245
flat angles C4'-P-C4' energy: -61.973
flat angles P-C4'-P energy: -29.862
tors. eta vs tors. theta energy: -51.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 426
Temperature: 1.350000
Total energy: -398.220003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.220003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.220003 (E_RNA)
where:
Base-Base interactions energy: -186.346
where: short stacking energy: -116.568
Base-Backbone interact. energy: 3.683
local terms energy: -215.557095
where:
bonds (distance) C4'-P energy: -57.191
bonds (distance) P-C4' energy: -69.552
flat angles C4'-P-C4' energy: -48.390
flat angles P-C4'-P energy: -38.452
tors. eta vs tors. theta energy: -1.972
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: 1, replica: 5
=====================================
Write number: 427
Temperature: 0.900000
Total energy: -1420.328986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1420.328986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1420.328986 (E_RNA)
where:
Base-Base interactions energy: -993.762
where: short stacking energy: -413.484
Base-Backbone interact. energy: 2.875
local terms energy: -429.441890
where:
bonds (distance) C4'-P energy: -76.878
bonds (distance) P-C4' energy: -90.687
flat angles C4'-P-C4' energy: -79.447
flat angles P-C4'-P energy: -63.837
tors. eta vs tors. theta energy: -118.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 427
Temperature: 0.950000
Total energy: -1329.679399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1329.679399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1329.679399 (E_RNA)
where:
Base-Base interactions energy: -926.940
where: short stacking energy: -379.458
Base-Backbone interact. energy: -0.423
local terms energy: -402.316396
where:
bonds (distance) C4'-P energy: -78.181
bonds (distance) P-C4' energy: -78.152
flat angles C4'-P-C4' energy: -79.489
flat angles P-C4'-P energy: -51.686
tors. eta vs tors. theta energy: -114.808
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: 3, replica: 3
=====================================
Write number: 427
Temperature: 1.000000
Total energy: -1301.064833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1301.064833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1301.064833 (E_RNA)
where:
Base-Base interactions energy: -913.191
where: short stacking energy: -388.797
Base-Backbone interact. energy: 0.462
local terms energy: -388.335685
where:
bonds (distance) C4'-P energy: -71.166
bonds (distance) P-C4' energy: -72.099
flat angles C4'-P-C4' energy: -75.245
flat angles P-C4'-P energy: -57.335
tors. eta vs tors. theta energy: -112.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 427
Temperature: 1.050000
Total energy: -1285.516683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1285.516683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1285.516683 (E_RNA)
where:
Base-Base interactions energy: -912.029
where: short stacking energy: -368.002
Base-Backbone interact. energy: 1.099
local terms energy: -374.586795
where:
bonds (distance) C4'-P energy: -66.923
bonds (distance) P-C4' energy: -79.005
flat angles C4'-P-C4' energy: -79.273
flat angles P-C4'-P energy: -49.925
tors. eta vs tors. theta energy: -99.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 427
Temperature: 1.100000
Total energy: -1242.099163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1242.099163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1242.099163 (E_RNA)
where:
Base-Base interactions energy: -857.495
where: short stacking energy: -332.244
Base-Backbone interact. energy: -2.603
local terms energy: -382.001727
where:
bonds (distance) C4'-P energy: -72.647
bonds (distance) P-C4' energy: -70.311
flat angles C4'-P-C4' energy: -82.998
flat angles P-C4'-P energy: -65.059
tors. eta vs tors. theta energy: -90.987
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: 6, replica: 7
=====================================
Write number: 427
Temperature: 1.150000
Total energy: -1103.996270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1103.996270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1103.996270 (E_RNA)
where:
Base-Base interactions energy: -760.785
where: short stacking energy: -313.014
Base-Backbone interact. energy: -1.063
local terms energy: -342.148077
where:
bonds (distance) C4'-P energy: -71.519
bonds (distance) P-C4' energy: -68.092
flat angles C4'-P-C4' energy: -64.005
flat angles P-C4'-P energy: -56.302
tors. eta vs tors. theta energy: -82.230
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: 2
=====================================
Write number: 427
Temperature: 1.200000
Total energy: -977.227596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -977.227596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -977.227596 (E_RNA)
where:
Base-Base interactions energy: -649.696
where: short stacking energy: -270.382
Base-Backbone interact. energy: -1.306
local terms energy: -326.225048
where:
bonds (distance) C4'-P energy: -66.654
bonds (distance) P-C4' energy: -68.213
flat angles C4'-P-C4' energy: -70.966
flat angles P-C4'-P energy: -51.317
tors. eta vs tors. theta energy: -69.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 427
Temperature: 1.250000
Total energy: -860.153333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -860.153333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -860.153333 (E_RNA)
where:
Base-Base interactions energy: -572.932
where: short stacking energy: -256.337
Base-Backbone interact. energy: 2.904
local terms energy: -290.296412
where:
bonds (distance) C4'-P energy: -70.994
bonds (distance) P-C4' energy: -57.017
flat angles C4'-P-C4' energy: -67.657
flat angles P-C4'-P energy: -42.112
tors. eta vs tors. theta energy: -52.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.172 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 427
Temperature: 1.300000
Total energy: -740.066825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -740.066825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -740.066825 (E_RNA)
where:
Base-Base interactions energy: -465.143
where: short stacking energy: -211.652
Base-Backbone interact. energy: -1.643
local terms energy: -273.281307
where:
bonds (distance) C4'-P energy: -62.553
bonds (distance) P-C4' energy: -68.297
flat angles C4'-P-C4' energy: -63.869
flat angles P-C4'-P energy: -46.442
tors. eta vs tors. theta energy: -32.120
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: 427
Temperature: 1.350000
Total energy: -437.832825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.832825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.832825 (E_RNA)
where:
Base-Base interactions energy: -206.391
where: short stacking energy: -117.007
Base-Backbone interact. energy: -1.009
local terms energy: -230.432379
where:
bonds (distance) C4'-P energy: -59.141
bonds (distance) P-C4' energy: -66.429
flat angles C4'-P-C4' energy: -56.030
flat angles P-C4'-P energy: -35.894
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: 1, replica: 5
=====================================
Write number: 428
Temperature: 0.900000
Total energy: -1402.002009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1402.002009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1402.002009 (E_RNA)
where:
Base-Base interactions energy: -996.442
where: short stacking energy: -414.113
Base-Backbone interact. energy: -0.038
local terms energy: -405.521438
where:
bonds (distance) C4'-P energy: -69.691
bonds (distance) P-C4' energy: -74.682
flat angles C4'-P-C4' energy: -86.818
flat angles P-C4'-P energy: -58.140
tors. eta vs tors. theta energy: -116.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 428
Temperature: 0.950000
Total energy: -1319.060573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1319.060573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1319.060573 (E_RNA)
where:
Base-Base interactions energy: -914.206
where: short stacking energy: -378.031
Base-Backbone interact. energy: -1.276
local terms energy: -403.577810
where:
bonds (distance) C4'-P energy: -73.866
bonds (distance) P-C4' energy: -77.155
flat angles C4'-P-C4' energy: -84.308
flat angles P-C4'-P energy: -53.770
tors. eta vs tors. theta energy: -114.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 428
Temperature: 1.000000
Total energy: -1333.597044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1333.597044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1333.597044 (E_RNA)
where:
Base-Base interactions energy: -944.778
where: short stacking energy: -368.643
Base-Backbone interact. energy: -1.849
local terms energy: -386.970278
where:
bonds (distance) C4'-P energy: -70.663
bonds (distance) P-C4' energy: -70.367
flat angles C4'-P-C4' energy: -81.445
flat angles P-C4'-P energy: -58.090
tors. eta vs tors. theta energy: -106.405
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: 4, replica: 3
=====================================
Write number: 428
Temperature: 1.050000
Total energy: -1258.565849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1258.565849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1258.565849 (E_RNA)
where:
Base-Base interactions energy: -873.590
where: short stacking energy: -363.271
Base-Backbone interact. energy: -3.963
local terms energy: -381.012565
where:
bonds (distance) C4'-P energy: -64.414
bonds (distance) P-C4' energy: -75.443
flat angles C4'-P-C4' energy: -80.163
flat angles P-C4'-P energy: -58.170
tors. eta vs tors. theta energy: -102.822
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: 5, replica: 6
=====================================
Write number: 428
Temperature: 1.100000
Total energy: -1211.852059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1211.852059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1211.852059 (E_RNA)
where:
Base-Base interactions energy: -857.650
where: short stacking energy: -342.506
Base-Backbone interact. energy: 0.937
local terms energy: -355.138703
where:
bonds (distance) C4'-P energy: -73.022
bonds (distance) P-C4' energy: -67.300
flat angles C4'-P-C4' energy: -71.452
flat angles P-C4'-P energy: -56.671
tors. eta vs tors. theta energy: -86.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 428
Temperature: 1.150000
Total energy: -1106.811608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1106.811608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1106.811608 (E_RNA)
where:
Base-Base interactions energy: -767.620
where: short stacking energy: -331.275
Base-Backbone interact. energy: -0.377
local terms energy: -338.814493
where:
bonds (distance) C4'-P energy: -62.756
bonds (distance) P-C4' energy: -66.257
flat angles C4'-P-C4' energy: -76.613
flat angles P-C4'-P energy: -42.598
tors. eta vs tors. theta energy: -90.590
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: 2
=====================================
Write number: 428
Temperature: 1.200000
Total energy: -948.393166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -948.393166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -948.393166 (E_RNA)
where:
Base-Base interactions energy: -626.205
where: short stacking energy: -275.005
Base-Backbone interact. energy: -0.178
local terms energy: -322.010155
where:
bonds (distance) C4'-P energy: -54.567
bonds (distance) P-C4' energy: -74.226
flat angles C4'-P-C4' energy: -74.480
flat angles P-C4'-P energy: -48.873
tors. eta vs tors. theta energy: -69.864
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: 428
Temperature: 1.250000
Total energy: -850.507043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -850.507043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -850.507043 (E_RNA)
where:
Base-Base interactions energy: -539.242
where: short stacking energy: -225.825
Base-Backbone interact. energy: -1.579
local terms energy: -309.686404
where:
bonds (distance) C4'-P energy: -59.505
bonds (distance) P-C4' energy: -71.363
flat angles C4'-P-C4' energy: -70.186
flat angles P-C4'-P energy: -43.705
tors. eta vs tors. theta energy: -64.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 428
Temperature: 1.300000
Total energy: -748.334429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -748.334429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -748.334429 (E_RNA)
where:
Base-Base interactions energy: -473.587
where: short stacking energy: -214.928
Base-Backbone interact. energy: 1.887
local terms energy: -276.633984
where:
bonds (distance) C4'-P energy: -72.289
bonds (distance) P-C4' energy: -62.161
flat angles C4'-P-C4' energy: -61.211
flat angles P-C4'-P energy: -41.810
tors. eta vs tors. theta energy: -39.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 428
Temperature: 1.350000
Total energy: -395.123939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.123939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -395.123939 (E_RNA)
where:
Base-Base interactions energy: -205.799
where: short stacking energy: -125.368
Base-Backbone interact. energy: -1.350
local terms energy: -187.974344
where:
bonds (distance) C4'-P energy: -57.133
bonds (distance) P-C4' energy: -69.455
flat angles C4'-P-C4' energy: -46.726
flat angles P-C4'-P energy: -22.772
tors. eta vs tors. theta energy: 8.111
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: 5
=====================================
Write number: 429
Temperature: 0.900000
Total energy: -1391.806403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1391.806403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1391.806403 (E_RNA)
where:
Base-Base interactions energy: -986.711
where: short stacking energy: -406.731
Base-Backbone interact. energy: -0.140
local terms energy: -404.955527
where:
bonds (distance) C4'-P energy: -78.816
bonds (distance) P-C4' energy: -65.522
flat angles C4'-P-C4' energy: -94.095
flat angles P-C4'-P energy: -50.455
tors. eta vs tors. theta energy: -116.067
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: 2, replica: 8
=====================================
Write number: 429
Temperature: 0.950000
Total energy: -1327.647709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1327.647709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1327.647709 (E_RNA)
where:
Base-Base interactions energy: -911.374
where: short stacking energy: -403.422
Base-Backbone interact. energy: -1.969
local terms energy: -414.305517
where:
bonds (distance) C4'-P energy: -76.143
bonds (distance) P-C4' energy: -75.609
flat angles C4'-P-C4' energy: -83.066
flat angles P-C4'-P energy: -57.000
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: 3, replica: 9
=====================================
Write number: 429
Temperature: 1.000000
Total energy: -1308.146490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1308.146490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1308.146490 (E_RNA)
where:
Base-Base interactions energy: -930.403
where: short stacking energy: -379.284
Base-Backbone interact. energy: -2.897
local terms energy: -374.846778
where:
bonds (distance) C4'-P energy: -64.830
bonds (distance) P-C4' energy: -79.324
flat angles C4'-P-C4' energy: -81.619
flat angles P-C4'-P energy: -51.277
tors. eta vs tors. theta energy: -97.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 429
Temperature: 1.050000
Total energy: -1253.509935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1253.509935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1253.509935 (E_RNA)
where:
Base-Base interactions energy: -880.829
where: short stacking energy: -370.486
Base-Backbone interact. energy: -1.311
local terms energy: -371.370701
where:
bonds (distance) C4'-P energy: -73.057
bonds (distance) P-C4' energy: -69.301
flat angles C4'-P-C4' energy: -79.252
flat angles P-C4'-P energy: -49.895
tors. eta vs tors. theta energy: -99.866
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: 6
=====================================
Write number: 429
Temperature: 1.100000
Total energy: -1239.995843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1239.995843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1239.995843 (E_RNA)
where:
Base-Base interactions energy: -884.708
where: short stacking energy: -350.667
Base-Backbone interact. energy: 5.387
local terms energy: -362.325513
where:
bonds (distance) C4'-P energy: -65.937
bonds (distance) P-C4' energy: -69.975
flat angles C4'-P-C4' energy: -73.947
flat angles P-C4'-P energy: -47.764
tors. eta vs tors. theta energy: -104.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.650 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 429
Temperature: 1.150000
Total energy: -1140.744954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1140.744954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1140.744954 (E_RNA)
where:
Base-Base interactions energy: -795.074
where: short stacking energy: -335.151
Base-Backbone interact. energy: 2.449
local terms energy: -348.483118
where:
bonds (distance) C4'-P energy: -70.919
bonds (distance) P-C4' energy: -66.944
flat angles C4'-P-C4' energy: -77.100
flat angles P-C4'-P energy: -48.476
tors. eta vs tors. theta energy: -85.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.363 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 429
Temperature: 1.200000
Total energy: -910.253892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -910.253892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -910.253892 (E_RNA)
where:
Base-Base interactions energy: -581.341
where: short stacking energy: -273.839
Base-Backbone interact. energy: 3.636
local terms energy: -332.962871
where:
bonds (distance) C4'-P energy: -56.572
bonds (distance) P-C4' energy: -80.496
flat angles C4'-P-C4' energy: -78.638
flat angles P-C4'-P energy: -45.585
tors. eta vs tors. theta energy: -71.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.414 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 429
Temperature: 1.250000
Total energy: -865.854490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -865.854490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -865.854490 (E_RNA)
where:
Base-Base interactions energy: -576.744
where: short stacking energy: -256.861
Base-Backbone interact. energy: 2.552
local terms energy: -294.352765
where:
bonds (distance) C4'-P energy: -42.016
bonds (distance) P-C4' energy: -73.505
flat angles C4'-P-C4' energy: -60.684
flat angles P-C4'-P energy: -48.660
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: 2.690 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 429
Temperature: 1.300000
Total energy: -780.255993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -780.255993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -780.255993 (E_RNA)
where:
Base-Base interactions energy: -503.246
where: short stacking energy: -214.731
Base-Backbone interact. energy: -1.178
local terms energy: -275.831448
where:
bonds (distance) C4'-P energy: -61.184
bonds (distance) P-C4' energy: -67.815
flat angles C4'-P-C4' energy: -65.863
flat angles P-C4'-P energy: -36.732
tors. eta vs tors. theta energy: -44.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 429
Temperature: 1.350000
Total energy: -426.303266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.303266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.303266 (E_RNA)
where:
Base-Base interactions energy: -217.896
where: short stacking energy: -137.692
Base-Backbone interact. energy: 0.048
local terms energy: -208.454951
where:
bonds (distance) C4'-P energy: -53.739
bonds (distance) P-C4' energy: -54.356
flat angles C4'-P-C4' energy: -55.399
flat angles P-C4'-P energy: -28.854
tors. eta vs tors. theta energy: -16.107
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: 1, replica: 5
=====================================
Write number: 430
Temperature: 0.900000
Total energy: -1408.852360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1408.852360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1408.852360 (E_RNA)
where:
Base-Base interactions energy: -985.753
where: short stacking energy: -412.075
Base-Backbone interact. energy: -2.530
local terms energy: -420.569102
where:
bonds (distance) C4'-P energy: -89.546
bonds (distance) P-C4' energy: -79.421
flat angles C4'-P-C4' energy: -80.676
flat angles P-C4'-P energy: -53.767
tors. eta vs tors. theta energy: -117.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 430
Temperature: 0.950000
Total energy: -1320.746054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1320.746054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1320.746054 (E_RNA)
where:
Base-Base interactions energy: -903.507
where: short stacking energy: -393.759
Base-Backbone interact. energy: -0.622
local terms energy: -416.617732
where:
bonds (distance) C4'-P energy: -82.985
bonds (distance) P-C4' energy: -72.061
flat angles C4'-P-C4' energy: -89.872
flat angles P-C4'-P energy: -50.485
tors. eta vs tors. theta energy: -121.215
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: 9
=====================================
Write number: 430
Temperature: 1.000000
Total energy: -1310.790247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1310.790247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1310.790247 (E_RNA)
where:
Base-Base interactions energy: -928.758
where: short stacking energy: -369.116
Base-Backbone interact. energy: -0.377
local terms energy: -381.655151
where:
bonds (distance) C4'-P energy: -68.280
bonds (distance) P-C4' energy: -73.453
flat angles C4'-P-C4' energy: -84.140
flat angles P-C4'-P energy: -60.628
tors. eta vs tors. theta energy: -95.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 430
Temperature: 1.050000
Total energy: -1255.776972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1255.776972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1255.776972 (E_RNA)
where:
Base-Base interactions energy: -871.938
where: short stacking energy: -362.273
Base-Backbone interact. energy: -1.703
local terms energy: -382.135977
where:
bonds (distance) C4'-P energy: -65.761
bonds (distance) P-C4' energy: -78.380
flat angles C4'-P-C4' energy: -78.895
flat angles P-C4'-P energy: -53.744
tors. eta vs tors. theta energy: -105.357
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: 5, replica: 6
=====================================
Write number: 430
Temperature: 1.100000
Total energy: -1182.331730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1182.331730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1182.331730 (E_RNA)
where:
Base-Base interactions energy: -824.961
where: short stacking energy: -333.798
Base-Backbone interact. energy: -1.289
local terms energy: -356.081849
where:
bonds (distance) C4'-P energy: -70.213
bonds (distance) P-C4' energy: -75.003
flat angles C4'-P-C4' energy: -73.144
flat angles P-C4'-P energy: -43.914
tors. eta vs tors. theta energy: -93.809
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: 7
=====================================
Write number: 430
Temperature: 1.150000
Total energy: -1105.655045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1105.655045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1105.655045 (E_RNA)
where:
Base-Base interactions energy: -754.382
where: short stacking energy: -333.213
Base-Backbone interact. energy: -0.031
local terms energy: -351.241896
where:
bonds (distance) C4'-P energy: -68.488
bonds (distance) P-C4' energy: -64.656
flat angles C4'-P-C4' energy: -82.749
flat angles P-C4'-P energy: -45.796
tors. eta vs tors. theta energy: -89.553
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: 1
=====================================
Write number: 430
Temperature: 1.200000
Total energy: -888.843575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -888.843575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -888.843575 (E_RNA)
where:
Base-Base interactions energy: -573.564
where: short stacking energy: -239.338
Base-Backbone interact. energy: -1.468
local terms energy: -313.812543
where:
bonds (distance) C4'-P energy: -65.167
bonds (distance) P-C4' energy: -67.245
flat angles C4'-P-C4' energy: -67.999
flat angles P-C4'-P energy: -55.262
tors. eta vs tors. theta energy: -58.140
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: 430
Temperature: 1.250000
Total energy: -834.667779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -834.667779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -834.667779 (E_RNA)
where:
Base-Base interactions energy: -568.842
where: short stacking energy: -242.720
Base-Backbone interact. energy: -0.472
local terms energy: -265.353304
where:
bonds (distance) C4'-P energy: -55.185
bonds (distance) P-C4' energy: -60.438
flat angles C4'-P-C4' energy: -65.624
flat angles P-C4'-P energy: -39.773
tors. eta vs tors. theta energy: -44.333
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: 9, replica: 10
=====================================
Write number: 430
Temperature: 1.300000
Total energy: -740.407792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -740.407792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -740.407792 (E_RNA)
where:
Base-Base interactions energy: -477.596
where: short stacking energy: -208.990
Base-Backbone interact. energy: 2.001
local terms energy: -264.813552
where:
bonds (distance) C4'-P energy: -71.695
bonds (distance) P-C4' energy: -59.364
flat angles C4'-P-C4' energy: -60.958
flat angles P-C4'-P energy: -39.292
tors. eta vs tors. theta energy: -33.505
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: 4
=====================================
Write number: 430
Temperature: 1.350000
Total energy: -499.376239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.376239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.376239 (E_RNA)
where:
Base-Base interactions energy: -270.150
where: short stacking energy: -157.262
Base-Backbone interact. energy: -0.460
local terms energy: -228.766006
where:
bonds (distance) C4'-P energy: -52.640
bonds (distance) P-C4' energy: -60.846
flat angles C4'-P-C4' energy: -64.005
flat angles P-C4'-P energy: -39.938
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: 5
=====================================
Write number: 431
Temperature: 0.900000
Total energy: -1422.096221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1422.096221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1422.096221 (E_RNA)
where:
Base-Base interactions energy: -996.879
where: short stacking energy: -418.908
Base-Backbone interact. energy: -3.909
local terms energy: -421.307809
where:
bonds (distance) C4'-P energy: -80.766
bonds (distance) P-C4' energy: -81.613
flat angles C4'-P-C4' energy: -74.853
flat angles P-C4'-P energy: -57.300
tors. eta vs tors. theta energy: -126.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 431
Temperature: 0.950000
Total energy: -1326.119242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1326.119242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1326.119242 (E_RNA)
where:
Base-Base interactions energy: -917.903
where: short stacking energy: -409.951
Base-Backbone interact. energy: -0.996
local terms energy: -407.219719
where:
bonds (distance) C4'-P energy: -69.120
bonds (distance) P-C4' energy: -79.744
flat angles C4'-P-C4' energy: -74.173
flat angles P-C4'-P energy: -52.590
tors. eta vs tors. theta energy: -131.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 431
Temperature: 1.000000
Total energy: -1304.527662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1304.527662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1304.527662 (E_RNA)
where:
Base-Base interactions energy: -931.679
where: short stacking energy: -368.953
Base-Backbone interact. energy: -1.543
local terms energy: -371.305820
where:
bonds (distance) C4'-P energy: -65.785
bonds (distance) P-C4' energy: -79.731
flat angles C4'-P-C4' energy: -73.133
flat angles P-C4'-P energy: -56.357
tors. eta vs tors. theta energy: -96.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 431
Temperature: 1.050000
Total energy: -1267.414983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1267.414983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1267.414983 (E_RNA)
where:
Base-Base interactions energy: -888.483
where: short stacking energy: -356.060
Base-Backbone interact. energy: -1.518
local terms energy: -377.414118
where:
bonds (distance) C4'-P energy: -67.997
bonds (distance) P-C4' energy: -71.167
flat angles C4'-P-C4' energy: -77.763
flat angles P-C4'-P energy: -57.785
tors. eta vs tors. theta energy: -102.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 431
Temperature: 1.100000
Total energy: -1228.602528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1228.602528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1228.602528 (E_RNA)
where:
Base-Base interactions energy: -860.153
where: short stacking energy: -343.204
Base-Backbone interact. energy: -3.463
local terms energy: -364.986105
where:
bonds (distance) C4'-P energy: -70.018
bonds (distance) P-C4' energy: -70.311
flat angles C4'-P-C4' energy: -79.777
flat angles P-C4'-P energy: -53.817
tors. eta vs tors. theta energy: -91.064
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: 7
=====================================
Write number: 431
Temperature: 1.150000
Total energy: -1094.353533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1094.353533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1094.353533 (E_RNA)
where:
Base-Base interactions energy: -754.914
where: short stacking energy: -325.208
Base-Backbone interact. energy: -1.502
local terms energy: -337.943479
where:
bonds (distance) C4'-P energy: -68.271
bonds (distance) P-C4' energy: -62.076
flat angles C4'-P-C4' energy: -74.869
flat angles P-C4'-P energy: -57.821
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: 0.006 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 431
Temperature: 1.200000
Total energy: -897.747046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -897.747046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -897.747046 (E_RNA)
where:
Base-Base interactions energy: -591.880
where: short stacking energy: -274.485
Base-Backbone interact. energy: -0.449
local terms energy: -305.418752
where:
bonds (distance) C4'-P energy: -65.865
bonds (distance) P-C4' energy: -66.714
flat angles C4'-P-C4' energy: -63.248
flat angles P-C4'-P energy: -42.741
tors. eta vs tors. theta energy: -66.851
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: 8, replica: 2
=====================================
Write number: 431
Temperature: 1.250000
Total energy: -855.146046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -855.146046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -855.146046 (E_RNA)
where:
Base-Base interactions energy: -557.198
where: short stacking energy: -253.934
Base-Backbone interact. energy: 4.280
local terms energy: -302.227840
where:
bonds (distance) C4'-P energy: -61.384
bonds (distance) P-C4' energy: -62.726
flat angles C4'-P-C4' energy: -63.616
flat angles P-C4'-P energy: -46.812
tors. eta vs tors. theta energy: -67.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 431
Temperature: 1.300000
Total energy: -752.060735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -752.060735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -752.060735 (E_RNA)
where:
Base-Base interactions energy: -486.371
where: short stacking energy: -227.392
Base-Backbone interact. energy: 5.518
local terms energy: -271.208047
where:
bonds (distance) C4'-P energy: -53.285
bonds (distance) P-C4' energy: -62.074
flat angles C4'-P-C4' energy: -70.923
flat angles P-C4'-P energy: -45.115
tors. eta vs tors. theta energy: -39.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 431
Temperature: 1.350000
Total energy: -469.712550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.712550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.712550 (E_RNA)
where:
Base-Base interactions energy: -236.137
where: short stacking energy: -113.455
Base-Backbone interact. energy: 1.804
local terms energy: -235.379582
where:
bonds (distance) C4'-P energy: -62.237
bonds (distance) P-C4' energy: -65.812
flat angles C4'-P-C4' energy: -66.991
flat angles P-C4'-P energy: -40.111
tors. eta vs tors. theta energy: -0.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 432
Temperature: 0.900000
Total energy: -1413.659920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1413.659920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1413.659920 (E_RNA)
where:
Base-Base interactions energy: -1001.332
where: short stacking energy: -404.091
Base-Backbone interact. energy: 2.112
local terms energy: -414.440634
where:
bonds (distance) C4'-P energy: -84.606
bonds (distance) P-C4' energy: -72.942
flat angles C4'-P-C4' energy: -80.829
flat angles P-C4'-P energy: -55.188
tors. eta vs tors. theta energy: -120.876
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: 8
=====================================
Write number: 432
Temperature: 0.950000
Total energy: -1328.501088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1328.501088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1328.501088 (E_RNA)
where:
Base-Base interactions energy: -935.679
where: short stacking energy: -404.526
Base-Backbone interact. energy: 2.180
local terms energy: -395.003036
where:
bonds (distance) C4'-P energy: -69.204
bonds (distance) P-C4' energy: -61.973
flat angles C4'-P-C4' energy: -79.200
flat angles P-C4'-P energy: -56.779
tors. eta vs tors. theta energy: -127.848
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: 9
=====================================
Write number: 432
Temperature: 1.000000
Total energy: -1326.540559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1326.540559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1326.540559 (E_RNA)
where:
Base-Base interactions energy: -926.514
where: short stacking energy: -382.828
Base-Backbone interact. energy: -1.375
local terms energy: -398.652352
where:
bonds (distance) C4'-P energy: -71.658
bonds (distance) P-C4' energy: -79.254
flat angles C4'-P-C4' energy: -82.190
flat angles P-C4'-P energy: -61.206
tors. eta vs tors. theta energy: -104.344
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: 3
=====================================
Write number: 432
Temperature: 1.050000
Total energy: -1265.592714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1265.592714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1265.592714 (E_RNA)
where:
Base-Base interactions energy: -894.505
where: short stacking energy: -383.228
Base-Backbone interact. energy: -3.060
local terms energy: -368.027261
where:
bonds (distance) C4'-P energy: -53.194
bonds (distance) P-C4' energy: -60.693
flat angles C4'-P-C4' energy: -84.504
flat angles P-C4'-P energy: -52.481
tors. eta vs tors. theta energy: -117.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 432
Temperature: 1.100000
Total energy: -1177.735661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1177.735661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1177.735661 (E_RNA)
where:
Base-Base interactions energy: -830.350
where: short stacking energy: -328.901
Base-Backbone interact. energy: -1.832
local terms energy: -345.553410
where:
bonds (distance) C4'-P energy: -54.652
bonds (distance) P-C4' energy: -63.880
flat angles C4'-P-C4' energy: -74.573
flat angles P-C4'-P energy: -61.807
tors. eta vs tors. theta energy: -90.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 432
Temperature: 1.150000
Total energy: -1122.784976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1122.784976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1122.784976 (E_RNA)
where:
Base-Base interactions energy: -759.786
where: short stacking energy: -312.466
Base-Backbone interact. energy: -0.012
local terms energy: -362.986698
where:
bonds (distance) C4'-P energy: -74.967
bonds (distance) P-C4' energy: -66.788
flat angles C4'-P-C4' energy: -71.572
flat angles P-C4'-P energy: -52.775
tors. eta vs tors. theta energy: -96.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 432
Temperature: 1.200000
Total energy: -837.009914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -837.009914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -837.009914 (E_RNA)
where:
Base-Base interactions energy: -542.654
where: short stacking energy: -237.214
Base-Backbone interact. energy: -0.625
local terms energy: -293.731046
where:
bonds (distance) C4'-P energy: -68.959
bonds (distance) P-C4' energy: -61.809
flat angles C4'-P-C4' energy: -75.160
flat angles P-C4'-P energy: -41.396
tors. eta vs tors. theta energy: -46.408
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: 1
=====================================
Write number: 432
Temperature: 1.250000
Total energy: -869.750365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -869.750365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -869.750365 (E_RNA)
where:
Base-Base interactions energy: -557.374
where: short stacking energy: -243.143
Base-Backbone interact. energy: -3.307
local terms energy: -309.069155
where:
bonds (distance) C4'-P energy: -72.758
bonds (distance) P-C4' energy: -60.731
flat angles C4'-P-C4' energy: -76.406
flat angles P-C4'-P energy: -52.659
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: 9, replica: 10
=====================================
Write number: 432
Temperature: 1.300000
Total energy: -754.187785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -754.187785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -754.187785 (E_RNA)
where:
Base-Base interactions energy: -482.593
where: short stacking energy: -223.306
Base-Backbone interact. energy: -1.428
local terms energy: -270.166377
where:
bonds (distance) C4'-P energy: -53.782
bonds (distance) P-C4' energy: -58.412
flat angles C4'-P-C4' energy: -69.881
flat angles P-C4'-P energy: -27.700
tors. eta vs tors. theta energy: -60.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 432
Temperature: 1.350000
Total energy: -490.762651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.762651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.762651 (E_RNA)
where:
Base-Base interactions energy: -250.110
where: short stacking energy: -130.954
Base-Backbone interact. energy: -1.528
local terms energy: -239.125288
where:
bonds (distance) C4'-P energy: -66.667
bonds (distance) P-C4' energy: -65.379
flat angles C4'-P-C4' energy: -57.695
flat angles P-C4'-P energy: -44.645
tors. eta vs tors. theta energy: -4.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 433
Temperature: 0.900000
Total energy: -1424.606658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1424.606658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1424.606658 (E_RNA)
where:
Base-Base interactions energy: -1005.803
where: short stacking energy: -415.651
Base-Backbone interact. energy: -3.387
local terms energy: -415.415976
where:
bonds (distance) C4'-P energy: -73.873
bonds (distance) P-C4' energy: -77.842
flat angles C4'-P-C4' energy: -87.295
flat angles P-C4'-P energy: -55.878
tors. eta vs tors. theta energy: -120.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 433
Temperature: 0.950000
Total energy: -1343.730425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1343.730425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1343.730425 (E_RNA)
where:
Base-Base interactions energy: -942.894
where: short stacking energy: -357.152
Base-Backbone interact. energy: -5.316
local terms energy: -395.519980
where:
bonds (distance) C4'-P energy: -72.022
bonds (distance) P-C4' energy: -86.821
flat angles C4'-P-C4' energy: -83.103
flat angles P-C4'-P energy: -63.360
tors. eta vs tors. theta energy: -90.214
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: 8
=====================================
Write number: 433
Temperature: 1.000000
Total energy: -1309.205273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1309.205273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1309.205273 (E_RNA)
where:
Base-Base interactions energy: -892.617
where: short stacking energy: -390.468
Base-Backbone interact. energy: -1.475
local terms energy: -415.112853
where:
bonds (distance) C4'-P energy: -75.160
bonds (distance) P-C4' energy: -74.239
flat angles C4'-P-C4' energy: -79.494
flat angles P-C4'-P energy: -63.682
tors. eta vs tors. theta energy: -122.538
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: 4, replica: 3
=====================================
Write number: 433
Temperature: 1.050000
Total energy: -1285.465272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1285.465272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1285.465272 (E_RNA)
where:
Base-Base interactions energy: -902.481
where: short stacking energy: -384.913
Base-Backbone interact. energy: -2.814
local terms energy: -380.170620
where:
bonds (distance) C4'-P energy: -62.877
bonds (distance) P-C4' energy: -72.594
flat angles C4'-P-C4' energy: -80.748
flat angles P-C4'-P energy: -49.620
tors. eta vs tors. theta energy: -114.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 433
Temperature: 1.100000
Total energy: -1166.978672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1166.978672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1166.978672 (E_RNA)
where:
Base-Base interactions energy: -802.556
where: short stacking energy: -317.308
Base-Backbone interact. energy: -2.822
local terms energy: -361.601181
where:
bonds (distance) C4'-P energy: -65.252
bonds (distance) P-C4' energy: -76.440
flat angles C4'-P-C4' energy: -83.174
flat angles P-C4'-P energy: -53.812
tors. eta vs tors. theta energy: -82.923
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: 7
=====================================
Write number: 433
Temperature: 1.150000
Total energy: -1142.408022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1142.408022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1142.408022 (E_RNA)
where:
Base-Base interactions energy: -787.009
where: short stacking energy: -345.156
Base-Backbone interact. energy: 2.692
local terms energy: -358.091792
where:
bonds (distance) C4'-P energy: -66.657
bonds (distance) P-C4' energy: -67.415
flat angles C4'-P-C4' energy: -76.940
flat angles P-C4'-P energy: -52.918
tors. eta vs tors. theta energy: -94.163
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: 2
=====================================
Write number: 433
Temperature: 1.200000
Total energy: -863.421144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -863.421144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -863.421144 (E_RNA)
where:
Base-Base interactions energy: -559.349
where: short stacking energy: -242.637
Base-Backbone interact. energy: 3.803
local terms energy: -307.875572
where:
bonds (distance) C4'-P energy: -66.700
bonds (distance) P-C4' energy: -73.824
flat angles C4'-P-C4' energy: -75.130
flat angles P-C4'-P energy: -38.986
tors. eta vs tors. theta energy: -53.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 433
Temperature: 1.250000
Total energy: -816.606628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -816.606628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -816.606628 (E_RNA)
where:
Base-Base interactions energy: -508.539
where: short stacking energy: -246.070
Base-Backbone interact. energy: 0.835
local terms energy: -308.902214
where:
bonds (distance) C4'-P energy: -68.275
bonds (distance) P-C4' energy: -71.437
flat angles C4'-P-C4' energy: -75.061
flat angles P-C4'-P energy: -51.752
tors. eta vs tors. theta energy: -42.377
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: 1
=====================================
Write number: 433
Temperature: 1.300000
Total energy: -841.190877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -841.190877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -841.190877 (E_RNA)
where:
Base-Base interactions energy: -553.765
where: short stacking energy: -248.729
Base-Backbone interact. energy: -1.374
local terms energy: -286.052368
where:
bonds (distance) C4'-P energy: -59.125
bonds (distance) P-C4' energy: -64.393
flat angles C4'-P-C4' energy: -61.855
flat angles P-C4'-P energy: -40.957
tors. eta vs tors. theta energy: -59.723
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: 4
=====================================
Write number: 433
Temperature: 1.350000
Total energy: -487.077034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.077034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.077034 (E_RNA)
where:
Base-Base interactions energy: -280.439
where: short stacking energy: -132.222
Base-Backbone interact. energy: -1.363
local terms energy: -205.274554
where:
bonds (distance) C4'-P energy: -54.196
bonds (distance) P-C4' energy: -65.852
flat angles C4'-P-C4' energy: -55.504
flat angles P-C4'-P energy: -31.825
tors. eta vs tors. theta energy: 2.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 434
Temperature: 0.900000
Total energy: -1422.007888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1422.007888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1422.007888 (E_RNA)
where:
Base-Base interactions energy: -1007.722
where: short stacking energy: -404.424
Base-Backbone interact. energy: -1.646
local terms energy: -412.639677
where:
bonds (distance) C4'-P energy: -77.692
bonds (distance) P-C4' energy: -73.359
flat angles C4'-P-C4' energy: -81.832
flat angles P-C4'-P energy: -58.673
tors. eta vs tors. theta energy: -121.084
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: 9
=====================================
Write number: 434
Temperature: 0.950000
Total energy: -1355.130087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1355.130087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1355.130087 (E_RNA)
where:
Base-Base interactions energy: -953.349
where: short stacking energy: -369.385
Base-Backbone interact. energy: -2.323
local terms energy: -399.457524
where:
bonds (distance) C4'-P energy: -66.854
bonds (distance) P-C4' energy: -77.417
flat angles C4'-P-C4' energy: -89.324
flat angles P-C4'-P energy: -61.867
tors. eta vs tors. theta energy: -103.995
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: 8
=====================================
Write number: 434
Temperature: 1.000000
Total energy: -1310.897750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1310.897750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1310.897750 (E_RNA)
where:
Base-Base interactions energy: -897.342
where: short stacking energy: -381.025
Base-Backbone interact. energy: -2.634
local terms energy: -410.921873
where:
bonds (distance) C4'-P energy: -73.406
bonds (distance) P-C4' energy: -75.280
flat angles C4'-P-C4' energy: -88.079
flat angles P-C4'-P energy: -58.611
tors. eta vs tors. theta energy: -115.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 434
Temperature: 1.050000
Total energy: -1257.820419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1257.820419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1257.820419 (E_RNA)
where:
Base-Base interactions energy: -866.395
where: short stacking energy: -370.304
Base-Backbone interact. energy: -2.429
local terms energy: -388.996641
where:
bonds (distance) C4'-P energy: -71.646
bonds (distance) P-C4' energy: -66.637
flat angles C4'-P-C4' energy: -80.055
flat angles P-C4'-P energy: -60.897
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: 5, replica: 6
=====================================
Write number: 434
Temperature: 1.100000
Total energy: -1204.011480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1204.011480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1204.011480 (E_RNA)
where:
Base-Base interactions energy: -833.436
where: short stacking energy: -335.243
Base-Backbone interact. energy: -3.587
local terms energy: -366.989272
where:
bonds (distance) C4'-P energy: -75.061
bonds (distance) P-C4' energy: -74.474
flat angles C4'-P-C4' energy: -73.498
flat angles P-C4'-P energy: -52.740
tors. eta vs tors. theta energy: -91.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 434
Temperature: 1.150000
Total energy: -1137.252183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1137.252183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1137.252183 (E_RNA)
where:
Base-Base interactions energy: -781.656
where: short stacking energy: -317.707
Base-Backbone interact. energy: 0.595
local terms energy: -356.191533
where:
bonds (distance) C4'-P energy: -73.827
bonds (distance) P-C4' energy: -71.516
flat angles C4'-P-C4' energy: -72.836
flat angles P-C4'-P energy: -48.107
tors. eta vs tors. theta energy: -89.905
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: 434
Temperature: 1.200000
Total energy: -902.649915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -902.649915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -902.649915 (E_RNA)
where:
Base-Base interactions energy: -586.220
where: short stacking energy: -251.060
Base-Backbone interact. energy: -0.575
local terms energy: -316.611522
where:
bonds (distance) C4'-P energy: -65.613
bonds (distance) P-C4' energy: -80.510
flat angles C4'-P-C4' energy: -70.995
flat angles P-C4'-P energy: -41.900
tors. eta vs tors. theta energy: -57.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.757 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 434
Temperature: 1.250000
Total energy: -788.601020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -788.601020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -788.601020 (E_RNA)
where:
Base-Base interactions energy: -517.812
where: short stacking energy: -258.038
Base-Backbone interact. energy: -1.220
local terms energy: -269.568376
where:
bonds (distance) C4'-P energy: -67.972
bonds (distance) P-C4' energy: -64.513
flat angles C4'-P-C4' energy: -52.125
flat angles P-C4'-P energy: -31.281
tors. eta vs tors. theta energy: -53.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 434
Temperature: 1.300000
Total energy: -846.001493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -846.001493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -846.001493 (E_RNA)
where:
Base-Base interactions energy: -563.484
where: short stacking energy: -249.129
Base-Backbone interact. energy: 1.976
local terms energy: -284.493850
where:
bonds (distance) C4'-P energy: -54.271
bonds (distance) P-C4' energy: -69.207
flat angles C4'-P-C4' energy: -61.382
flat angles P-C4'-P energy: -40.447
tors. eta vs tors. theta energy: -59.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 434
Temperature: 1.350000
Total energy: -477.476796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.476796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.476796 (E_RNA)
where:
Base-Base interactions energy: -265.397
where: short stacking energy: -142.249
Base-Backbone interact. energy: -1.556
local terms energy: -210.523977
where:
bonds (distance) C4'-P energy: -66.962
bonds (distance) P-C4' energy: -59.839
flat angles C4'-P-C4' energy: -53.000
flat angles P-C4'-P energy: -19.827
tors. eta vs tors. theta energy: -10.896
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: 1, replica: 5
=====================================
Write number: 435
Temperature: 0.900000
Total energy: -1424.561900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1424.561900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1424.561900 (E_RNA)
where:
Base-Base interactions energy: -992.897
where: short stacking energy: -419.147
Base-Backbone interact. energy: 2.570
local terms energy: -434.234902
where:
bonds (distance) C4'-P energy: -78.114
bonds (distance) P-C4' energy: -83.671
flat angles C4'-P-C4' energy: -86.703
flat angles P-C4'-P energy: -65.849
tors. eta vs tors. theta energy: -119.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 435
Temperature: 0.950000
Total energy: -1356.936641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1356.936641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1356.936641 (E_RNA)
where:
Base-Base interactions energy: -969.730
where: short stacking energy: -373.940
Base-Backbone interact. energy: -3.375
local terms energy: -383.831570
where:
bonds (distance) C4'-P energy: -71.366
bonds (distance) P-C4' energy: -65.403
flat angles C4'-P-C4' energy: -90.994
flat angles P-C4'-P energy: -54.202
tors. eta vs tors. theta energy: -101.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 435
Temperature: 1.000000
Total energy: -1297.534545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1297.534545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1297.534545 (E_RNA)
where:
Base-Base interactions energy: -914.133
where: short stacking energy: -380.040
Base-Backbone interact. energy: 0.086
local terms energy: -383.487516
where:
bonds (distance) C4'-P energy: -71.133
bonds (distance) P-C4' energy: -67.477
flat angles C4'-P-C4' energy: -82.290
flat angles P-C4'-P energy: -49.031
tors. eta vs tors. theta energy: -113.557
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: 4, replica: 3
=====================================
Write number: 435
Temperature: 1.050000
Total energy: -1289.336482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1289.336482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1289.336482 (E_RNA)
where:
Base-Base interactions energy: -886.202
where: short stacking energy: -399.195
Base-Backbone interact. energy: -0.239
local terms energy: -402.895431
where:
bonds (distance) C4'-P energy: -67.972
bonds (distance) P-C4' energy: -68.581
flat angles C4'-P-C4' energy: -91.663
flat angles P-C4'-P energy: -52.545
tors. eta vs tors. theta energy: -122.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 435
Temperature: 1.100000
Total energy: -1175.052889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1175.052889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1175.052889 (E_RNA)
where:
Base-Base interactions energy: -815.215
where: short stacking energy: -331.643
Base-Backbone interact. energy: -1.536
local terms energy: -358.301949
where:
bonds (distance) C4'-P energy: -70.823
bonds (distance) P-C4' energy: -62.919
flat angles C4'-P-C4' energy: -81.727
flat angles P-C4'-P energy: -51.379
tors. eta vs tors. theta energy: -91.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 435
Temperature: 1.150000
Total energy: -1112.209957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1112.209957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1112.209957 (E_RNA)
where:
Base-Base interactions energy: -765.206
where: short stacking energy: -329.908
Base-Backbone interact. energy: -1.347
local terms energy: -345.657054
where:
bonds (distance) C4'-P energy: -61.774
bonds (distance) P-C4' energy: -80.199
flat angles C4'-P-C4' energy: -75.668
flat angles P-C4'-P energy: -40.423
tors. eta vs tors. theta energy: -87.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 435
Temperature: 1.200000
Total energy: -897.855941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -897.855941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -897.855941 (E_RNA)
where:
Base-Base interactions energy: -593.076
where: short stacking energy: -269.714
Base-Backbone interact. energy: 2.705
local terms energy: -307.485089
where:
bonds (distance) C4'-P energy: -61.520
bonds (distance) P-C4' energy: -63.195
flat angles C4'-P-C4' energy: -72.412
flat angles P-C4'-P energy: -49.042
tors. eta vs tors. theta energy: -61.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 435
Temperature: 1.250000
Total energy: -751.336950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -751.336950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -751.336950 (E_RNA)
where:
Base-Base interactions energy: -473.160
where: short stacking energy: -209.475
Base-Backbone interact. energy: 0.576
local terms energy: -278.752166
where:
bonds (distance) C4'-P energy: -62.826
bonds (distance) P-C4' energy: -69.631
flat angles C4'-P-C4' energy: -60.703
flat angles P-C4'-P energy: -44.901
tors. eta vs tors. theta energy: -40.691
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: 1
=====================================
Write number: 435
Temperature: 1.300000
Total energy: -771.247175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -771.247175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -771.247175 (E_RNA)
where:
Base-Base interactions energy: -520.114
where: short stacking energy: -232.759
Base-Backbone interact. energy: 2.348
local terms energy: -253.480417
where:
bonds (distance) C4'-P energy: -46.561
bonds (distance) P-C4' energy: -60.366
flat angles C4'-P-C4' energy: -62.834
flat angles P-C4'-P energy: -38.545
tors. eta vs tors. theta energy: -45.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 435
Temperature: 1.350000
Total energy: -508.125396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.125396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.125396 (E_RNA)
where:
Base-Base interactions energy: -289.469
where: short stacking energy: -155.134
Base-Backbone interact. energy: 2.113
local terms energy: -220.769516
where:
bonds (distance) C4'-P energy: -48.491
bonds (distance) P-C4' energy: -62.990
flat angles C4'-P-C4' energy: -57.527
flat angles P-C4'-P energy: -32.045
tors. eta vs tors. theta energy: -19.717
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: 9
=====================================
Write number: 436
Temperature: 0.900000
Total energy: -1375.239588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1375.239588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1375.239588 (E_RNA)
where:
Base-Base interactions energy: -966.211
where: short stacking energy: -385.672
Base-Backbone interact. energy: -1.823
local terms energy: -407.205947
where:
bonds (distance) C4'-P energy: -81.803
bonds (distance) P-C4' energy: -84.173
flat angles C4'-P-C4' energy: -83.360
flat angles P-C4'-P energy: -55.503
tors. eta vs tors. theta energy: -102.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 436
Temperature: 0.950000
Total energy: -1434.485968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1434.485968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1434.485968 (E_RNA)
where:
Base-Base interactions energy: -1016.846
where: short stacking energy: -416.015
Base-Backbone interact. energy: -0.673
local terms energy: -416.967418
where:
bonds (distance) C4'-P energy: -65.559
bonds (distance) P-C4' energy: -78.045
flat angles C4'-P-C4' energy: -84.348
flat angles P-C4'-P energy: -65.272
tors. eta vs tors. theta energy: -123.744
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: 3, replica: 3
=====================================
Write number: 436
Temperature: 1.000000
Total energy: -1318.625646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1318.625646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1318.625646 (E_RNA)
where:
Base-Base interactions energy: -879.655
where: short stacking energy: -396.560
Base-Backbone interact. energy: -0.351
local terms energy: -438.619516
where:
bonds (distance) C4'-P energy: -75.928
bonds (distance) P-C4' energy: -86.084
flat angles C4'-P-C4' energy: -93.422
flat angles P-C4'-P energy: -64.957
tors. eta vs tors. theta energy: -118.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 436
Temperature: 1.050000
Total energy: -1242.232510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1242.232510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1242.232510 (E_RNA)
where:
Base-Base interactions energy: -843.187
where: short stacking energy: -361.725
Base-Backbone interact. energy: -0.831
local terms energy: -398.214198
where:
bonds (distance) C4'-P energy: -72.976
bonds (distance) P-C4' energy: -71.751
flat angles C4'-P-C4' energy: -82.400
flat angles P-C4'-P energy: -54.943
tors. eta vs tors. theta energy: -116.143
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: 6
=====================================
Write number: 436
Temperature: 1.100000
Total energy: -1201.147407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1201.147407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1201.147407 (E_RNA)
where:
Base-Base interactions energy: -848.123
where: short stacking energy: -339.780
Base-Backbone interact. energy: -2.154
local terms energy: -350.870454
where:
bonds (distance) C4'-P energy: -61.925
bonds (distance) P-C4' energy: -74.325
flat angles C4'-P-C4' energy: -88.224
flat angles P-C4'-P energy: -39.674
tors. eta vs tors. theta energy: -86.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 436
Temperature: 1.150000
Total energy: -1122.757971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1122.757971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1122.757971 (E_RNA)
where:
Base-Base interactions energy: -739.383
where: short stacking energy: -316.753
Base-Backbone interact. energy: -1.449
local terms energy: -381.926025
where:
bonds (distance) C4'-P energy: -78.623
bonds (distance) P-C4' energy: -78.907
flat angles C4'-P-C4' energy: -78.408
flat angles P-C4'-P energy: -57.065
tors. eta vs tors. theta energy: -88.923
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: 2
=====================================
Write number: 436
Temperature: 1.200000
Total energy: -884.186847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -884.186847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -884.186847 (E_RNA)
where:
Base-Base interactions energy: -555.967
where: short stacking energy: -253.463
Base-Backbone interact. energy: -0.791
local terms energy: -327.428402
where:
bonds (distance) C4'-P energy: -66.173
bonds (distance) P-C4' energy: -80.942
flat angles C4'-P-C4' energy: -72.667
flat angles P-C4'-P energy: -35.822
tors. eta vs tors. theta energy: -71.824
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: 10
=====================================
Write number: 436
Temperature: 1.250000
Total energy: -755.921357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -755.921357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -755.921357 (E_RNA)
where:
Base-Base interactions energy: -462.979
where: short stacking energy: -223.803
Base-Backbone interact. energy: 0.789
local terms energy: -293.731719
where:
bonds (distance) C4'-P energy: -67.043
bonds (distance) P-C4' energy: -69.951
flat angles C4'-P-C4' energy: -69.037
flat angles P-C4'-P energy: -39.943
tors. eta vs tors. theta energy: -47.758
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: 1
=====================================
Write number: 436
Temperature: 1.300000
Total energy: -757.061270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -757.061270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -757.061270 (E_RNA)
where:
Base-Base interactions energy: -490.573
where: short stacking energy: -205.231
Base-Backbone interact. energy: -1.099
local terms energy: -265.388615
where:
bonds (distance) C4'-P energy: -50.575
bonds (distance) P-C4' energy: -73.597
flat angles C4'-P-C4' energy: -60.520
flat angles P-C4'-P energy: -35.636
tors. eta vs tors. theta energy: -45.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 436
Temperature: 1.350000
Total energy: -502.294544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.294544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.294544 (E_RNA)
where:
Base-Base interactions energy: -253.620
where: short stacking energy: -154.666
Base-Backbone interact. energy: 1.597
local terms energy: -250.270876
where:
bonds (distance) C4'-P energy: -72.114
bonds (distance) P-C4' energy: -68.849
flat angles C4'-P-C4' energy: -44.763
flat angles P-C4'-P energy: -46.931
tors. eta vs tors. theta energy: -17.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 437
Temperature: 0.900000
Total energy: -1377.580465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1377.580465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1377.580465 (E_RNA)
where:
Base-Base interactions energy: -980.164
where: short stacking energy: -389.182
Base-Backbone interact. energy: -1.053
local terms energy: -396.363054
where:
bonds (distance) C4'-P energy: -71.910
bonds (distance) P-C4' energy: -81.103
flat angles C4'-P-C4' energy: -81.188
flat angles P-C4'-P energy: -55.758
tors. eta vs tors. theta energy: -106.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 437
Temperature: 0.950000
Total energy: -1388.917110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1388.917110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1388.917110 (E_RNA)
where:
Base-Base interactions energy: -983.773
where: short stacking energy: -405.303
Base-Backbone interact. energy: -1.192
local terms energy: -403.952239
where:
bonds (distance) C4'-P energy: -75.680
bonds (distance) P-C4' energy: -72.877
flat angles C4'-P-C4' energy: -82.863
flat angles P-C4'-P energy: -57.858
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: 3
=====================================
Write number: 437
Temperature: 1.000000
Total energy: -1294.562023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1294.562023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1294.562023 (E_RNA)
where:
Base-Base interactions energy: -884.282
where: short stacking energy: -389.729
Base-Backbone interact. energy: -1.790
local terms energy: -408.489958
where:
bonds (distance) C4'-P energy: -79.406
bonds (distance) P-C4' energy: -68.866
flat angles C4'-P-C4' energy: -83.871
flat angles P-C4'-P energy: -66.315
tors. eta vs tors. theta energy: -110.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 437
Temperature: 1.050000
Total energy: -1206.817661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1206.817661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1206.817661 (E_RNA)
where:
Base-Base interactions energy: -816.687
where: short stacking energy: -359.505
Base-Backbone interact. energy: -2.140
local terms energy: -387.991179
where:
bonds (distance) C4'-P energy: -70.115
bonds (distance) P-C4' energy: -74.854
flat angles C4'-P-C4' energy: -78.843
flat angles P-C4'-P energy: -54.561
tors. eta vs tors. theta energy: -109.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 437
Temperature: 1.100000
Total energy: -1156.210871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1156.210871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1156.210871 (E_RNA)
where:
Base-Base interactions energy: -822.642
where: short stacking energy: -323.142
Base-Backbone interact. energy: 0.655
local terms energy: -334.223940
where:
bonds (distance) C4'-P energy: -60.778
bonds (distance) P-C4' energy: -67.813
flat angles C4'-P-C4' energy: -80.677
flat angles P-C4'-P energy: -44.315
tors. eta vs tors. theta energy: -80.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 437
Temperature: 1.150000
Total energy: -1112.622666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1112.622666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1112.622666 (E_RNA)
where:
Base-Base interactions energy: -758.025
where: short stacking energy: -317.758
Base-Backbone interact. energy: 1.613
local terms energy: -356.211433
where:
bonds (distance) C4'-P energy: -72.861
bonds (distance) P-C4' energy: -69.802
flat angles C4'-P-C4' energy: -74.531
flat angles P-C4'-P energy: -43.376
tors. eta vs tors. theta energy: -95.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 437
Temperature: 1.200000
Total energy: -908.569776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -908.569776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -908.569776 (E_RNA)
where:
Base-Base interactions energy: -603.387
where: short stacking energy: -257.143
Base-Backbone interact. energy: 1.789
local terms energy: -306.971312
where:
bonds (distance) C4'-P energy: -71.229
bonds (distance) P-C4' energy: -68.948
flat angles C4'-P-C4' energy: -67.957
flat angles P-C4'-P energy: -40.829
tors. eta vs tors. theta energy: -58.008
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: 10
=====================================
Write number: 437
Temperature: 1.250000
Total energy: -794.841830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -794.841830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -794.841830 (E_RNA)
where:
Base-Base interactions energy: -509.689
where: short stacking energy: -226.895
Base-Backbone interact. energy: -0.877
local terms energy: -284.276329
where:
bonds (distance) C4'-P energy: -56.597
bonds (distance) P-C4' energy: -73.327
flat angles C4'-P-C4' energy: -66.417
flat angles P-C4'-P energy: -38.795
tors. eta vs tors. theta energy: -49.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 437
Temperature: 1.300000
Total energy: -792.315164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -792.315164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -792.315164 (E_RNA)
where:
Base-Base interactions energy: -545.002
where: short stacking energy: -237.287
Base-Backbone interact. energy: 4.556
local terms energy: -251.869292
where:
bonds (distance) C4'-P energy: -52.298
bonds (distance) P-C4' energy: -53.397
flat angles C4'-P-C4' energy: -56.480
flat angles P-C4'-P energy: -40.417
tors. eta vs tors. theta energy: -49.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 437
Temperature: 1.350000
Total energy: -481.803755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.803755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.803755 (E_RNA)
where:
Base-Base interactions energy: -267.921
where: short stacking energy: -109.907
Base-Backbone interact. energy: 1.407
local terms energy: -215.290012
where:
bonds (distance) C4'-P energy: -65.860
bonds (distance) P-C4' energy: -64.496
flat angles C4'-P-C4' energy: -42.544
flat angles P-C4'-P energy: -35.425
tors. eta vs tors. theta energy: -6.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 438
Temperature: 0.900000
Total energy: -1398.872241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1398.872241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1398.872241 (E_RNA)
where:
Base-Base interactions energy: -998.599
where: short stacking energy: -397.811
Base-Backbone interact. energy: -1.342
local terms energy: -398.931016
where:
bonds (distance) C4'-P energy: -72.393
bonds (distance) P-C4' energy: -73.294
flat angles C4'-P-C4' energy: -84.204
flat angles P-C4'-P energy: -57.932
tors. eta vs tors. theta energy: -111.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 438
Temperature: 0.950000
Total energy: -1393.086590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1393.086590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1393.086590 (E_RNA)
where:
Base-Base interactions energy: -973.290
where: short stacking energy: -410.170
Base-Backbone interact. energy: -1.087
local terms energy: -418.709702
where:
bonds (distance) C4'-P energy: -72.699
bonds (distance) P-C4' energy: -78.761
flat angles C4'-P-C4' energy: -89.601
flat angles P-C4'-P energy: -58.195
tors. eta vs tors. theta energy: -119.453
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: 3, replica: 8
=====================================
Write number: 438
Temperature: 1.000000
Total energy: -1283.374830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1283.374830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1283.374830 (E_RNA)
where:
Base-Base interactions energy: -879.314
where: short stacking energy: -382.528
Base-Backbone interact. energy: -1.571
local terms energy: -402.490539
where:
bonds (distance) C4'-P energy: -64.275
bonds (distance) P-C4' energy: -74.590
flat angles C4'-P-C4' energy: -91.948
flat angles P-C4'-P energy: -59.124
tors. eta vs tors. theta energy: -112.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 438
Temperature: 1.050000
Total energy: -1262.777410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1262.777410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1262.777410 (E_RNA)
where:
Base-Base interactions energy: -877.151
where: short stacking energy: -382.715
Base-Backbone interact. energy: -3.442
local terms energy: -382.184865
where:
bonds (distance) C4'-P energy: -67.440
bonds (distance) P-C4' energy: -68.465
flat angles C4'-P-C4' energy: -80.522
flat angles P-C4'-P energy: -57.678
tors. eta vs tors. theta energy: -108.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 438
Temperature: 1.100000
Total energy: -1181.035273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1181.035273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1181.035273 (E_RNA)
where:
Base-Base interactions energy: -836.246
where: short stacking energy: -317.434
Base-Backbone interact. energy: -0.738
local terms energy: -344.050731
where:
bonds (distance) C4'-P energy: -59.385
bonds (distance) P-C4' energy: -70.774
flat angles C4'-P-C4' energy: -73.921
flat angles P-C4'-P energy: -55.653
tors. eta vs tors. theta energy: -84.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 438
Temperature: 1.150000
Total energy: -1114.442977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1114.442977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1114.442977 (E_RNA)
where:
Base-Base interactions energy: -753.695
where: short stacking energy: -333.389
Base-Backbone interact. energy: -1.866
local terms energy: -358.882021
where:
bonds (distance) C4'-P energy: -67.630
bonds (distance) P-C4' energy: -72.662
flat angles C4'-P-C4' energy: -71.281
flat angles P-C4'-P energy: -53.268
tors. eta vs tors. theta energy: -94.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 438
Temperature: 1.200000
Total energy: -998.362971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -998.362971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -998.362971 (E_RNA)
where:
Base-Base interactions energy: -671.259
where: short stacking energy: -292.902
Base-Backbone interact. energy: -2.273
local terms energy: -324.831705
where:
bonds (distance) C4'-P energy: -57.834
bonds (distance) P-C4' energy: -70.193
flat angles C4'-P-C4' energy: -84.277
flat angles P-C4'-P energy: -37.814
tors. eta vs tors. theta energy: -74.714
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: 10
=====================================
Write number: 438
Temperature: 1.250000
Total energy: -792.478583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -792.478583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -792.478583 (E_RNA)
where:
Base-Base interactions energy: -521.686
where: short stacking energy: -225.287
Base-Backbone interact. energy: -1.126
local terms energy: -269.666713
where:
bonds (distance) C4'-P energy: -55.216
bonds (distance) P-C4' energy: -71.008
flat angles C4'-P-C4' energy: -64.382
flat angles P-C4'-P energy: -43.012
tors. eta vs tors. theta energy: -36.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 438
Temperature: 1.300000
Total energy: -783.229491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -783.229491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -783.229491 (E_RNA)
where:
Base-Base interactions energy: -508.230
where: short stacking energy: -230.774
Base-Backbone interact. energy: -2.552
local terms energy: -272.448084
where:
bonds (distance) C4'-P energy: -57.659
bonds (distance) P-C4' energy: -73.705
flat angles C4'-P-C4' energy: -70.260
flat angles P-C4'-P energy: -26.300
tors. eta vs tors. theta energy: -44.524
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: 4
=====================================
Write number: 438
Temperature: 1.350000
Total energy: -510.709758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.709758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.709758 (E_RNA)
where:
Base-Base interactions energy: -278.358
where: short stacking energy: -155.492
Base-Backbone interact. energy: -2.402
local terms energy: -229.950378
where:
bonds (distance) C4'-P energy: -61.535
bonds (distance) P-C4' energy: -76.718
flat angles C4'-P-C4' energy: -56.413
flat angles P-C4'-P energy: -26.946
tors. eta vs tors. theta energy: -8.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 439
Temperature: 0.900000
Total energy: -1390.071622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1390.071622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1390.071622 (E_RNA)
where:
Base-Base interactions energy: -974.763
where: short stacking energy: -391.130
Base-Backbone interact. energy: -1.460
local terms energy: -413.848629
where:
bonds (distance) C4'-P energy: -90.262
bonds (distance) P-C4' energy: -78.488
flat angles C4'-P-C4' energy: -80.704
flat angles P-C4'-P energy: -56.518
tors. eta vs tors. theta energy: -107.876
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 439
Temperature: 0.950000
Total energy: -1400.852010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1400.852010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1400.852010 (E_RNA)
where:
Base-Base interactions energy: -991.964
where: short stacking energy: -413.978
Base-Backbone interact. energy: -0.768
local terms energy: -408.119869
where:
bonds (distance) C4'-P energy: -81.241
bonds (distance) P-C4' energy: -78.772
flat angles C4'-P-C4' energy: -85.321
flat angles P-C4'-P energy: -46.679
tors. eta vs tors. theta energy: -116.107
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: 8
=====================================
Write number: 439
Temperature: 1.000000
Total energy: -1270.419704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1270.419704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1270.419704 (E_RNA)
where:
Base-Base interactions energy: -878.481
where: short stacking energy: -358.758
Base-Backbone interact. energy: 2.093
local terms energy: -394.032318
where:
bonds (distance) C4'-P energy: -63.353
bonds (distance) P-C4' energy: -76.275
flat angles C4'-P-C4' energy: -89.925
flat angles P-C4'-P energy: -52.813
tors. eta vs tors. theta energy: -111.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 439
Temperature: 1.050000
Total energy: -1243.378954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1243.378954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1243.378954 (E_RNA)
where:
Base-Base interactions energy: -879.053
where: short stacking energy: -360.630
Base-Backbone interact. energy: -1.872
local terms energy: -362.453646
where:
bonds (distance) C4'-P energy: -61.537
bonds (distance) P-C4' energy: -69.431
flat angles C4'-P-C4' energy: -72.783
flat angles P-C4'-P energy: -54.858
tors. eta vs tors. theta energy: -103.843
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: 5, replica: 6
=====================================
Write number: 439
Temperature: 1.100000
Total energy: -1187.149070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1187.149070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1187.149070 (E_RNA)
where:
Base-Base interactions energy: -836.123
where: short stacking energy: -329.901
Base-Backbone interact. energy: -2.275
local terms energy: -348.751529
where:
bonds (distance) C4'-P energy: -59.024
bonds (distance) P-C4' energy: -79.041
flat angles C4'-P-C4' energy: -81.986
flat angles P-C4'-P energy: -47.009
tors. eta vs tors. theta energy: -81.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 439
Temperature: 1.150000
Total energy: -1106.513672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1106.513672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1106.513672 (E_RNA)
where:
Base-Base interactions energy: -771.915
where: short stacking energy: -328.296
Base-Backbone interact. energy: -2.130
local terms energy: -332.468158
where:
bonds (distance) C4'-P energy: -62.748
bonds (distance) P-C4' energy: -60.283
flat angles C4'-P-C4' energy: -66.699
flat angles P-C4'-P energy: -51.602
tors. eta vs tors. theta energy: -91.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 439
Temperature: 1.200000
Total energy: -1013.503379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1013.503379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1013.503379 (E_RNA)
where:
Base-Base interactions energy: -669.557
where: short stacking energy: -285.761
Base-Backbone interact. energy: 0.013
local terms energy: -343.959559
where:
bonds (distance) C4'-P energy: -72.667
bonds (distance) P-C4' energy: -71.197
flat angles C4'-P-C4' energy: -61.427
flat angles P-C4'-P energy: -51.626
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: 8, replica: 1
=====================================
Write number: 439
Temperature: 1.250000
Total energy: -868.440868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -868.440868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -868.440868 (E_RNA)
where:
Base-Base interactions energy: -566.861
where: short stacking energy: -259.852
Base-Backbone interact. energy: -1.947
local terms energy: -299.764959
where:
bonds (distance) C4'-P energy: -66.200
bonds (distance) P-C4' energy: -66.971
flat angles C4'-P-C4' energy: -74.903
flat angles P-C4'-P energy: -39.973
tors. eta vs tors. theta energy: -51.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.131 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 439
Temperature: 1.300000
Total energy: -750.976978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -750.976978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -750.976978 (E_RNA)
where:
Base-Base interactions energy: -487.646
where: short stacking energy: -221.792
Base-Backbone interact. energy: 0.133
local terms energy: -263.463681
where:
bonds (distance) C4'-P energy: -54.694
bonds (distance) P-C4' energy: -59.921
flat angles C4'-P-C4' energy: -62.536
flat angles P-C4'-P energy: -38.951
tors. eta vs tors. theta energy: -47.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 439
Temperature: 1.350000
Total energy: -499.782648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.782648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.782648 (E_RNA)
where:
Base-Base interactions energy: -284.910
where: short stacking energy: -139.054
Base-Backbone interact. energy: -0.111
local terms energy: -214.762216
where:
bonds (distance) C4'-P energy: -64.714
bonds (distance) P-C4' energy: -63.274
flat angles C4'-P-C4' energy: -55.491
flat angles P-C4'-P energy: -25.065
tors. eta vs tors. theta energy: -6.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 440
Temperature: 0.900000
Total energy: -1397.727238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1397.727238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1397.727238 (E_RNA)
where:
Base-Base interactions energy: -992.364
where: short stacking energy: -405.676
Base-Backbone interact. energy: -0.061
local terms energy: -405.301481
where:
bonds (distance) C4'-P energy: -73.170
bonds (distance) P-C4' energy: -76.959
flat angles C4'-P-C4' energy: -83.754
flat angles P-C4'-P energy: -53.273
tors. eta vs tors. theta energy: -118.145
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: 440
Temperature: 0.950000
Total energy: -1380.976330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1380.976330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1380.976330 (E_RNA)
where:
Base-Base interactions energy: -970.983
where: short stacking energy: -397.663
Base-Backbone interact. energy: -2.025
local terms energy: -407.967651
where:
bonds (distance) C4'-P energy: -78.406
bonds (distance) P-C4' energy: -74.891
flat angles C4'-P-C4' energy: -82.581
flat angles P-C4'-P energy: -55.885
tors. eta vs tors. theta energy: -116.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 440
Temperature: 1.000000
Total energy: -1299.611652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1299.611652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1299.611652 (E_RNA)
where:
Base-Base interactions energy: -897.518
where: short stacking energy: -373.359
Base-Backbone interact. energy: -1.616
local terms energy: -400.478335
where:
bonds (distance) C4'-P energy: -70.390
bonds (distance) P-C4' energy: -75.749
flat angles C4'-P-C4' energy: -82.189
flat angles P-C4'-P energy: -50.931
tors. eta vs tors. theta energy: -121.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 440
Temperature: 1.050000
Total energy: -1227.901063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1227.901063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1227.901063 (E_RNA)
where:
Base-Base interactions energy: -837.723
where: short stacking energy: -364.019
Base-Backbone interact. energy: -0.273
local terms energy: -389.905207
where:
bonds (distance) C4'-P energy: -80.915
bonds (distance) P-C4' energy: -65.608
flat angles C4'-P-C4' energy: -88.548
flat angles P-C4'-P energy: -53.168
tors. eta vs tors. theta energy: -101.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 440
Temperature: 1.100000
Total energy: -1141.371122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1141.371122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1141.371122 (E_RNA)
where:
Base-Base interactions energy: -775.009
where: short stacking energy: -334.519
Base-Backbone interact. energy: -2.152
local terms energy: -364.209879
where:
bonds (distance) C4'-P energy: -70.654
bonds (distance) P-C4' energy: -72.283
flat angles C4'-P-C4' energy: -79.929
flat angles P-C4'-P energy: -51.911
tors. eta vs tors. theta energy: -89.433
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: 6
=====================================
Write number: 440
Temperature: 1.150000
Total energy: -1176.575246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1176.575246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1176.575246 (E_RNA)
where:
Base-Base interactions energy: -852.215
where: short stacking energy: -345.460
Base-Backbone interact. energy: 2.933
local terms energy: -327.293459
where:
bonds (distance) C4'-P energy: -60.944
bonds (distance) P-C4' energy: -69.332
flat angles C4'-P-C4' energy: -65.601
flat angles P-C4'-P energy: -45.236
tors. eta vs tors. theta energy: -86.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 440
Temperature: 1.200000
Total energy: -1027.507243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1027.507243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1027.507243 (E_RNA)
where:
Base-Base interactions energy: -682.746
where: short stacking energy: -290.879
Base-Backbone interact. energy: -1.035
local terms energy: -344.002571
where:
bonds (distance) C4'-P energy: -75.698
bonds (distance) P-C4' energy: -68.676
flat angles C4'-P-C4' energy: -73.302
flat angles P-C4'-P energy: -49.869
tors. eta vs tors. theta energy: -76.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.276 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 440
Temperature: 1.250000
Total energy: -893.284882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -893.284882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -893.284882 (E_RNA)
where:
Base-Base interactions energy: -590.078
where: short stacking energy: -265.923
Base-Backbone interact. energy: -1.486
local terms energy: -301.720315
where:
bonds (distance) C4'-P energy: -53.613
bonds (distance) P-C4' energy: -63.894
flat angles C4'-P-C4' energy: -72.650
flat angles P-C4'-P energy: -49.968
tors. eta vs tors. theta energy: -61.595
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: 10
=====================================
Write number: 440
Temperature: 1.300000
Total energy: -779.432243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -779.432243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -779.432243 (E_RNA)
where:
Base-Base interactions energy: -501.837
where: short stacking energy: -233.976
Base-Backbone interact. energy: 0.998
local terms energy: -278.593360
where:
bonds (distance) C4'-P energy: -59.461
bonds (distance) P-C4' energy: -58.502
flat angles C4'-P-C4' energy: -67.282
flat angles P-C4'-P energy: -37.430
tors. eta vs tors. theta energy: -55.918
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: 10, replica: 4
=====================================
Write number: 440
Temperature: 1.350000
Total energy: -456.409322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.409322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.409322 (E_RNA)
where:
Base-Base interactions energy: -233.445
where: short stacking energy: -104.803
Base-Backbone interact. energy: -1.172
local terms energy: -221.791848
where:
bonds (distance) C4'-P energy: -60.184
bonds (distance) P-C4' energy: -66.735
flat angles C4'-P-C4' energy: -66.438
flat angles P-C4'-P energy: -27.232
tors. eta vs tors. theta energy: -1.203
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: 9
=====================================
Write number: 441
Temperature: 0.900000
Total energy: -1391.650078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1391.650078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1391.650078 (E_RNA)
where:
Base-Base interactions energy: -979.685
where: short stacking energy: -404.146
Base-Backbone interact. energy: -1.583
local terms energy: -410.382801
where:
bonds (distance) C4'-P energy: -71.469
bonds (distance) P-C4' energy: -75.252
flat angles C4'-P-C4' energy: -86.585
flat angles P-C4'-P energy: -63.799
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: 2, replica: 5
=====================================
Write number: 441
Temperature: 0.950000
Total energy: -1398.576614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1398.576614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1398.576614 (E_RNA)
where:
Base-Base interactions energy: -981.985
where: short stacking energy: -401.850
Base-Backbone interact. energy: 0.389
local terms energy: -416.979945
where:
bonds (distance) C4'-P energy: -78.527
bonds (distance) P-C4' energy: -74.317
flat angles C4'-P-C4' energy: -87.506
flat angles P-C4'-P energy: -61.762
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: 8
=====================================
Write number: 441
Temperature: 1.000000
Total energy: -1319.832939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1319.832939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1319.832939 (E_RNA)
where:
Base-Base interactions energy: -910.859
where: short stacking energy: -373.810
Base-Backbone interact. energy: -1.189
local terms energy: -407.784814
where:
bonds (distance) C4'-P energy: -62.348
bonds (distance) P-C4' energy: -85.522
flat angles C4'-P-C4' energy: -82.467
flat angles P-C4'-P energy: -58.164
tors. eta vs tors. theta energy: -119.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 441
Temperature: 1.050000
Total energy: -1221.487063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1221.487063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1221.487063 (E_RNA)
where:
Base-Base interactions energy: -844.754
where: short stacking energy: -359.957
Base-Backbone interact. energy: 0.593
local terms energy: -377.326168
where:
bonds (distance) C4'-P energy: -71.568
bonds (distance) P-C4' energy: -66.350
flat angles C4'-P-C4' energy: -87.632
flat angles P-C4'-P energy: -56.211
tors. eta vs tors. theta energy: -95.565
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: 7
=====================================
Write number: 441
Temperature: 1.100000
Total energy: -1131.177184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1131.177184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1131.177184 (E_RNA)
where:
Base-Base interactions energy: -784.142
where: short stacking energy: -324.264
Base-Backbone interact. energy: -2.108
local terms energy: -344.926561
where:
bonds (distance) C4'-P energy: -66.043
bonds (distance) P-C4' energy: -65.150
flat angles C4'-P-C4' energy: -74.435
flat angles P-C4'-P energy: -52.432
tors. eta vs tors. theta energy: -86.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 441
Temperature: 1.150000
Total energy: -1119.304932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1119.304932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1119.304932 (E_RNA)
where:
Base-Base interactions energy: -796.723
where: short stacking energy: -304.391
Base-Backbone interact. energy: -1.695
local terms energy: -320.886723
where:
bonds (distance) C4'-P energy: -63.087
bonds (distance) P-C4' energy: -70.608
flat angles C4'-P-C4' energy: -65.894
flat angles P-C4'-P energy: -44.840
tors. eta vs tors. theta energy: -76.458
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: 2
=====================================
Write number: 441
Temperature: 1.200000
Total energy: -1015.126962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1015.126962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1015.126962 (E_RNA)
where:
Base-Base interactions energy: -681.453
where: short stacking energy: -283.813
Base-Backbone interact. energy: -2.550
local terms energy: -331.124106
where:
bonds (distance) C4'-P energy: -74.057
bonds (distance) P-C4' energy: -63.519
flat angles C4'-P-C4' energy: -67.283
flat angles P-C4'-P energy: -54.073
tors. eta vs tors. theta energy: -72.192
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: 1
=====================================
Write number: 441
Temperature: 1.250000
Total energy: -873.041363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -873.041363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -873.041363 (E_RNA)
where:
Base-Base interactions energy: -561.151
where: short stacking energy: -268.806
Base-Backbone interact. energy: -0.929
local terms energy: -311.365142
where:
bonds (distance) C4'-P energy: -58.744
bonds (distance) P-C4' energy: -66.770
flat angles C4'-P-C4' energy: -70.313
flat angles P-C4'-P energy: -48.288
tors. eta vs tors. theta energy: -67.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.404 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 441
Temperature: 1.300000
Total energy: -757.223172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -757.223172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -757.223172 (E_RNA)
where:
Base-Base interactions energy: -467.617
where: short stacking energy: -227.960
Base-Backbone interact. energy: -0.006
local terms energy: -290.418235
where:
bonds (distance) C4'-P energy: -60.219
bonds (distance) P-C4' energy: -73.881
flat angles C4'-P-C4' energy: -69.474
flat angles P-C4'-P energy: -44.298
tors. eta vs tors. theta energy: -42.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.817 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 441
Temperature: 1.350000
Total energy: -469.679916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.679916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.679916 (E_RNA)
where:
Base-Base interactions energy: -269.961
where: short stacking energy: -125.206
Base-Backbone interact. energy: 4.768
local terms energy: -204.487195
where:
bonds (distance) C4'-P energy: -63.166
bonds (distance) P-C4' energy: -65.674
flat angles C4'-P-C4' energy: -47.494
flat angles P-C4'-P energy: -23.182
tors. eta vs tors. theta energy: -4.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 442
Temperature: 0.900000
Total energy: -1388.028296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1388.028296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1388.028296 (E_RNA)
where:
Base-Base interactions energy: -971.220
where: short stacking energy: -388.290
Base-Backbone interact. energy: -0.999
local terms energy: -415.809419
where:
bonds (distance) C4'-P energy: -80.242
bonds (distance) P-C4' energy: -81.963
flat angles C4'-P-C4' energy: -82.337
flat angles P-C4'-P energy: -66.150
tors. eta vs tors. theta energy: -105.119
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: 2, replica: 5
=====================================
Write number: 442
Temperature: 0.950000
Total energy: -1364.943457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1364.943457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1364.943457 (E_RNA)
where:
Base-Base interactions energy: -958.325
where: short stacking energy: -390.990
Base-Backbone interact. energy: -3.699
local terms energy: -402.919261
where:
bonds (distance) C4'-P energy: -79.701
bonds (distance) P-C4' energy: -68.708
flat angles C4'-P-C4' energy: -80.408
flat angles P-C4'-P energy: -55.985
tors. eta vs tors. theta energy: -118.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 442
Temperature: 1.000000
Total energy: -1317.183087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1317.183087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1317.183087 (E_RNA)
where:
Base-Base interactions energy: -906.874
where: short stacking energy: -388.096
Base-Backbone interact. energy: -3.317
local terms energy: -406.992043
where:
bonds (distance) C4'-P energy: -76.977
bonds (distance) P-C4' energy: -72.426
flat angles C4'-P-C4' energy: -88.912
flat angles P-C4'-P energy: -49.408
tors. eta vs tors. theta energy: -119.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 442
Temperature: 1.050000
Total energy: -1229.817061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1229.817061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1229.817061 (E_RNA)
where:
Base-Base interactions energy: -856.997
where: short stacking energy: -355.771
Base-Backbone interact. energy: 0.604
local terms energy: -373.423548
where:
bonds (distance) C4'-P energy: -73.069
bonds (distance) P-C4' energy: -67.473
flat angles C4'-P-C4' energy: -82.141
flat angles P-C4'-P energy: -47.290
tors. eta vs tors. theta energy: -103.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 442
Temperature: 1.100000
Total energy: -1138.861832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1138.861832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1138.861832 (E_RNA)
where:
Base-Base interactions energy: -795.322
where: short stacking energy: -302.068
Base-Backbone interact. energy: -2.664
local terms energy: -340.876034
where:
bonds (distance) C4'-P energy: -70.475
bonds (distance) P-C4' energy: -79.178
flat angles C4'-P-C4' energy: -65.129
flat angles P-C4'-P energy: -41.625
tors. eta vs tors. theta energy: -84.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 442
Temperature: 1.150000
Total energy: -1109.517468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1109.517468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1109.517468 (E_RNA)
where:
Base-Base interactions energy: -744.343
where: short stacking energy: -326.190
Base-Backbone interact. energy: -0.919
local terms energy: -364.255416
where:
bonds (distance) C4'-P energy: -82.280
bonds (distance) P-C4' energy: -71.355
flat angles C4'-P-C4' energy: -77.181
flat angles P-C4'-P energy: -36.679
tors. eta vs tors. theta energy: -96.761
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: 442
Temperature: 1.200000
Total energy: -1009.912621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1009.912621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1009.912621 (E_RNA)
where:
Base-Base interactions energy: -682.214
where: short stacking energy: -292.704
Base-Backbone interact. energy: -0.994
local terms energy: -326.704967
where:
bonds (distance) C4'-P energy: -50.784
bonds (distance) P-C4' energy: -73.935
flat angles C4'-P-C4' energy: -73.864
flat angles P-C4'-P energy: -51.089
tors. eta vs tors. theta energy: -77.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 442
Temperature: 1.250000
Total energy: -909.081243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -909.081243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -909.081243 (E_RNA)
where:
Base-Base interactions energy: -598.387
where: short stacking energy: -253.836
Base-Backbone interact. energy: -0.743
local terms energy: -309.951404
where:
bonds (distance) C4'-P energy: -60.004
bonds (distance) P-C4' energy: -79.541
flat angles C4'-P-C4' energy: -69.555
flat angles P-C4'-P energy: -45.265
tors. eta vs tors. theta energy: -55.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 442
Temperature: 1.300000
Total energy: -726.197105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -726.197105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -726.197105 (E_RNA)
where:
Base-Base interactions energy: -479.964
where: short stacking energy: -220.983
Base-Backbone interact. energy: -4.175
local terms energy: -242.058255
where:
bonds (distance) C4'-P energy: -46.870
bonds (distance) P-C4' energy: -55.458
flat angles C4'-P-C4' energy: -73.370
flat angles P-C4'-P energy: -30.172
tors. eta vs tors. theta energy: -36.188
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: 4
=====================================
Write number: 442
Temperature: 1.350000
Total energy: -551.487947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.487947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.487947 (E_RNA)
where:
Base-Base interactions energy: -293.215
where: short stacking energy: -154.166
Base-Backbone interact. energy: 0.612
local terms energy: -258.884932
where:
bonds (distance) C4'-P energy: -61.240
bonds (distance) P-C4' energy: -73.609
flat angles C4'-P-C4' energy: -57.353
flat angles P-C4'-P energy: -33.782
tors. eta vs tors. theta energy: -32.902
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: 9
=====================================
Write number: 443
Temperature: 0.900000
Total energy: -1387.945818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1387.945818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1387.945818 (E_RNA)
where:
Base-Base interactions energy: -977.921
where: short stacking energy: -417.126
Base-Backbone interact. energy: -0.419
local terms energy: -409.605547
where:
bonds (distance) C4'-P energy: -77.271
bonds (distance) P-C4' energy: -77.441
flat angles C4'-P-C4' energy: -82.184
flat angles P-C4'-P energy: -60.232
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: 443
Temperature: 0.950000
Total energy: -1377.722438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1377.722438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1377.722438 (E_RNA)
where:
Base-Base interactions energy: -965.970
where: short stacking energy: -411.865
Base-Backbone interact. energy: -2.298
local terms energy: -409.454848
where:
bonds (distance) C4'-P energy: -83.319
bonds (distance) P-C4' energy: -73.956
flat angles C4'-P-C4' energy: -84.769
flat angles P-C4'-P energy: -54.558
tors. eta vs tors. theta energy: -112.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 443
Temperature: 1.000000
Total energy: -1288.853977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1288.853977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1288.853977 (E_RNA)
where:
Base-Base interactions energy: -877.429
where: short stacking energy: -371.418
Base-Backbone interact. energy: -1.071
local terms energy: -410.353769
where:
bonds (distance) C4'-P energy: -74.024
bonds (distance) P-C4' energy: -76.384
flat angles C4'-P-C4' energy: -85.109
flat angles P-C4'-P energy: -57.350
tors. eta vs tors. theta energy: -117.488
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: 4, replica: 3
=====================================
Write number: 443
Temperature: 1.050000
Total energy: -1240.135096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1240.135096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1240.135096 (E_RNA)
where:
Base-Base interactions energy: -846.757
where: short stacking energy: -377.257
Base-Backbone interact. energy: -2.084
local terms energy: -391.294188
where:
bonds (distance) C4'-P energy: -67.840
bonds (distance) P-C4' energy: -85.401
flat angles C4'-P-C4' energy: -80.552
flat angles P-C4'-P energy: -47.310
tors. eta vs tors. theta energy: -110.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 443
Temperature: 1.100000
Total energy: -1138.051681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1138.051681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1138.051681 (E_RNA)
where:
Base-Base interactions energy: -796.930
where: short stacking energy: -315.006
Base-Backbone interact. energy: 1.035
local terms energy: -342.157369
where:
bonds (distance) C4'-P energy: -64.884
bonds (distance) P-C4' energy: -67.062
flat angles C4'-P-C4' energy: -77.348
flat angles P-C4'-P energy: -56.560
tors. eta vs tors. theta energy: -76.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 443
Temperature: 1.150000
Total energy: -1087.415052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1087.415052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1087.415052 (E_RNA)
where:
Base-Base interactions energy: -719.899
where: short stacking energy: -301.671
Base-Backbone interact. energy: -0.544
local terms energy: -366.972823
where:
bonds (distance) C4'-P energy: -71.081
bonds (distance) P-C4' energy: -69.343
flat angles C4'-P-C4' energy: -76.456
flat angles P-C4'-P energy: -57.231
tors. eta vs tors. theta energy: -92.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 443
Temperature: 1.200000
Total energy: -1093.034506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1093.034506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1093.034506 (E_RNA)
where:
Base-Base interactions energy: -756.961
where: short stacking energy: -328.248
Base-Backbone interact. energy: 1.464
local terms energy: -337.537712
where:
bonds (distance) C4'-P energy: -57.989
bonds (distance) P-C4' energy: -64.195
flat angles C4'-P-C4' energy: -83.952
flat angles P-C4'-P energy: -42.192
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: 8, replica: 1
=====================================
Write number: 443
Temperature: 1.250000
Total energy: -957.692389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -957.692389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -957.692389 (E_RNA)
where:
Base-Base interactions energy: -654.655
where: short stacking energy: -283.049
Base-Backbone interact. energy: -1.323
local terms energy: -301.714459
where:
bonds (distance) C4'-P energy: -59.119
bonds (distance) P-C4' energy: -56.966
flat angles C4'-P-C4' energy: -75.770
flat angles P-C4'-P energy: -41.711
tors. eta vs tors. theta energy: -68.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 443
Temperature: 1.300000
Total energy: -743.074828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -743.074828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -743.074828 (E_RNA)
where:
Base-Base interactions energy: -478.630
where: short stacking energy: -213.614
Base-Backbone interact. energy: 3.426
local terms energy: -267.870356
where:
bonds (distance) C4'-P energy: -50.595
bonds (distance) P-C4' energy: -51.237
flat angles C4'-P-C4' energy: -67.455
flat angles P-C4'-P energy: -45.912
tors. eta vs tors. theta energy: -52.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 443
Temperature: 1.350000
Total energy: -499.230062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.230062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.230062 (E_RNA)
where:
Base-Base interactions energy: -269.657
where: short stacking energy: -133.480
Base-Backbone interact. energy: -0.952
local terms energy: -228.620933
where:
bonds (distance) C4'-P energy: -74.886
bonds (distance) P-C4' energy: -58.793
flat angles C4'-P-C4' energy: -56.848
flat angles P-C4'-P energy: -31.549
tors. eta vs tors. theta energy: -6.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 444
Temperature: 0.900000
Total energy: -1390.613081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1390.613081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1390.613081 (E_RNA)
where:
Base-Base interactions energy: -984.665
where: short stacking energy: -404.069
Base-Backbone interact. energy: -0.811
local terms energy: -405.136534
where:
bonds (distance) C4'-P energy: -79.211
bonds (distance) P-C4' energy: -75.514
flat angles C4'-P-C4' energy: -76.458
flat angles P-C4'-P energy: -65.768
tors. eta vs tors. theta energy: -108.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 444
Temperature: 0.950000
Total energy: -1354.042841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1354.042841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1354.042841 (E_RNA)
where:
Base-Base interactions energy: -952.835
where: short stacking energy: -389.289
Base-Backbone interact. energy: -1.673
local terms energy: -399.534908
where:
bonds (distance) C4'-P energy: -62.142
bonds (distance) P-C4' energy: -78.933
flat angles C4'-P-C4' energy: -83.357
flat angles P-C4'-P energy: -63.572
tors. eta vs tors. theta energy: -111.531
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: 8
=====================================
Write number: 444
Temperature: 1.000000
Total energy: -1289.195322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1289.195322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1289.195322 (E_RNA)
where:
Base-Base interactions energy: -889.578
where: short stacking energy: -387.362
Base-Backbone interact. energy: -0.152
local terms energy: -399.464993
where:
bonds (distance) C4'-P energy: -80.766
bonds (distance) P-C4' energy: -78.246
flat angles C4'-P-C4' energy: -77.612
flat angles P-C4'-P energy: -43.730
tors. eta vs tors. theta energy: -119.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 444
Temperature: 1.050000
Total energy: -1228.916588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1228.916588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1228.916588 (E_RNA)
where:
Base-Base interactions energy: -851.499
where: short stacking energy: -349.182
Base-Backbone interact. energy: 0.581
local terms energy: -377.998795
where:
bonds (distance) C4'-P energy: -72.151
bonds (distance) P-C4' energy: -81.101
flat angles C4'-P-C4' energy: -73.006
flat angles P-C4'-P energy: -53.373
tors. eta vs tors. theta energy: -98.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 444
Temperature: 1.100000
Total energy: -1171.144878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1171.144878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1171.144878 (E_RNA)
where:
Base-Base interactions energy: -809.425
where: short stacking energy: -322.214
Base-Backbone interact. energy: -1.551
local terms energy: -360.168466
where:
bonds (distance) C4'-P energy: -65.789
bonds (distance) P-C4' energy: -73.343
flat angles C4'-P-C4' energy: -77.702
flat angles P-C4'-P energy: -52.114
tors. eta vs tors. theta energy: -91.221
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: 2
=====================================
Write number: 444
Temperature: 1.150000
Total energy: -1093.301833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1093.301833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1093.301833 (E_RNA)
where:
Base-Base interactions energy: -750.220
where: short stacking energy: -328.468
Base-Backbone interact. energy: 0.840
local terms energy: -343.922499
where:
bonds (distance) C4'-P energy: -72.837
bonds (distance) P-C4' energy: -61.233
flat angles C4'-P-C4' energy: -75.778
flat angles P-C4'-P energy: -40.217
tors. eta vs tors. theta energy: -93.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 444
Temperature: 1.200000
Total energy: -1028.370125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1028.370125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1028.370125 (E_RNA)
where:
Base-Base interactions energy: -698.007
where: short stacking energy: -291.643
Base-Backbone interact. energy: 0.175
local terms energy: -330.537590
where:
bonds (distance) C4'-P energy: -63.061
bonds (distance) P-C4' energy: -64.245
flat angles C4'-P-C4' energy: -72.446
flat angles P-C4'-P energy: -48.486
tors. eta vs tors. theta energy: -82.299
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: 1
=====================================
Write number: 444
Temperature: 1.250000
Total energy: -964.583276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -964.583276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -964.583276 (E_RNA)
where:
Base-Base interactions energy: -660.805
where: short stacking energy: -285.578
Base-Backbone interact. energy: -2.592
local terms energy: -301.186048
where:
bonds (distance) C4'-P energy: -56.168
bonds (distance) P-C4' energy: -66.794
flat angles C4'-P-C4' energy: -70.580
flat angles P-C4'-P energy: -35.794
tors. eta vs tors. theta energy: -71.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 444
Temperature: 1.300000
Total energy: -747.609510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -747.609510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -747.609510 (E_RNA)
where:
Base-Base interactions energy: -492.426
where: short stacking energy: -218.634
Base-Backbone interact. energy: 4.534
local terms energy: -259.717242
where:
bonds (distance) C4'-P energy: -62.642
bonds (distance) P-C4' energy: -53.506
flat angles C4'-P-C4' energy: -64.084
flat angles P-C4'-P energy: -35.360
tors. eta vs tors. theta energy: -44.125
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: 4
=====================================
Write number: 444
Temperature: 1.350000
Total energy: -485.599496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.599496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.599496 (E_RNA)
where:
Base-Base interactions energy: -268.718
where: short stacking energy: -135.588
Base-Backbone interact. energy: -0.440
local terms energy: -216.440908
where:
bonds (distance) C4'-P energy: -66.470
bonds (distance) P-C4' energy: -74.355
flat angles C4'-P-C4' energy: -53.256
flat angles P-C4'-P energy: -24.172
tors. eta vs tors. theta energy: 1.812
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: 9
=====================================
Write number: 445
Temperature: 0.900000
Total energy: -1414.697728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1414.697728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1414.697728 (E_RNA)
where:
Base-Base interactions energy: -1001.719
where: short stacking energy: -386.198
Base-Backbone interact. energy: -2.055
local terms energy: -410.923841
where:
bonds (distance) C4'-P energy: -76.499
bonds (distance) P-C4' energy: -82.954
flat angles C4'-P-C4' energy: -81.095
flat angles P-C4'-P energy: -63.525
tors. eta vs tors. theta energy: -106.851
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: 5
=====================================
Write number: 445
Temperature: 0.950000
Total energy: -1350.974105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1350.974105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1350.974105 (E_RNA)
where:
Base-Base interactions energy: -961.335
where: short stacking energy: -388.858
Base-Backbone interact. energy: -1.332
local terms energy: -388.307087
where:
bonds (distance) C4'-P energy: -75.545
bonds (distance) P-C4' energy: -77.826
flat angles C4'-P-C4' energy: -70.561
flat angles P-C4'-P energy: -55.085
tors. eta vs tors. theta energy: -109.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 445
Temperature: 1.000000
Total energy: -1289.589150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1289.589150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1289.589150 (E_RNA)
where:
Base-Base interactions energy: -905.635
where: short stacking energy: -392.227
Base-Backbone interact. energy: -0.847
local terms energy: -383.107638
where:
bonds (distance) C4'-P energy: -58.580
bonds (distance) P-C4' energy: -65.423
flat angles C4'-P-C4' energy: -85.572
flat angles P-C4'-P energy: -61.824
tors. eta vs tors. theta energy: -111.709
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: 4, replica: 3
=====================================
Write number: 445
Temperature: 1.050000
Total energy: -1280.049507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1280.049507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1280.049507 (E_RNA)
where:
Base-Base interactions energy: -892.524
where: short stacking energy: -377.977
Base-Backbone interact. energy: -1.694
local terms energy: -385.831364
where:
bonds (distance) C4'-P energy: -68.065
bonds (distance) P-C4' energy: -63.114
flat angles C4'-P-C4' energy: -84.859
flat angles P-C4'-P energy: -56.486
tors. eta vs tors. theta energy: -113.307
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: 6
=====================================
Write number: 445
Temperature: 1.100000
Total energy: -1147.258892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1147.258892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1147.258892 (E_RNA)
where:
Base-Base interactions energy: -814.363
where: short stacking energy: -302.543
Base-Backbone interact. energy: -0.561
local terms energy: -332.334714
where:
bonds (distance) C4'-P energy: -63.057
bonds (distance) P-C4' energy: -73.598
flat angles C4'-P-C4' energy: -74.158
flat angles P-C4'-P energy: -39.999
tors. eta vs tors. theta energy: -81.523
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: 2
=====================================
Write number: 445
Temperature: 1.150000
Total energy: -1116.792179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1116.792179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1116.792179 (E_RNA)
where:
Base-Base interactions energy: -756.070
where: short stacking energy: -317.313
Base-Backbone interact. energy: -0.692
local terms energy: -360.030214
where:
bonds (distance) C4'-P energy: -68.276
bonds (distance) P-C4' energy: -78.723
flat angles C4'-P-C4' energy: -72.334
flat angles P-C4'-P energy: -53.150
tors. eta vs tors. theta energy: -87.548
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: 7
=====================================
Write number: 445
Temperature: 1.200000
Total energy: -1041.317178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1041.317178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1041.317178 (E_RNA)
where:
Base-Base interactions energy: -714.852
where: short stacking energy: -304.846
Base-Backbone interact. energy: -1.354
local terms energy: -325.111170
where:
bonds (distance) C4'-P energy: -56.051
bonds (distance) P-C4' energy: -63.600
flat angles C4'-P-C4' energy: -76.684
flat angles P-C4'-P energy: -48.726
tors. eta vs tors. theta energy: -80.050
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: 8, replica: 1
=====================================
Write number: 445
Temperature: 1.250000
Total energy: -977.505444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -977.505444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -977.505444 (E_RNA)
where:
Base-Base interactions energy: -673.329
where: short stacking energy: -274.698
Base-Backbone interact. energy: -2.623
local terms energy: -301.553565
where:
bonds (distance) C4'-P energy: -54.247
bonds (distance) P-C4' energy: -56.301
flat angles C4'-P-C4' energy: -74.311
flat angles P-C4'-P energy: -43.927
tors. eta vs tors. theta energy: -72.768
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: 9, replica: 10
=====================================
Write number: 445
Temperature: 1.300000
Total energy: -714.511706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -714.511706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -714.511706 (E_RNA)
where:
Base-Base interactions energy: -440.943
where: short stacking energy: -192.404
Base-Backbone interact. energy: -2.677
local terms energy: -270.892304
where:
bonds (distance) C4'-P energy: -42.971
bonds (distance) P-C4' energy: -62.494
flat angles C4'-P-C4' energy: -66.814
flat angles P-C4'-P energy: -55.746
tors. eta vs tors. theta energy: -42.868
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: 10, replica: 4
=====================================
Write number: 445
Temperature: 1.350000
Total energy: -504.534142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.534142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.534142 (E_RNA)
where:
Base-Base interactions energy: -274.222
where: short stacking energy: -118.439
Base-Backbone interact. energy: -0.613
local terms energy: -229.699225
where:
bonds (distance) C4'-P energy: -67.278
bonds (distance) P-C4' energy: -63.730
flat angles C4'-P-C4' energy: -46.283
flat angles P-C4'-P energy: -38.380
tors. eta vs tors. theta energy: -14.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 446
Temperature: 0.900000
Total energy: -1414.304002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1414.304002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1414.304002 (E_RNA)
where:
Base-Base interactions energy: -995.896
where: short stacking energy: -401.919
Base-Backbone interact. energy: -2.424
local terms energy: -415.984238
where:
bonds (distance) C4'-P energy: -70.714
bonds (distance) P-C4' energy: -84.768
flat angles C4'-P-C4' energy: -84.011
flat angles P-C4'-P energy: -66.714
tors. eta vs tors. theta energy: -109.778
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: 2, replica: 5
=====================================
Write number: 446
Temperature: 0.950000
Total energy: -1356.511748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1356.511748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1356.511748 (E_RNA)
where:
Base-Base interactions energy: -948.347
where: short stacking energy: -393.864
Base-Backbone interact. energy: -1.403
local terms energy: -406.761967
where:
bonds (distance) C4'-P energy: -76.104
bonds (distance) P-C4' energy: -77.816
flat angles C4'-P-C4' energy: -82.781
flat angles P-C4'-P energy: -53.212
tors. eta vs tors. theta energy: -116.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 446
Temperature: 1.000000
Total energy: -1294.626344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1294.626344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1294.626344 (E_RNA)
where:
Base-Base interactions energy: -896.741
where: short stacking energy: -364.777
Base-Backbone interact. energy: -1.601
local terms energy: -396.284220
where:
bonds (distance) C4'-P energy: -68.243
bonds (distance) P-C4' energy: -72.898
flat angles C4'-P-C4' energy: -87.332
flat angles P-C4'-P energy: -53.261
tors. eta vs tors. theta energy: -114.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 446
Temperature: 1.050000
Total energy: -1221.579336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1221.579336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1221.579336 (E_RNA)
where:
Base-Base interactions energy: -840.742
where: short stacking energy: -372.178
Base-Backbone interact. energy: -0.127
local terms energy: -380.710145
where:
bonds (distance) C4'-P energy: -64.897
bonds (distance) P-C4' energy: -74.192
flat angles C4'-P-C4' energy: -86.600
flat angles P-C4'-P energy: -52.988
tors. eta vs tors. theta energy: -102.033
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: 6
=====================================
Write number: 446
Temperature: 1.100000
Total energy: -1164.371111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1164.371111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1164.371111 (E_RNA)
where:
Base-Base interactions energy: -823.239
where: short stacking energy: -327.862
Base-Backbone interact. energy: -4.805
local terms energy: -336.327033
where:
bonds (distance) C4'-P energy: -57.400
bonds (distance) P-C4' energy: -77.301
flat angles C4'-P-C4' energy: -74.613
flat angles P-C4'-P energy: -51.814
tors. eta vs tors. theta energy: -75.199
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: 2
=====================================
Write number: 446
Temperature: 1.150000
Total energy: -1077.417390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1077.417390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1077.417390 (E_RNA)
where:
Base-Base interactions energy: -745.485
where: short stacking energy: -311.883
Base-Backbone interact. energy: -1.224
local terms energy: -330.712239
where:
bonds (distance) C4'-P energy: -62.919
bonds (distance) P-C4' energy: -54.312
flat angles C4'-P-C4' energy: -68.203
flat angles P-C4'-P energy: -48.433
tors. eta vs tors. theta energy: -96.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.004 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 446
Temperature: 1.200000
Total energy: -1060.889343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1060.889343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1060.889343 (E_RNA)
where:
Base-Base interactions energy: -707.628
where: short stacking energy: -296.864
Base-Backbone interact. energy: -2.020
local terms energy: -351.241677
where:
bonds (distance) C4'-P energy: -62.755
bonds (distance) P-C4' energy: -64.855
flat angles C4'-P-C4' energy: -83.135
flat angles P-C4'-P energy: -57.722
tors. eta vs tors. theta energy: -82.775
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: 1
=====================================
Write number: 446
Temperature: 1.250000
Total energy: -897.748356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -897.748356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -897.748356 (E_RNA)
where:
Base-Base interactions energy: -596.024
where: short stacking energy: -260.040
Base-Backbone interact. energy: -0.711
local terms energy: -301.013842
where:
bonds (distance) C4'-P energy: -58.971
bonds (distance) P-C4' energy: -60.691
flat angles C4'-P-C4' energy: -74.035
flat angles P-C4'-P energy: -38.969
tors. eta vs tors. theta energy: -68.348
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: 10
=====================================
Write number: 446
Temperature: 1.300000
Total energy: -650.763666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -650.763666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -650.763666 (E_RNA)
where:
Base-Base interactions energy: -398.886
where: short stacking energy: -186.084
Base-Backbone interact. energy: 2.934
local terms energy: -254.811810
where:
bonds (distance) C4'-P energy: -66.724
bonds (distance) P-C4' energy: -77.478
flat angles C4'-P-C4' energy: -63.474
flat angles P-C4'-P energy: -25.476
tors. eta vs tors. theta energy: -21.661
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: 10, replica: 4
=====================================
Write number: 446
Temperature: 1.350000
Total energy: -495.865765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.865765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.865765 (E_RNA)
where:
Base-Base interactions energy: -281.259
where: short stacking energy: -154.761
Base-Backbone interact. energy: -2.644
local terms energy: -211.962866
where:
bonds (distance) C4'-P energy: -60.333
bonds (distance) P-C4' energy: -58.652
flat angles C4'-P-C4' energy: -53.196
flat angles P-C4'-P energy: -33.959
tors. eta vs tors. theta energy: -5.823
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: 9
=====================================
Write number: 447
Temperature: 0.900000
Total energy: -1383.777489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1383.777489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1383.777489 (E_RNA)
where:
Base-Base interactions energy: -981.538
where: short stacking energy: -393.957
Base-Backbone interact. energy: -2.339
local terms energy: -399.900270
where:
bonds (distance) C4'-P energy: -76.978
bonds (distance) P-C4' energy: -74.352
flat angles C4'-P-C4' energy: -84.451
flat angles P-C4'-P energy: -50.418
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: 2, replica: 5
=====================================
Write number: 447
Temperature: 0.950000
Total energy: -1376.576865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1376.576865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1376.576865 (E_RNA)
where:
Base-Base interactions energy: -982.562
where: short stacking energy: -402.715
Base-Backbone interact. energy: -3.098
local terms energy: -390.916566
where:
bonds (distance) C4'-P energy: -63.198
bonds (distance) P-C4' energy: -79.675
flat angles C4'-P-C4' energy: -86.620
flat angles P-C4'-P energy: -43.889
tors. eta vs tors. theta energy: -117.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 447
Temperature: 1.000000
Total energy: -1301.641100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1301.641100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1301.641100 (E_RNA)
where:
Base-Base interactions energy: -895.154
where: short stacking energy: -378.444
Base-Backbone interact. energy: -1.053
local terms energy: -405.434084
where:
bonds (distance) C4'-P energy: -80.243
bonds (distance) P-C4' energy: -63.264
flat angles C4'-P-C4' energy: -86.353
flat angles P-C4'-P energy: -59.452
tors. eta vs tors. theta energy: -116.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 447
Temperature: 1.050000
Total energy: -1194.973851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1194.973851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1194.973851 (E_RNA)
where:
Base-Base interactions energy: -846.399
where: short stacking energy: -327.562
Base-Backbone interact. energy: -4.456
local terms energy: -344.118437
where:
bonds (distance) C4'-P energy: -55.877
bonds (distance) P-C4' energy: -79.542
flat angles C4'-P-C4' energy: -77.373
flat angles P-C4'-P energy: -45.510
tors. eta vs tors. theta energy: -85.816
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: 447
Temperature: 1.100000
Total energy: -1214.720041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1214.720041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1214.720041 (E_RNA)
where:
Base-Base interactions energy: -852.157
where: short stacking energy: -360.510
Base-Backbone interact. energy: -1.495
local terms energy: -361.068031
where:
bonds (distance) C4'-P energy: -65.485
bonds (distance) P-C4' energy: -61.454
flat angles C4'-P-C4' energy: -76.382
flat angles P-C4'-P energy: -56.549
tors. eta vs tors. theta energy: -101.198
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: 7
=====================================
Write number: 447
Temperature: 1.150000
Total energy: -1111.113431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1111.113431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1111.113431 (E_RNA)
where:
Base-Base interactions energy: -772.811
where: short stacking energy: -313.802
Base-Backbone interact. energy: -1.781
local terms energy: -336.521970
where:
bonds (distance) C4'-P energy: -70.692
bonds (distance) P-C4' energy: -47.196
flat angles C4'-P-C4' energy: -78.673
flat angles P-C4'-P energy: -50.106
tors. eta vs tors. theta energy: -89.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 447
Temperature: 1.200000
Total energy: -1010.209392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1010.209392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1010.209392 (E_RNA)
where:
Base-Base interactions energy: -692.961
where: short stacking energy: -293.686
Base-Backbone interact. energy: -0.294
local terms energy: -316.955028
where:
bonds (distance) C4'-P energy: -54.021
bonds (distance) P-C4' energy: -63.777
flat angles C4'-P-C4' energy: -77.427
flat angles P-C4'-P energy: -42.678
tors. eta vs tors. theta energy: -79.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 447
Temperature: 1.250000
Total energy: -882.354023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -882.354023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -882.354023 (E_RNA)
where:
Base-Base interactions energy: -592.780
where: short stacking energy: -243.657
Base-Backbone interact. energy: 1.554
local terms energy: -291.128067
where:
bonds (distance) C4'-P energy: -67.332
bonds (distance) P-C4' energy: -68.342
flat angles C4'-P-C4' energy: -68.381
flat angles P-C4'-P energy: -42.877
tors. eta vs tors. theta energy: -44.196
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: 9, replica: 10
=====================================
Write number: 447
Temperature: 1.300000
Total energy: -666.362496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -666.362496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -666.362496 (E_RNA)
where:
Base-Base interactions energy: -429.927
where: short stacking energy: -194.567
Base-Backbone interact. energy: -0.132
local terms energy: -237.347802
where:
bonds (distance) C4'-P energy: -43.409
bonds (distance) P-C4' energy: -62.672
flat angles C4'-P-C4' energy: -62.996
flat angles P-C4'-P energy: -40.841
tors. eta vs tors. theta energy: -27.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.044 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 447
Temperature: 1.350000
Total energy: -514.705251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.705251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.705251 (E_RNA)
where:
Base-Base interactions energy: -282.752
where: short stacking energy: -137.420
Base-Backbone interact. energy: -1.841
local terms energy: -230.111916
where:
bonds (distance) C4'-P energy: -69.195
bonds (distance) P-C4' energy: -66.764
flat angles C4'-P-C4' energy: -52.970
flat angles P-C4'-P energy: -37.880
tors. eta vs tors. theta energy: -3.303
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: 5
=====================================
Write number: 448
Temperature: 0.900000
Total energy: -1405.400935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1405.400935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1405.400935 (E_RNA)
where:
Base-Base interactions energy: -987.242
where: short stacking energy: -413.384
Base-Backbone interact. energy: 0.288
local terms energy: -418.447054
where:
bonds (distance) C4'-P energy: -77.137
bonds (distance) P-C4' energy: -67.951
flat angles C4'-P-C4' energy: -88.032
flat angles P-C4'-P energy: -63.375
tors. eta vs tors. theta energy: -121.951
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: 9
=====================================
Write number: 448
Temperature: 0.950000
Total energy: -1393.807817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1393.807817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1393.807817 (E_RNA)
where:
Base-Base interactions energy: -984.267
where: short stacking energy: -415.499
Base-Backbone interact. energy: -2.019
local terms energy: -407.522248
where:
bonds (distance) C4'-P energy: -78.692
bonds (distance) P-C4' energy: -79.403
flat angles C4'-P-C4' energy: -79.738
flat angles P-C4'-P energy: -56.958
tors. eta vs tors. theta energy: -112.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 448
Temperature: 1.000000
Total energy: -1285.458595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1285.458595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1285.458595 (E_RNA)
where:
Base-Base interactions energy: -892.595
where: short stacking energy: -367.422
Base-Backbone interact. energy: 0.449
local terms energy: -393.312147
where:
bonds (distance) C4'-P energy: -70.006
bonds (distance) P-C4' energy: -79.932
flat angles C4'-P-C4' energy: -72.739
flat angles P-C4'-P energy: -56.133
tors. eta vs tors. theta energy: -114.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 448
Temperature: 1.050000
Total energy: -1217.921948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1217.921948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1217.921948 (E_RNA)
where:
Base-Base interactions energy: -857.014
where: short stacking energy: -326.710
Base-Backbone interact. energy: -0.092
local terms energy: -360.816186
where:
bonds (distance) C4'-P energy: -68.832
bonds (distance) P-C4' energy: -79.589
flat angles C4'-P-C4' energy: -77.688
flat angles P-C4'-P energy: -51.747
tors. eta vs tors. theta energy: -82.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 448
Temperature: 1.100000
Total energy: -1224.089010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1224.089010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1224.089010 (E_RNA)
where:
Base-Base interactions energy: -833.929
where: short stacking energy: -353.171
Base-Backbone interact. energy: 2.481
local terms energy: -392.641877
where:
bonds (distance) C4'-P energy: -73.041
bonds (distance) P-C4' energy: -75.192
flat angles C4'-P-C4' energy: -86.256
flat angles P-C4'-P energy: -55.235
tors. eta vs tors. theta energy: -102.919
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: 7
=====================================
Write number: 448
Temperature: 1.150000
Total energy: -1129.213432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1129.213432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1129.213432 (E_RNA)
where:
Base-Base interactions energy: -797.241
where: short stacking energy: -341.851
Base-Backbone interact. energy: -1.551
local terms energy: -330.421224
where:
bonds (distance) C4'-P energy: -60.878
bonds (distance) P-C4' energy: -60.277
flat angles C4'-P-C4' energy: -79.166
flat angles P-C4'-P energy: -43.623
tors. eta vs tors. theta energy: -86.476
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: 2
=====================================
Write number: 448
Temperature: 1.200000
Total energy: -1018.335640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1018.335640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1018.335640 (E_RNA)
where:
Base-Base interactions energy: -704.679
where: short stacking energy: -290.670
Base-Backbone interact. energy: -0.933
local terms energy: -312.724337
where:
bonds (distance) C4'-P energy: -68.898
bonds (distance) P-C4' energy: -56.860
flat angles C4'-P-C4' energy: -74.401
flat angles P-C4'-P energy: -40.107
tors. eta vs tors. theta energy: -72.457
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: 8, replica: 1
=====================================
Write number: 448
Temperature: 1.250000
Total energy: -907.334442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -907.334442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -907.334442 (E_RNA)
where:
Base-Base interactions energy: -599.817
where: short stacking energy: -263.376
Base-Backbone interact. energy: -1.846
local terms energy: -305.670610
where:
bonds (distance) C4'-P energy: -51.304
bonds (distance) P-C4' energy: -63.049
flat angles C4'-P-C4' energy: -82.163
flat angles P-C4'-P energy: -49.381
tors. eta vs tors. theta energy: -59.773
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: 448
Temperature: 1.300000
Total energy: -659.203866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -659.203866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -659.203866 (E_RNA)
where:
Base-Base interactions energy: -421.733
where: short stacking energy: -192.242
Base-Backbone interact. energy: 0.563
local terms energy: -238.033805
where:
bonds (distance) C4'-P energy: -35.730
bonds (distance) P-C4' energy: -62.085
flat angles C4'-P-C4' energy: -65.402
flat angles P-C4'-P energy: -45.251
tors. eta vs tors. theta energy: -29.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 448
Temperature: 1.350000
Total energy: -591.423468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -591.423468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -591.423468 (E_RNA)
where:
Base-Base interactions energy: -351.554
where: short stacking energy: -173.814
Base-Backbone interact. energy: 2.609
local terms energy: -242.478338
where:
bonds (distance) C4'-P energy: -63.373
bonds (distance) P-C4' energy: -68.951
flat angles C4'-P-C4' energy: -46.437
flat angles P-C4'-P energy: -39.486
tors. eta vs tors. theta energy: -24.231
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: 5
=====================================
Write number: 449
Temperature: 0.900000
Total energy: -1401.813368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1401.813368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1401.813368 (E_RNA)
where:
Base-Base interactions energy: -976.459
where: short stacking energy: -399.817
Base-Backbone interact. energy: 0.879
local terms energy: -426.233389
where:
bonds (distance) C4'-P energy: -82.351
bonds (distance) P-C4' energy: -77.551
flat angles C4'-P-C4' energy: -86.563
flat angles P-C4'-P energy: -60.367
tors. eta vs tors. theta energy: -119.402
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: 9
=====================================
Write number: 449
Temperature: 0.950000
Total energy: -1353.118246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1353.118246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1353.118246 (E_RNA)
where:
Base-Base interactions energy: -958.674
where: short stacking energy: -374.538
Base-Backbone interact. energy: 1.003
local terms energy: -395.447298
where:
bonds (distance) C4'-P energy: -71.045
bonds (distance) P-C4' energy: -82.090
flat angles C4'-P-C4' energy: -82.349
flat angles P-C4'-P energy: -57.362
tors. eta vs tors. theta energy: -102.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 449
Temperature: 1.000000
Total energy: -1298.488110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1298.488110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1298.488110 (E_RNA)
where:
Base-Base interactions energy: -897.925
where: short stacking energy: -393.529
Base-Backbone interact. energy: -1.870
local terms energy: -398.693330
where:
bonds (distance) C4'-P energy: -68.106
bonds (distance) P-C4' energy: -74.342
flat angles C4'-P-C4' energy: -82.265
flat angles P-C4'-P energy: -53.808
tors. eta vs tors. theta energy: -120.173
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: 3
=====================================
Write number: 449
Temperature: 1.050000
Total energy: -1259.424721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1259.424721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1259.424721 (E_RNA)
where:
Base-Base interactions energy: -865.329
where: short stacking energy: -372.908
Base-Backbone interact. energy: 0.852
local terms energy: -394.947936
where:
bonds (distance) C4'-P energy: -73.731
bonds (distance) P-C4' energy: -79.357
flat angles C4'-P-C4' energy: -85.312
flat angles P-C4'-P energy: -58.369
tors. eta vs tors. theta energy: -98.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 449
Temperature: 1.100000
Total energy: -1168.143855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1168.143855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1168.143855 (E_RNA)
where:
Base-Base interactions energy: -843.760
where: short stacking energy: -328.119
Base-Backbone interact. energy: 1.798
local terms energy: -326.181470
where:
bonds (distance) C4'-P energy: -59.264
bonds (distance) P-C4' energy: -59.580
flat angles C4'-P-C4' energy: -70.032
flat angles P-C4'-P energy: -51.315
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: 7
=====================================
Write number: 449
Temperature: 1.150000
Total energy: -1102.194383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1102.194383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1102.194383 (E_RNA)
where:
Base-Base interactions energy: -751.078
where: short stacking energy: -300.530
Base-Backbone interact. energy: -0.416
local terms energy: -350.699996
where:
bonds (distance) C4'-P energy: -66.757
bonds (distance) P-C4' energy: -82.163
flat angles C4'-P-C4' energy: -68.162
flat angles P-C4'-P energy: -52.476
tors. eta vs tors. theta energy: -81.141
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: 2
=====================================
Write number: 449
Temperature: 1.200000
Total energy: -991.180551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -991.180551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -991.180551 (E_RNA)
where:
Base-Base interactions energy: -655.635
where: short stacking energy: -292.364
Base-Backbone interact. energy: 0.226
local terms energy: -335.771511
where:
bonds (distance) C4'-P energy: -57.775
bonds (distance) P-C4' energy: -72.365
flat angles C4'-P-C4' energy: -78.677
flat angles P-C4'-P energy: -47.776
tors. eta vs tors. theta energy: -79.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 449
Temperature: 1.250000
Total energy: -896.280596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -896.280596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -896.280596 (E_RNA)
where:
Base-Base interactions energy: -591.788
where: short stacking energy: -245.710
Base-Backbone interact. energy: -1.034
local terms energy: -303.458317
where:
bonds (distance) C4'-P energy: -62.158
bonds (distance) P-C4' energy: -60.767
flat angles C4'-P-C4' energy: -68.634
flat angles P-C4'-P energy: -52.865
tors. eta vs tors. theta energy: -59.034
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: 10
=====================================
Write number: 449
Temperature: 1.300000
Total energy: -716.715011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -716.715011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -716.715011 (E_RNA)
where:
Base-Base interactions energy: -465.270
where: short stacking energy: -198.858
Base-Backbone interact. energy: -1.197
local terms energy: -250.247177
where:
bonds (distance) C4'-P energy: -50.974
bonds (distance) P-C4' energy: -57.341
flat angles C4'-P-C4' energy: -70.265
flat angles P-C4'-P energy: -30.279
tors. eta vs tors. theta energy: -41.388
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: 449
Temperature: 1.350000
Total energy: -495.818028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.818028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.818028 (E_RNA)
where:
Base-Base interactions energy: -282.348
where: short stacking energy: -133.891
Base-Backbone interact. energy: 0.416
local terms energy: -213.885754
where:
bonds (distance) C4'-P energy: -53.042
bonds (distance) P-C4' energy: -67.562
flat angles C4'-P-C4' energy: -57.253
flat angles P-C4'-P energy: -28.717
tors. eta vs tors. theta energy: -7.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 450
Temperature: 0.900000
Total energy: -1389.472721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1389.472721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1389.472721 (E_RNA)
where:
Base-Base interactions energy: -968.774
where: short stacking energy: -405.050
Base-Backbone interact. energy: -2.925
local terms energy: -417.773999
where:
bonds (distance) C4'-P energy: -78.801
bonds (distance) P-C4' energy: -76.560
flat angles C4'-P-C4' energy: -86.453
flat angles P-C4'-P energy: -56.396
tors. eta vs tors. theta energy: -119.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 450
Temperature: 0.950000
Total energy: -1374.939928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1374.939928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1374.939928 (E_RNA)
where:
Base-Base interactions energy: -972.918
where: short stacking energy: -391.535
Base-Backbone interact. energy: -1.887
local terms energy: -400.135459
where:
bonds (distance) C4'-P energy: -74.689
bonds (distance) P-C4' energy: -72.675
flat angles C4'-P-C4' energy: -86.923
flat angles P-C4'-P energy: -57.467
tors. eta vs tors. theta energy: -108.382
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: 8
=====================================
Write number: 450
Temperature: 1.000000
Total energy: -1307.558218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1307.558218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1307.558218 (E_RNA)
where:
Base-Base interactions energy: -903.983
where: short stacking energy: -392.659
Base-Backbone interact. energy: -0.831
local terms energy: -402.744285
where:
bonds (distance) C4'-P energy: -71.797
bonds (distance) P-C4' energy: -73.168
flat angles C4'-P-C4' energy: -83.090
flat angles P-C4'-P energy: -59.568
tors. eta vs tors. theta energy: -115.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 450
Temperature: 1.050000
Total energy: -1267.374672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1267.374672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1267.374672 (E_RNA)
where:
Base-Base interactions energy: -879.263
where: short stacking energy: -381.455
Base-Backbone interact. energy: -1.200
local terms energy: -386.911542
where:
bonds (distance) C4'-P energy: -66.083
bonds (distance) P-C4' energy: -65.528
flat angles C4'-P-C4' energy: -84.892
flat angles P-C4'-P energy: -59.444
tors. eta vs tors. theta energy: -110.965
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: 7
=====================================
Write number: 450
Temperature: 1.100000
Total energy: -1189.784989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1189.784989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1189.784989 (E_RNA)
where:
Base-Base interactions energy: -839.993
where: short stacking energy: -352.004
Base-Backbone interact. energy: -1.427
local terms energy: -348.365265
where:
bonds (distance) C4'-P energy: -56.970
bonds (distance) P-C4' energy: -67.499
flat angles C4'-P-C4' energy: -72.454
flat angles P-C4'-P energy: -60.651
tors. eta vs tors. theta energy: -90.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 450
Temperature: 1.150000
Total energy: -1094.165729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1094.165729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1094.165729 (E_RNA)
where:
Base-Base interactions energy: -764.784
where: short stacking energy: -297.034
Base-Backbone interact. energy: -2.299
local terms energy: -327.083093
where:
bonds (distance) C4'-P energy: -70.887
bonds (distance) P-C4' energy: -67.437
flat angles C4'-P-C4' energy: -64.860
flat angles P-C4'-P energy: -47.399
tors. eta vs tors. theta energy: -76.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 450
Temperature: 1.200000
Total energy: -1015.228340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1015.228340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1015.228340 (E_RNA)
where:
Base-Base interactions energy: -676.729
where: short stacking energy: -308.492
Base-Backbone interact. energy: -0.721
local terms energy: -337.778698
where:
bonds (distance) C4'-P energy: -58.568
bonds (distance) P-C4' energy: -61.443
flat angles C4'-P-C4' energy: -74.441
flat angles P-C4'-P energy: -49.874
tors. eta vs tors. theta energy: -93.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 450
Temperature: 1.250000
Total energy: -823.105754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -823.105754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -823.105754 (E_RNA)
where:
Base-Base interactions energy: -517.543
where: short stacking energy: -229.535
Base-Backbone interact. energy: -0.864
local terms energy: -304.698150
where:
bonds (distance) C4'-P energy: -64.218
bonds (distance) P-C4' energy: -71.495
flat angles C4'-P-C4' energy: -76.565
flat angles P-C4'-P energy: -35.317
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: 9, replica: 10
=====================================
Write number: 450
Temperature: 1.300000
Total energy: -733.466078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -733.466078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -733.466078 (E_RNA)
where:
Base-Base interactions energy: -470.306
where: short stacking energy: -229.307
Base-Backbone interact. energy: -0.206
local terms energy: -263.484715
where:
bonds (distance) C4'-P energy: -55.831
bonds (distance) P-C4' energy: -62.331
flat angles C4'-P-C4' energy: -59.881
flat angles P-C4'-P energy: -37.650
tors. eta vs tors. theta energy: -47.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.531 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 450
Temperature: 1.350000
Total energy: -502.956965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.956965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.956965 (E_RNA)
where:
Base-Base interactions energy: -290.655
where: short stacking energy: -142.787
Base-Backbone interact. energy: 1.158
local terms energy: -213.460604
where:
bonds (distance) C4'-P energy: -53.095
bonds (distance) P-C4' energy: -62.279
flat angles C4'-P-C4' energy: -49.268
flat angles P-C4'-P energy: -46.364
tors. eta vs tors. theta energy: -2.455
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: 451
Temperature: 0.900000
Total energy: -1388.207801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1388.207801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1388.207801 (E_RNA)
where:
Base-Base interactions energy: -993.007
where: short stacking energy: -411.969
Base-Backbone interact. energy: -0.664
local terms energy: -394.536074
where:
bonds (distance) C4'-P energy: -70.535
bonds (distance) P-C4' energy: -66.513
flat angles C4'-P-C4' energy: -88.575
flat angles P-C4'-P energy: -50.536
tors. eta vs tors. theta energy: -118.378
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: 451
Temperature: 0.950000
Total energy: -1349.435782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1349.435782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1349.435782 (E_RNA)
where:
Base-Base interactions energy: -947.172
where: short stacking energy: -385.210
Base-Backbone interact. energy: -1.752
local terms energy: -400.511619
where:
bonds (distance) C4'-P energy: -81.954
bonds (distance) P-C4' energy: -77.103
flat angles C4'-P-C4' energy: -86.110
flat angles P-C4'-P energy: -56.134
tors. eta vs tors. theta energy: -99.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 451
Temperature: 1.000000
Total energy: -1289.055420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1289.055420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1289.055420 (E_RNA)
where:
Base-Base interactions energy: -900.043
where: short stacking energy: -372.414
Base-Backbone interact. energy: 1.710
local terms energy: -390.722505
where:
bonds (distance) C4'-P energy: -66.146
bonds (distance) P-C4' energy: -72.680
flat angles C4'-P-C4' energy: -79.323
flat angles P-C4'-P energy: -63.095
tors. eta vs tors. theta energy: -109.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 451
Temperature: 1.050000
Total energy: -1255.349015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1255.349015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1255.349015 (E_RNA)
where:
Base-Base interactions energy: -858.333
where: short stacking energy: -374.730
Base-Backbone interact. energy: -2.235
local terms energy: -394.781799
where:
bonds (distance) C4'-P energy: -70.449
bonds (distance) P-C4' energy: -64.394
flat angles C4'-P-C4' energy: -88.526
flat angles P-C4'-P energy: -60.572
tors. eta vs tors. theta energy: -110.840
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: 7
=====================================
Write number: 451
Temperature: 1.100000
Total energy: -1191.523574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1191.523574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1191.523574 (E_RNA)
where:
Base-Base interactions energy: -830.014
where: short stacking energy: -341.994
Base-Backbone interact. energy: -0.659
local terms energy: -360.850644
where:
bonds (distance) C4'-P energy: -69.560
bonds (distance) P-C4' energy: -64.098
flat angles C4'-P-C4' energy: -77.767
flat angles P-C4'-P energy: -53.541
tors. eta vs tors. theta energy: -95.884
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: 6
=====================================
Write number: 451
Temperature: 1.150000
Total energy: -1128.891194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1128.891194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1128.891194 (E_RNA)
where:
Base-Base interactions energy: -820.362
where: short stacking energy: -327.632
Base-Backbone interact. energy: 0.110
local terms energy: -308.639444
where:
bonds (distance) C4'-P energy: -50.956
bonds (distance) P-C4' energy: -70.990
flat angles C4'-P-C4' energy: -71.955
flat angles P-C4'-P energy: -35.891
tors. eta vs tors. theta energy: -78.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 451
Temperature: 1.200000
Total energy: -1012.590896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1012.590896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1012.590896 (E_RNA)
where:
Base-Base interactions energy: -689.326
where: short stacking energy: -324.197
Base-Backbone interact. energy: -0.707
local terms energy: -322.558159
where:
bonds (distance) C4'-P energy: -67.439
bonds (distance) P-C4' energy: -69.808
flat angles C4'-P-C4' energy: -65.812
flat angles P-C4'-P energy: -45.163
tors. eta vs tors. theta energy: -74.336
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: 8, replica: 1
=====================================
Write number: 451
Temperature: 1.250000
Total energy: -870.108925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -870.108925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -870.108925 (E_RNA)
where:
Base-Base interactions energy: -565.088
where: short stacking energy: -254.495
Base-Backbone interact. energy: -0.171
local terms energy: -304.850368
where:
bonds (distance) C4'-P energy: -52.063
bonds (distance) P-C4' energy: -72.813
flat angles C4'-P-C4' energy: -67.166
flat angles P-C4'-P energy: -55.706
tors. eta vs tors. theta energy: -57.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 451
Temperature: 1.300000
Total energy: -725.066808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -725.066808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -725.066808 (E_RNA)
where:
Base-Base interactions energy: -465.755
where: short stacking energy: -204.938
Base-Backbone interact. energy: -1.231
local terms energy: -258.080237
where:
bonds (distance) C4'-P energy: -63.663
bonds (distance) P-C4' energy: -72.008
flat angles C4'-P-C4' energy: -66.868
flat angles P-C4'-P energy: -29.590
tors. eta vs tors. theta energy: -25.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 451
Temperature: 1.350000
Total energy: -472.851919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.851919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.851919 (E_RNA)
where:
Base-Base interactions energy: -259.622
where: short stacking energy: -125.327
Base-Backbone interact. energy: 0.877
local terms energy: -214.106963
where:
bonds (distance) C4'-P energy: -50.977
bonds (distance) P-C4' energy: -74.688
flat angles C4'-P-C4' energy: -39.756
flat angles P-C4'-P energy: -36.738
tors. eta vs tors. theta energy: -11.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 452
Temperature: 0.900000
Total energy: -1391.818280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1391.818280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1391.818280 (E_RNA)
where:
Base-Base interactions energy: -967.077
where: short stacking energy: -388.968
Base-Backbone interact. energy: -2.396
local terms energy: -422.345540
where:
bonds (distance) C4'-P energy: -76.998
bonds (distance) P-C4' energy: -81.839
flat angles C4'-P-C4' energy: -89.670
flat angles P-C4'-P energy: -59.063
tors. eta vs tors. theta energy: -114.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 452
Temperature: 0.950000
Total energy: -1327.895918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1327.895918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1327.895918 (E_RNA)
where:
Base-Base interactions energy: -936.775
where: short stacking energy: -376.302
Base-Backbone interact. energy: -4.456
local terms energy: -386.665047
where:
bonds (distance) C4'-P energy: -74.675
bonds (distance) P-C4' energy: -62.222
flat angles C4'-P-C4' energy: -83.605
flat angles P-C4'-P energy: -61.497
tors. eta vs tors. theta energy: -104.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 452
Temperature: 1.000000
Total energy: -1283.685450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1283.685450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1283.685450 (E_RNA)
where:
Base-Base interactions energy: -872.074
where: short stacking energy: -389.217
Base-Backbone interact. energy: -0.608
local terms energy: -411.003945
where:
bonds (distance) C4'-P energy: -80.697
bonds (distance) P-C4' energy: -71.889
flat angles C4'-P-C4' energy: -85.779
flat angles P-C4'-P energy: -49.399
tors. eta vs tors. theta energy: -123.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 452
Temperature: 1.050000
Total energy: -1211.788664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1211.788664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1211.788664 (E_RNA)
where:
Base-Base interactions energy: -833.200
where: short stacking energy: -365.598
Base-Backbone interact. energy: 1.161
local terms energy: -379.749117
where:
bonds (distance) C4'-P energy: -74.452
bonds (distance) P-C4' energy: -67.731
flat angles C4'-P-C4' energy: -76.420
flat angles P-C4'-P energy: -57.231
tors. eta vs tors. theta energy: -103.915
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: 5, replica: 7
=====================================
Write number: 452
Temperature: 1.100000
Total energy: -1170.623145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1170.623145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1170.623145 (E_RNA)
where:
Base-Base interactions energy: -794.116
where: short stacking energy: -335.139
Base-Backbone interact. energy: -0.027
local terms energy: -376.479390
where:
bonds (distance) C4'-P energy: -72.155
bonds (distance) P-C4' energy: -71.341
flat angles C4'-P-C4' energy: -84.355
flat angles P-C4'-P energy: -54.788
tors. eta vs tors. theta energy: -93.841
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: 6
=====================================
Write number: 452
Temperature: 1.150000
Total energy: -1122.788917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1122.788917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1122.788917 (E_RNA)
where:
Base-Base interactions energy: -800.401
where: short stacking energy: -295.738
Base-Backbone interact. energy: 3.437
local terms energy: -325.825136
where:
bonds (distance) C4'-P energy: -65.543
bonds (distance) P-C4' energy: -68.756
flat angles C4'-P-C4' energy: -75.301
flat angles P-C4'-P energy: -44.968
tors. eta vs tors. theta energy: -71.257
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: 7, replica: 2
=====================================
Write number: 452
Temperature: 1.200000
Total energy: -1003.299563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1003.299563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1003.299563 (E_RNA)
where:
Base-Base interactions energy: -683.226
where: short stacking energy: -289.283
Base-Backbone interact. energy: -1.154
local terms energy: -318.919588
where:
bonds (distance) C4'-P energy: -57.931
bonds (distance) P-C4' energy: -61.397
flat angles C4'-P-C4' energy: -74.828
flat angles P-C4'-P energy: -50.691
tors. eta vs tors. theta energy: -74.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 452
Temperature: 1.250000
Total energy: -901.295734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -901.295734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -901.295734 (E_RNA)
where:
Base-Base interactions energy: -588.917
where: short stacking energy: -236.670
Base-Backbone interact. energy: 1.766
local terms energy: -314.189161
where:
bonds (distance) C4'-P energy: -70.594
bonds (distance) P-C4' energy: -74.423
flat angles C4'-P-C4' energy: -71.883
flat angles P-C4'-P energy: -43.129
tors. eta vs tors. theta energy: -54.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.044 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 452
Temperature: 1.300000
Total energy: -708.301203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -708.301203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -708.301203 (E_RNA)
where:
Base-Base interactions energy: -440.734
where: short stacking energy: -212.838
Base-Backbone interact. energy: -1.965
local terms energy: -265.602487
where:
bonds (distance) C4'-P energy: -60.777
bonds (distance) P-C4' energy: -70.830
flat angles C4'-P-C4' energy: -56.718
flat angles P-C4'-P energy: -46.000
tors. eta vs tors. theta energy: -31.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 452
Temperature: 1.350000
Total energy: -471.376426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.376426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.376426 (E_RNA)
where:
Base-Base interactions energy: -270.532
where: short stacking energy: -139.960
Base-Backbone interact. energy: -1.801
local terms energy: -199.042987
where:
bonds (distance) C4'-P energy: -34.832
bonds (distance) P-C4' energy: -70.748
flat angles C4'-P-C4' energy: -54.986
flat angles P-C4'-P energy: -35.239
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: 5
=====================================
Write number: 453
Temperature: 0.900000
Total energy: -1377.447143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1377.447143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1377.447143 (E_RNA)
where:
Base-Base interactions energy: -956.682
where: short stacking energy: -391.919
Base-Backbone interact. energy: -0.169
local terms energy: -420.596160
where:
bonds (distance) C4'-P energy: -82.784
bonds (distance) P-C4' energy: -75.424
flat angles C4'-P-C4' energy: -89.417
flat angles P-C4'-P energy: -54.186
tors. eta vs tors. theta energy: -118.785
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: 2, replica: 9
=====================================
Write number: 453
Temperature: 0.950000
Total energy: -1350.981468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1350.981468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1350.981468 (E_RNA)
where:
Base-Base interactions energy: -962.821
where: short stacking energy: -382.662
Base-Backbone interact. energy: -0.552
local terms energy: -387.608601
where:
bonds (distance) C4'-P energy: -58.774
bonds (distance) P-C4' energy: -80.263
flat angles C4'-P-C4' energy: -85.333
flat angles P-C4'-P energy: -62.964
tors. eta vs tors. theta energy: -100.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 453
Temperature: 1.000000
Total energy: -1310.083790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1310.083790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1310.083790 (E_RNA)
where:
Base-Base interactions energy: -902.475
where: short stacking energy: -397.152
Base-Backbone interact. energy: -2.965
local terms energy: -404.644520
where:
bonds (distance) C4'-P energy: -79.529
bonds (distance) P-C4' energy: -72.572
flat angles C4'-P-C4' energy: -78.837
flat angles P-C4'-P energy: -46.516
tors. eta vs tors. theta energy: -127.190
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: 4, replica: 7
=====================================
Write number: 453
Temperature: 1.050000
Total energy: -1202.154249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1202.154249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1202.154249 (E_RNA)
where:
Base-Base interactions energy: -833.369
where: short stacking energy: -352.747
Base-Backbone interact. energy: -2.124
local terms energy: -366.661246
where:
bonds (distance) C4'-P energy: -57.062
bonds (distance) P-C4' energy: -70.078
flat angles C4'-P-C4' energy: -79.631
flat angles P-C4'-P energy: -52.532
tors. eta vs tors. theta energy: -107.358
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: 3
=====================================
Write number: 453
Temperature: 1.100000
Total energy: -1220.239441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1220.239441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1220.239441 (E_RNA)
where:
Base-Base interactions energy: -851.196
where: short stacking energy: -349.480
Base-Backbone interact. energy: 3.772
local terms energy: -372.815549
where:
bonds (distance) C4'-P energy: -61.444
bonds (distance) P-C4' energy: -78.885
flat angles C4'-P-C4' energy: -79.054
flat angles P-C4'-P energy: -55.035
tors. eta vs tors. theta energy: -98.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 453
Temperature: 1.150000
Total energy: -1109.280146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1109.280146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1109.280146 (E_RNA)
where:
Base-Base interactions energy: -769.675
where: short stacking energy: -283.265
Base-Backbone interact. energy: -0.763
local terms energy: -338.842188
where:
bonds (distance) C4'-P energy: -69.370
bonds (distance) P-C4' energy: -70.788
flat angles C4'-P-C4' energy: -75.741
flat angles P-C4'-P energy: -46.635
tors. eta vs tors. theta energy: -76.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 453
Temperature: 1.200000
Total energy: -983.395453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -983.395453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -983.395453 (E_RNA)
where:
Base-Base interactions energy: -668.483
where: short stacking energy: -277.266
Base-Backbone interact. energy: -0.713
local terms energy: -314.200070
where:
bonds (distance) C4'-P energy: -60.179
bonds (distance) P-C4' energy: -66.570
flat angles C4'-P-C4' energy: -70.143
flat angles P-C4'-P energy: -45.173
tors. eta vs tors. theta energy: -72.135
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: 1
=====================================
Write number: 453
Temperature: 1.250000
Total energy: -850.007824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -850.007824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -850.007824 (E_RNA)
where:
Base-Base interactions energy: -554.196
where: short stacking energy: -243.682
Base-Backbone interact. energy: -1.268
local terms energy: -294.544312
where:
bonds (distance) C4'-P energy: -60.517
bonds (distance) P-C4' energy: -63.699
flat angles C4'-P-C4' energy: -59.042
flat angles P-C4'-P energy: -53.829
tors. eta vs tors. theta energy: -57.457
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: 10
=====================================
Write number: 453
Temperature: 1.300000
Total energy: -720.807053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -720.807053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -720.807053 (E_RNA)
where:
Base-Base interactions energy: -456.050
where: short stacking energy: -215.055
Base-Backbone interact. energy: -1.047
local terms energy: -263.952436
where:
bonds (distance) C4'-P energy: -59.121
bonds (distance) P-C4' energy: -62.612
flat angles C4'-P-C4' energy: -60.754
flat angles P-C4'-P energy: -44.924
tors. eta vs tors. theta energy: -36.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.242 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 453
Temperature: 1.350000
Total energy: -504.745104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.745104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.745104 (E_RNA)
where:
Base-Base interactions energy: -290.946
where: short stacking energy: -136.743
Base-Backbone interact. energy: 1.433
local terms energy: -215.231498
where:
bonds (distance) C4'-P energy: -48.479
bonds (distance) P-C4' energy: -68.890
flat angles C4'-P-C4' energy: -57.898
flat angles P-C4'-P energy: -31.168
tors. eta vs tors. theta energy: -8.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 454
Temperature: 0.900000
Total energy: -1410.177347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1410.177347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1410.177347 (E_RNA)
where:
Base-Base interactions energy: -992.798
where: short stacking energy: -401.903
Base-Backbone interact. energy: -1.561
local terms energy: -415.818835
where:
bonds (distance) C4'-P energy: -80.254
bonds (distance) P-C4' energy: -74.913
flat angles C4'-P-C4' energy: -88.338
flat angles P-C4'-P energy: -57.080
tors. eta vs tors. theta energy: -115.234
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: 2, replica: 9
=====================================
Write number: 454
Temperature: 0.950000
Total energy: -1363.614494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1363.614494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1363.614494 (E_RNA)
where:
Base-Base interactions energy: -952.827
where: short stacking energy: -387.247
Base-Backbone interact. energy: -2.055
local terms energy: -408.732747
where:
bonds (distance) C4'-P energy: -73.938
bonds (distance) P-C4' energy: -74.686
flat angles C4'-P-C4' energy: -86.351
flat angles P-C4'-P energy: -67.007
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: 3, replica: 8
=====================================
Write number: 454
Temperature: 1.000000
Total energy: -1274.316360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1274.316360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1274.316360 (E_RNA)
where:
Base-Base interactions energy: -868.993
where: short stacking energy: -379.935
Base-Backbone interact. energy: -2.922
local terms energy: -402.401409
where:
bonds (distance) C4'-P energy: -72.026
bonds (distance) P-C4' energy: -76.002
flat angles C4'-P-C4' energy: -78.366
flat angles P-C4'-P energy: -53.044
tors. eta vs tors. theta energy: -122.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 454
Temperature: 1.050000
Total energy: -1228.452722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1228.452722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1228.452722 (E_RNA)
where:
Base-Base interactions energy: -846.330
where: short stacking energy: -378.461
Base-Backbone interact. energy: -0.735
local terms energy: -381.387407
where:
bonds (distance) C4'-P energy: -69.637
bonds (distance) P-C4' energy: -70.551
flat angles C4'-P-C4' energy: -83.125
flat angles P-C4'-P energy: -49.974
tors. eta vs tors. theta energy: -108.100
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: 3
=====================================
Write number: 454
Temperature: 1.100000
Total energy: -1226.612682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1226.612682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1226.612682 (E_RNA)
where:
Base-Base interactions energy: -833.781
where: short stacking energy: -352.639
Base-Backbone interact. energy: 1.546
local terms energy: -394.377020
where:
bonds (distance) C4'-P energy: -68.070
bonds (distance) P-C4' energy: -73.620
flat angles C4'-P-C4' energy: -87.414
flat angles P-C4'-P energy: -58.198
tors. eta vs tors. theta energy: -107.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 454
Temperature: 1.150000
Total energy: -1125.854601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1125.854601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1125.854601 (E_RNA)
where:
Base-Base interactions energy: -783.356
where: short stacking energy: -311.748
Base-Backbone interact. energy: -1.702
local terms energy: -340.796902
where:
bonds (distance) C4'-P energy: -59.965
bonds (distance) P-C4' energy: -73.105
flat angles C4'-P-C4' energy: -81.341
flat angles P-C4'-P energy: -44.792
tors. eta vs tors. theta energy: -81.594
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: 7, replica: 2
=====================================
Write number: 454
Temperature: 1.200000
Total energy: -996.471153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -996.471153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -996.471153 (E_RNA)
where:
Base-Base interactions energy: -684.444
where: short stacking energy: -277.852
Base-Backbone interact. energy: 1.708
local terms energy: -313.735717
where:
bonds (distance) C4'-P energy: -55.352
bonds (distance) P-C4' energy: -61.383
flat angles C4'-P-C4' energy: -68.435
flat angles P-C4'-P energy: -53.147
tors. eta vs tors. theta energy: -75.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 454
Temperature: 1.250000
Total energy: -841.372851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -841.372851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -841.372851 (E_RNA)
where:
Base-Base interactions energy: -534.667
where: short stacking energy: -234.323
Base-Backbone interact. energy: 1.219
local terms energy: -307.925833
where:
bonds (distance) C4'-P energy: -61.088
bonds (distance) P-C4' energy: -70.046
flat angles C4'-P-C4' energy: -75.087
flat angles P-C4'-P energy: -47.412
tors. eta vs tors. theta energy: -54.293
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: 454
Temperature: 1.300000
Total energy: -674.922916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -674.922916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -674.922916 (E_RNA)
where:
Base-Base interactions energy: -415.622
where: short stacking energy: -210.814
Base-Backbone interact. energy: 0.867
local terms energy: -260.167784
where:
bonds (distance) C4'-P energy: -74.760
bonds (distance) P-C4' energy: -52.673
flat angles C4'-P-C4' energy: -63.829
flat angles P-C4'-P energy: -29.420
tors. eta vs tors. theta energy: -39.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 454
Temperature: 1.350000
Total energy: -500.976672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.976672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.976672 (E_RNA)
where:
Base-Base interactions energy: -296.960
where: short stacking energy: -154.269
Base-Backbone interact. energy: 3.735
local terms energy: -207.751369
where:
bonds (distance) C4'-P energy: -53.248
bonds (distance) P-C4' energy: -50.837
flat angles C4'-P-C4' energy: -62.863
flat angles P-C4'-P energy: -28.827
tors. eta vs tors. theta energy: -11.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 455
Temperature: 0.900000
Total energy: -1407.190502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1407.190502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1407.190502 (E_RNA)
where:
Base-Base interactions energy: -1002.642
where: short stacking energy: -414.763
Base-Backbone interact. energy: -0.399
local terms energy: -404.149553
where:
bonds (distance) C4'-P energy: -69.545
bonds (distance) P-C4' energy: -80.342
flat angles C4'-P-C4' energy: -78.104
flat angles P-C4'-P energy: -58.784
tors. eta vs tors. theta energy: -117.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 455
Temperature: 0.950000
Total energy: -1353.090167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1353.090167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1353.090167 (E_RNA)
where:
Base-Base interactions energy: -957.672
where: short stacking energy: -392.051
Base-Backbone interact. energy: -2.868
local terms energy: -392.549811
where:
bonds (distance) C4'-P energy: -72.181
bonds (distance) P-C4' energy: -79.219
flat angles C4'-P-C4' energy: -83.424
flat angles P-C4'-P energy: -56.062
tors. eta vs tors. theta energy: -101.664
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: 8
=====================================
Write number: 455
Temperature: 1.000000
Total energy: -1286.867820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1286.867820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1286.867820 (E_RNA)
where:
Base-Base interactions energy: -894.503
where: short stacking energy: -390.922
Base-Backbone interact. energy: -1.628
local terms energy: -390.736676
where:
bonds (distance) C4'-P energy: -77.549
bonds (distance) P-C4' energy: -62.028
flat angles C4'-P-C4' energy: -77.490
flat angles P-C4'-P energy: -48.671
tors. eta vs tors. theta energy: -124.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 455
Temperature: 1.050000
Total energy: -1258.356008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1258.356008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1258.356008 (E_RNA)
where:
Base-Base interactions energy: -855.402
where: short stacking energy: -366.063
Base-Backbone interact. energy: -3.032
local terms energy: -399.922324
where:
bonds (distance) C4'-P energy: -80.637
bonds (distance) P-C4' energy: -76.133
flat angles C4'-P-C4' energy: -86.035
flat angles P-C4'-P energy: -52.503
tors. eta vs tors. theta energy: -104.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 455
Temperature: 1.100000
Total energy: -1203.158528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1203.158528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1203.158528 (E_RNA)
where:
Base-Base interactions energy: -832.823
where: short stacking energy: -357.032
Base-Backbone interact. energy: -0.271
local terms energy: -370.064559
where:
bonds (distance) C4'-P energy: -68.881
bonds (distance) P-C4' energy: -77.381
flat angles C4'-P-C4' energy: -80.484
flat angles P-C4'-P energy: -47.905
tors. eta vs tors. theta energy: -95.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 455
Temperature: 1.150000
Total energy: -1114.713156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1114.713156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1114.713156 (E_RNA)
where:
Base-Base interactions energy: -794.780
where: short stacking energy: -312.545
Base-Backbone interact. energy: -0.927
local terms energy: -319.006077
where:
bonds (distance) C4'-P energy: -60.599
bonds (distance) P-C4' energy: -57.155
flat angles C4'-P-C4' energy: -74.660
flat angles P-C4'-P energy: -51.500
tors. eta vs tors. theta energy: -75.092
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: 2
=====================================
Write number: 455
Temperature: 1.200000
Total energy: -993.783658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -993.783658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -993.783658 (E_RNA)
where:
Base-Base interactions energy: -663.031
where: short stacking energy: -294.192
Base-Backbone interact. energy: -1.371
local terms energy: -329.381369
where:
bonds (distance) C4'-P energy: -61.894
bonds (distance) P-C4' energy: -73.142
flat angles C4'-P-C4' energy: -65.924
flat angles P-C4'-P energy: -45.540
tors. eta vs tors. theta energy: -82.881
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: 1
=====================================
Write number: 455
Temperature: 1.250000
Total energy: -921.099282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -921.099282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -921.099282 (E_RNA)
where:
Base-Base interactions energy: -615.237
where: short stacking energy: -276.659
Base-Backbone interact. energy: -1.831
local terms energy: -304.031502
where:
bonds (distance) C4'-P energy: -66.158
bonds (distance) P-C4' energy: -62.154
flat angles C4'-P-C4' energy: -57.402
flat angles P-C4'-P energy: -52.161
tors. eta vs tors. theta energy: -66.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 455
Temperature: 1.300000
Total energy: -681.274156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -681.274156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -681.274156 (E_RNA)
where:
Base-Base interactions energy: -433.457
where: short stacking energy: -206.303
Base-Backbone interact. energy: 2.732
local terms energy: -250.981137
where:
bonds (distance) C4'-P energy: -48.848
bonds (distance) P-C4' energy: -73.365
flat angles C4'-P-C4' energy: -56.853
flat angles P-C4'-P energy: -35.095
tors. eta vs tors. theta energy: -36.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.432 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 455
Temperature: 1.350000
Total energy: -484.235726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.235726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.235726 (E_RNA)
where:
Base-Base interactions energy: -274.772
where: short stacking energy: -121.526
Base-Backbone interact. energy: 0.105
local terms energy: -210.686059
where:
bonds (distance) C4'-P energy: -58.070
bonds (distance) P-C4' energy: -66.734
flat angles C4'-P-C4' energy: -49.884
flat angles P-C4'-P energy: -33.388
tors. eta vs tors. theta energy: -2.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.117 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 456
Temperature: 0.900000
Total energy: -1389.436110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1389.436110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1389.436110 (E_RNA)
where:
Base-Base interactions energy: -976.687
where: short stacking energy: -404.917
Base-Backbone interact. energy: -5.219
local terms energy: -407.530100
where:
bonds (distance) C4'-P energy: -80.504
bonds (distance) P-C4' energy: -70.756
flat angles C4'-P-C4' energy: -89.087
flat angles P-C4'-P energy: -59.349
tors. eta vs tors. theta energy: -107.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 456
Temperature: 0.950000
Total energy: -1366.368864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1366.368864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1366.368864 (E_RNA)
where:
Base-Base interactions energy: -959.079
where: short stacking energy: -396.140
Base-Backbone interact. energy: -2.979
local terms energy: -404.311462
where:
bonds (distance) C4'-P energy: -69.355
bonds (distance) P-C4' energy: -74.833
flat angles C4'-P-C4' energy: -82.793
flat angles P-C4'-P energy: -58.792
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: 3, replica: 3
=====================================
Write number: 456
Temperature: 1.000000
Total energy: -1326.905084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1326.905084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1326.905084 (E_RNA)
where:
Base-Base interactions energy: -914.543
where: short stacking energy: -401.358
Base-Backbone interact. energy: -1.159
local terms energy: -411.202231
where:
bonds (distance) C4'-P energy: -79.419
bonds (distance) P-C4' energy: -74.021
flat angles C4'-P-C4' energy: -75.648
flat angles P-C4'-P energy: -65.813
tors. eta vs tors. theta energy: -116.301
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: 8
=====================================
Write number: 456
Temperature: 1.050000
Total energy: -1287.361058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1287.361058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1287.361058 (E_RNA)
where:
Base-Base interactions energy: -881.238
where: short stacking energy: -391.799
Base-Backbone interact. energy: -1.670
local terms energy: -404.453659
where:
bonds (distance) C4'-P energy: -77.763
bonds (distance) P-C4' energy: -78.461
flat angles C4'-P-C4' energy: -80.617
flat angles P-C4'-P energy: -52.352
tors. eta vs tors. theta energy: -115.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 456
Temperature: 1.100000
Total energy: -1234.277403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1234.277403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1234.277403 (E_RNA)
where:
Base-Base interactions energy: -847.872
where: short stacking energy: -357.687
Base-Backbone interact. energy: -1.146
local terms energy: -385.259334
where:
bonds (distance) C4'-P energy: -69.606
bonds (distance) P-C4' energy: -61.991
flat angles C4'-P-C4' energy: -89.706
flat angles P-C4'-P energy: -54.225
tors. eta vs tors. theta energy: -109.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 456
Temperature: 1.150000
Total energy: -1103.384184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1103.384184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1103.384184 (E_RNA)
where:
Base-Base interactions energy: -786.273
where: short stacking energy: -315.200
Base-Backbone interact. energy: 9.443
local terms energy: -326.554219
where:
bonds (distance) C4'-P energy: -58.859
bonds (distance) P-C4' energy: -71.008
flat angles C4'-P-C4' energy: -63.493
flat angles P-C4'-P energy: -51.756
tors. eta vs tors. theta energy: -81.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 456
Temperature: 1.200000
Total energy: -1013.688615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1013.688615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1013.688615 (E_RNA)
where:
Base-Base interactions energy: -690.793
where: short stacking energy: -279.244
Base-Backbone interact. energy: -1.489
local terms energy: -321.406590
where:
bonds (distance) C4'-P energy: -72.364
bonds (distance) P-C4' energy: -57.009
flat angles C4'-P-C4' energy: -67.286
flat angles P-C4'-P energy: -49.185
tors. eta vs tors. theta energy: -75.562
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: 456
Temperature: 1.250000
Total energy: -869.577834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -869.577834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -869.577834 (E_RNA)
where:
Base-Base interactions energy: -583.473
where: short stacking energy: -253.497
Base-Backbone interact. energy: -4.021
local terms energy: -282.083825
where:
bonds (distance) C4'-P energy: -61.652
bonds (distance) P-C4' energy: -58.675
flat angles C4'-P-C4' energy: -82.421
flat angles P-C4'-P energy: -29.128
tors. eta vs tors. theta energy: -50.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 456
Temperature: 1.300000
Total energy: -686.187292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -686.187292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -686.187292 (E_RNA)
where:
Base-Base interactions energy: -441.439
where: short stacking energy: -196.307
Base-Backbone interact. energy: -0.751
local terms energy: -243.997487
where:
bonds (distance) C4'-P energy: -55.772
bonds (distance) P-C4' energy: -53.260
flat angles C4'-P-C4' energy: -72.625
flat angles P-C4'-P energy: -40.010
tors. eta vs tors. theta energy: -22.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 456
Temperature: 1.350000
Total energy: -541.598367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.598367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.598367 (E_RNA)
where:
Base-Base interactions energy: -309.077
where: short stacking energy: -148.922
Base-Backbone interact. energy: -0.196
local terms energy: -232.325260
where:
bonds (distance) C4'-P energy: -62.480
bonds (distance) P-C4' energy: -60.809
flat angles C4'-P-C4' energy: -59.475
flat angles P-C4'-P energy: -45.408
tors. eta vs tors. theta energy: -4.153
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: 9
=====================================
Write number: 457
Temperature: 0.900000
Total energy: -1368.131247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1368.131247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1368.131247 (E_RNA)
where:
Base-Base interactions energy: -972.111
where: short stacking energy: -379.943
Base-Backbone interact. energy: 0.895
local terms energy: -396.915923
where:
bonds (distance) C4'-P energy: -80.064
bonds (distance) P-C4' energy: -69.302
flat angles C4'-P-C4' energy: -81.536
flat angles P-C4'-P energy: -62.457
tors. eta vs tors. theta energy: -103.556
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: 2, replica: 5
=====================================
Write number: 457
Temperature: 0.950000
Total energy: -1356.896080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1356.896080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1356.896080 (E_RNA)
where:
Base-Base interactions energy: -952.254
where: short stacking energy: -401.849
Base-Backbone interact. energy: 3.223
local terms energy: -407.865311
where:
bonds (distance) C4'-P energy: -71.978
bonds (distance) P-C4' energy: -82.672
flat angles C4'-P-C4' energy: -83.687
flat angles P-C4'-P energy: -56.650
tors. eta vs tors. theta energy: -112.878
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: 3, replica: 3
=====================================
Write number: 457
Temperature: 1.000000
Total energy: -1284.969989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1284.969989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1284.969989 (E_RNA)
where:
Base-Base interactions energy: -880.853
where: short stacking energy: -389.548
Base-Backbone interact. energy: -0.862
local terms energy: -403.254941
where:
bonds (distance) C4'-P energy: -61.612
bonds (distance) P-C4' energy: -86.645
flat angles C4'-P-C4' energy: -85.373
flat angles P-C4'-P energy: -58.840
tors. eta vs tors. theta energy: -110.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 457
Temperature: 1.050000
Total energy: -1244.172016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1244.172016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1244.172016 (E_RNA)
where:
Base-Base interactions energy: -852.917
where: short stacking energy: -372.009
Base-Backbone interact. energy: -1.407
local terms energy: -389.848738
where:
bonds (distance) C4'-P energy: -69.304
bonds (distance) P-C4' energy: -72.096
flat angles C4'-P-C4' energy: -80.211
flat angles P-C4'-P energy: -55.956
tors. eta vs tors. theta energy: -112.282
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: 457
Temperature: 1.100000
Total energy: -1188.586716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1188.586716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1188.586716 (E_RNA)
where:
Base-Base interactions energy: -811.354
where: short stacking energy: -345.054
Base-Backbone interact. energy: 0.248
local terms energy: -377.480976
where:
bonds (distance) C4'-P energy: -63.392
bonds (distance) P-C4' energy: -83.342
flat angles C4'-P-C4' energy: -84.232
flat angles P-C4'-P energy: -51.343
tors. eta vs tors. theta energy: -95.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 457
Temperature: 1.150000
Total energy: -1075.067195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1075.067195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1075.067195 (E_RNA)
where:
Base-Base interactions energy: -724.614
where: short stacking energy: -305.810
Base-Backbone interact. energy: -1.708
local terms energy: -348.745107
where:
bonds (distance) C4'-P energy: -58.525
bonds (distance) P-C4' energy: -70.158
flat angles C4'-P-C4' energy: -75.353
flat angles P-C4'-P energy: -54.022
tors. eta vs tors. theta energy: -90.688
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: 7, replica: 6
=====================================
Write number: 457
Temperature: 1.200000
Total energy: -1025.142552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1025.142552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1025.142552 (E_RNA)
where:
Base-Base interactions energy: -701.183
where: short stacking energy: -278.463
Base-Backbone interact. energy: -1.487
local terms energy: -322.472379
where:
bonds (distance) C4'-P energy: -62.980
bonds (distance) P-C4' energy: -80.110
flat angles C4'-P-C4' energy: -72.692
flat angles P-C4'-P energy: -47.120
tors. eta vs tors. theta energy: -59.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 457
Temperature: 1.250000
Total energy: -939.271018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -939.271018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -939.271018 (E_RNA)
where:
Base-Base interactions energy: -613.172
where: short stacking energy: -279.983
Base-Backbone interact. energy: 1.974
local terms energy: -328.072946
where:
bonds (distance) C4'-P energy: -70.310
bonds (distance) P-C4' energy: -68.231
flat angles C4'-P-C4' energy: -70.221
flat angles P-C4'-P energy: -39.522
tors. eta vs tors. theta energy: -79.789
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: 9, replica: 10
=====================================
Write number: 457
Temperature: 1.300000
Total energy: -667.016532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -667.016532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -667.016532 (E_RNA)
where:
Base-Base interactions energy: -434.884
where: short stacking energy: -213.181
Base-Backbone interact. energy: 1.579
local terms energy: -233.711614
where:
bonds (distance) C4'-P energy: -68.848
bonds (distance) P-C4' energy: -55.610
flat angles C4'-P-C4' energy: -39.372
flat angles P-C4'-P energy: -36.761
tors. eta vs tors. theta energy: -33.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 457
Temperature: 1.350000
Total energy: -574.494337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -574.494337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -574.494337 (E_RNA)
where:
Base-Base interactions energy: -339.538
where: short stacking energy: -164.543
Base-Backbone interact. energy: -1.923
local terms energy: -233.033824
where:
bonds (distance) C4'-P energy: -42.198
bonds (distance) P-C4' energy: -71.801
flat angles C4'-P-C4' energy: -58.963
flat angles P-C4'-P energy: -43.353
tors. eta vs tors. theta energy: -16.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 458
Temperature: 0.900000
Total energy: -1385.460740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1385.460740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1385.460740 (E_RNA)
where:
Base-Base interactions energy: -979.946
where: short stacking energy: -396.774
Base-Backbone interact. energy: -3.995
local terms energy: -401.519560
where:
bonds (distance) C4'-P energy: -84.821
bonds (distance) P-C4' energy: -75.418
flat angles C4'-P-C4' energy: -78.173
flat angles P-C4'-P energy: -52.591
tors. eta vs tors. theta energy: -110.516
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: 5
=====================================
Write number: 458
Temperature: 0.950000
Total energy: -1370.658722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1370.658722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1370.658722 (E_RNA)
where:
Base-Base interactions energy: -969.704
where: short stacking energy: -393.560
Base-Backbone interact. energy: -1.916
local terms energy: -399.039104
where:
bonds (distance) C4'-P energy: -79.909
bonds (distance) P-C4' energy: -70.783
flat angles C4'-P-C4' energy: -87.193
flat angles P-C4'-P energy: -53.587
tors. eta vs tors. theta energy: -107.568
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: 3, replica: 3
=====================================
Write number: 458
Temperature: 1.000000
Total energy: -1298.432330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1298.432330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1298.432330 (E_RNA)
where:
Base-Base interactions energy: -882.721
where: short stacking energy: -385.485
Base-Backbone interact. energy: -1.529
local terms energy: -414.181636
where:
bonds (distance) C4'-P energy: -72.801
bonds (distance) P-C4' energy: -77.165
flat angles C4'-P-C4' energy: -88.599
flat angles P-C4'-P energy: -63.749
tors. eta vs tors. theta energy: -111.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 458
Temperature: 1.050000
Total energy: -1280.874971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1280.874971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1280.874971 (E_RNA)
where:
Base-Base interactions energy: -885.131
where: short stacking energy: -380.256
Base-Backbone interact. energy: -2.185
local terms energy: -393.559602
where:
bonds (distance) C4'-P energy: -73.780
bonds (distance) P-C4' energy: -73.065
flat angles C4'-P-C4' energy: -78.400
flat angles P-C4'-P energy: -53.920
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: 5, replica: 7
=====================================
Write number: 458
Temperature: 1.100000
Total energy: -1182.940272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1182.940272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1182.940272 (E_RNA)
where:
Base-Base interactions energy: -828.133
where: short stacking energy: -338.727
Base-Backbone interact. energy: -2.233
local terms energy: -352.575226
where:
bonds (distance) C4'-P energy: -62.549
bonds (distance) P-C4' energy: -64.766
flat angles C4'-P-C4' energy: -76.434
flat angles P-C4'-P energy: -56.020
tors. eta vs tors. theta energy: -92.807
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: 2
=====================================
Write number: 458
Temperature: 1.150000
Total energy: -1094.453837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1094.453837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1094.453837 (E_RNA)
where:
Base-Base interactions energy: -743.805
where: short stacking energy: -336.384
Base-Backbone interact. energy: -0.548
local terms energy: -350.101214
where:
bonds (distance) C4'-P energy: -64.757
bonds (distance) P-C4' energy: -73.065
flat angles C4'-P-C4' energy: -72.684
flat angles P-C4'-P energy: -48.910
tors. eta vs tors. theta energy: -90.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 458
Temperature: 1.200000
Total energy: -1029.930770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1029.930770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1029.930770 (E_RNA)
where:
Base-Base interactions energy: -710.485
where: short stacking energy: -289.347
Base-Backbone interact. energy: -1.179
local terms energy: -318.266970
where:
bonds (distance) C4'-P energy: -59.643
bonds (distance) P-C4' energy: -71.365
flat angles C4'-P-C4' energy: -71.614
flat angles P-C4'-P energy: -41.829
tors. eta vs tors. theta energy: -73.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 458
Temperature: 1.250000
Total energy: -890.063374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -890.063374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -890.063374 (E_RNA)
where:
Base-Base interactions energy: -584.485
where: short stacking energy: -249.236
Base-Backbone interact. energy: -1.334
local terms energy: -304.244455
where:
bonds (distance) C4'-P energy: -58.217
bonds (distance) P-C4' energy: -70.450
flat angles C4'-P-C4' energy: -68.672
flat angles P-C4'-P energy: -49.427
tors. eta vs tors. theta energy: -57.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 458
Temperature: 1.300000
Total energy: -673.965489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -673.965489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -673.965489 (E_RNA)
where:
Base-Base interactions energy: -402.313
where: short stacking energy: -196.312
Base-Backbone interact. energy: -1.236
local terms energy: -270.417086
where:
bonds (distance) C4'-P energy: -60.968
bonds (distance) P-C4' energy: -73.481
flat angles C4'-P-C4' energy: -59.763
flat angles P-C4'-P energy: -45.931
tors. eta vs tors. theta energy: -30.274
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: 4
=====================================
Write number: 458
Temperature: 1.350000
Total energy: -565.528605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -565.528605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -565.528605 (E_RNA)
where:
Base-Base interactions energy: -321.181
where: short stacking energy: -171.584
Base-Backbone interact. energy: -2.730
local terms energy: -241.617652
where:
bonds (distance) C4'-P energy: -61.912
bonds (distance) P-C4' energy: -62.347
flat angles C4'-P-C4' energy: -62.658
flat angles P-C4'-P energy: -30.642
tors. eta vs tors. theta energy: -24.059
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 459
Temperature: 0.900000
Total energy: -1387.492925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1387.492925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1387.492925 (E_RNA)
where:
Base-Base interactions energy: -972.525
where: short stacking energy: -402.718
Base-Backbone interact. energy: -3.027
local terms energy: -411.940131
where:
bonds (distance) C4'-P energy: -72.653
bonds (distance) P-C4' energy: -74.295
flat angles C4'-P-C4' energy: -95.832
flat angles P-C4'-P energy: -62.163
tors. eta vs tors. theta energy: -106.997
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: 459
Temperature: 0.950000
Total energy: -1359.445792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1359.445792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1359.445792 (E_RNA)
where:
Base-Base interactions energy: -945.794
where: short stacking energy: -399.091
Base-Backbone interact. energy: 2.622
local terms energy: -416.274148
where:
bonds (distance) C4'-P energy: -75.487
bonds (distance) P-C4' energy: -87.183
flat angles C4'-P-C4' energy: -85.011
flat angles P-C4'-P energy: -54.365
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: 3, replica: 3
=====================================
Write number: 459
Temperature: 1.000000
Total energy: -1291.557066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1291.557066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1291.557066 (E_RNA)
where:
Base-Base interactions energy: -905.725
where: short stacking energy: -378.375
Base-Backbone interact. energy: -1.914
local terms energy: -383.917945
where:
bonds (distance) C4'-P energy: -71.390
bonds (distance) P-C4' energy: -70.775
flat angles C4'-P-C4' energy: -82.711
flat angles P-C4'-P energy: -46.805
tors. eta vs tors. theta energy: -112.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 459
Temperature: 1.050000
Total energy: -1291.572860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1291.572860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1291.572860 (E_RNA)
where:
Base-Base interactions energy: -876.148
where: short stacking energy: -400.093
Base-Backbone interact. energy: -2.962
local terms energy: -412.462439
where:
bonds (distance) C4'-P energy: -71.664
bonds (distance) P-C4' energy: -77.910
flat angles C4'-P-C4' energy: -89.455
flat angles P-C4'-P energy: -51.833
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: 5, replica: 7
=====================================
Write number: 459
Temperature: 1.100000
Total energy: -1187.424823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1187.424823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1187.424823 (E_RNA)
where:
Base-Base interactions energy: -822.513
where: short stacking energy: -341.682
Base-Backbone interact. energy: 0.785
local terms energy: -365.696949
where:
bonds (distance) C4'-P energy: -78.435
bonds (distance) P-C4' energy: -63.780
flat angles C4'-P-C4' energy: -71.244
flat angles P-C4'-P energy: -55.469
tors. eta vs tors. theta energy: -96.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 459
Temperature: 1.150000
Total energy: -1103.223505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1103.223505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1103.223505 (E_RNA)
where:
Base-Base interactions energy: -763.830
where: short stacking energy: -318.907
Base-Backbone interact. energy: -0.877
local terms energy: -338.516064
where:
bonds (distance) C4'-P energy: -63.882
bonds (distance) P-C4' energy: -58.846
flat angles C4'-P-C4' energy: -74.915
flat angles P-C4'-P energy: -46.897
tors. eta vs tors. theta energy: -93.976
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: 6
=====================================
Write number: 459
Temperature: 1.200000
Total energy: -1030.650436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1030.650436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1030.650436 (E_RNA)
where:
Base-Base interactions energy: -701.106
where: short stacking energy: -289.421
Base-Backbone interact. energy: -2.280
local terms energy: -327.264349
where:
bonds (distance) C4'-P energy: -64.746
bonds (distance) P-C4' energy: -84.245
flat angles C4'-P-C4' energy: -66.992
flat angles P-C4'-P energy: -37.106
tors. eta vs tors. theta energy: -74.175
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: 1
=====================================
Write number: 459
Temperature: 1.250000
Total energy: -847.307645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -847.307645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -847.307645 (E_RNA)
where:
Base-Base interactions energy: -560.846
where: short stacking energy: -249.225
Base-Backbone interact. energy: 3.001
local terms energy: -289.462711
where:
bonds (distance) C4'-P energy: -59.874
bonds (distance) P-C4' energy: -56.722
flat angles C4'-P-C4' energy: -68.801
flat angles P-C4'-P energy: -51.044
tors. eta vs tors. theta energy: -53.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 459
Temperature: 1.300000
Total energy: -665.978552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -665.978552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -665.978552 (E_RNA)
where:
Base-Base interactions energy: -372.480
where: short stacking energy: -197.141
Base-Backbone interact. energy: 1.343
local terms energy: -294.841788
where:
bonds (distance) C4'-P energy: -61.706
bonds (distance) P-C4' energy: -66.084
flat angles C4'-P-C4' energy: -67.617
flat angles P-C4'-P energy: -50.141
tors. eta vs tors. theta energy: -49.294
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: 4
=====================================
Write number: 459
Temperature: 1.350000
Total energy: -504.257620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.257620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.257620 (E_RNA)
where:
Base-Base interactions energy: -285.234
where: short stacking energy: -140.468
Base-Backbone interact. energy: 1.000
local terms energy: -220.023092
where:
bonds (distance) C4'-P energy: -67.488
bonds (distance) P-C4' energy: -52.640
flat angles C4'-P-C4' energy: -64.863
flat angles P-C4'-P energy: -34.968
tors. eta vs tors. theta energy: -0.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 460
Temperature: 0.900000
Total energy: -1390.496111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1390.496111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1390.496111 (E_RNA)
where:
Base-Base interactions energy: -996.437
where: short stacking energy: -408.755
Base-Backbone interact. energy: 3.019
local terms energy: -397.078209
where:
bonds (distance) C4'-P energy: -68.069
bonds (distance) P-C4' energy: -77.853
flat angles C4'-P-C4' energy: -82.865
flat angles P-C4'-P energy: -58.325
tors. eta vs tors. theta energy: -109.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 460
Temperature: 0.950000
Total energy: -1338.057226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1338.057226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1338.057226 (E_RNA)
where:
Base-Base interactions energy: -936.750
where: short stacking energy: -392.217
Base-Backbone interact. energy: -1.181
local terms energy: -400.126263
where:
bonds (distance) C4'-P energy: -66.722
bonds (distance) P-C4' energy: -67.828
flat angles C4'-P-C4' energy: -90.380
flat angles P-C4'-P energy: -61.399
tors. eta vs tors. theta energy: -113.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 460
Temperature: 1.000000
Total energy: -1293.893497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1293.893497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1293.893497 (E_RNA)
where:
Base-Base interactions energy: -888.107
where: short stacking energy: -375.820
Base-Backbone interact. energy: -3.449
local terms energy: -402.337632
where:
bonds (distance) C4'-P energy: -70.800
bonds (distance) P-C4' energy: -82.882
flat angles C4'-P-C4' energy: -81.324
flat angles P-C4'-P energy: -48.245
tors. eta vs tors. theta energy: -119.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 460
Temperature: 1.050000
Total energy: -1271.645105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1271.645105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1271.645105 (E_RNA)
where:
Base-Base interactions energy: -865.241
where: short stacking energy: -371.024
Base-Backbone interact. energy: -1.203
local terms energy: -405.201528
where:
bonds (distance) C4'-P energy: -70.545
bonds (distance) P-C4' energy: -76.256
flat angles C4'-P-C4' energy: -86.233
flat angles P-C4'-P energy: -64.509
tors. eta vs tors. theta energy: -107.659
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: 5, replica: 2
=====================================
Write number: 460
Temperature: 1.100000
Total energy: -1123.512427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1123.512427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1123.512427 (E_RNA)
where:
Base-Base interactions energy: -772.703
where: short stacking energy: -321.579
Base-Backbone interact. energy: 0.754
local terms energy: -351.563662
where:
bonds (distance) C4'-P energy: -57.818
bonds (distance) P-C4' energy: -80.611
flat angles C4'-P-C4' energy: -81.498
flat angles P-C4'-P energy: -44.976
tors. eta vs tors. theta energy: -86.661
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: 7
=====================================
Write number: 460
Temperature: 1.150000
Total energy: -1150.062695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1150.062695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1150.062695 (E_RNA)
where:
Base-Base interactions energy: -793.421
where: short stacking energy: -349.515
Base-Backbone interact. energy: 1.419
local terms energy: -358.061345
where:
bonds (distance) C4'-P energy: -68.841
bonds (distance) P-C4' energy: -71.470
flat angles C4'-P-C4' energy: -68.192
flat angles P-C4'-P energy: -50.605
tors. eta vs tors. theta energy: -98.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 460
Temperature: 1.200000
Total energy: -1053.106126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1053.106126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1053.106126 (E_RNA)
where:
Base-Base interactions energy: -733.448
where: short stacking energy: -307.221
Base-Backbone interact. energy: 2.376
local terms energy: -322.033522
where:
bonds (distance) C4'-P energy: -63.764
bonds (distance) P-C4' energy: -56.286
flat angles C4'-P-C4' energy: -71.598
flat angles P-C4'-P energy: -52.119
tors. eta vs tors. theta energy: -78.266
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: 1
=====================================
Write number: 460
Temperature: 1.250000
Total energy: -839.314188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -839.314188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -839.314188 (E_RNA)
where:
Base-Base interactions energy: -524.976
where: short stacking energy: -245.925
Base-Backbone interact. energy: -1.345
local terms energy: -312.992541
where:
bonds (distance) C4'-P energy: -63.889
bonds (distance) P-C4' energy: -72.978
flat angles C4'-P-C4' energy: -74.314
flat angles P-C4'-P energy: -49.570
tors. eta vs tors. theta energy: -52.241
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: 10
=====================================
Write number: 460
Temperature: 1.300000
Total energy: -661.871564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -661.871564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -661.871564 (E_RNA)
where:
Base-Base interactions energy: -404.150
where: short stacking energy: -203.997
Base-Backbone interact. energy: -2.646
local terms energy: -255.075978
where:
bonds (distance) C4'-P energy: -51.813
bonds (distance) P-C4' energy: -64.569
flat angles C4'-P-C4' energy: -60.851
flat angles P-C4'-P energy: -34.868
tors. eta vs tors. theta energy: -42.975
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: 10, replica: 4
=====================================
Write number: 460
Temperature: 1.350000
Total energy: -497.391373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.391373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.391373 (E_RNA)
where:
Base-Base interactions energy: -283.004
where: short stacking energy: -134.711
Base-Backbone interact. energy: 0.167
local terms energy: -214.554191
where:
bonds (distance) C4'-P energy: -64.638
bonds (distance) P-C4' energy: -64.962
flat angles C4'-P-C4' energy: -54.755
flat angles P-C4'-P energy: -23.205
tors. eta vs tors. theta energy: -6.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 461
Temperature: 0.900000
Total energy: -1399.113144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1399.113144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1399.113144 (E_RNA)
where:
Base-Base interactions energy: -979.904
where: short stacking energy: -388.859
Base-Backbone interact. energy: -4.348
local terms energy: -414.861220
where:
bonds (distance) C4'-P energy: -78.348
bonds (distance) P-C4' energy: -83.763
flat angles C4'-P-C4' energy: -82.359
flat angles P-C4'-P energy: -65.140
tors. eta vs tors. theta energy: -105.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 461
Temperature: 0.950000
Total energy: -1359.392228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1359.392228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1359.392228 (E_RNA)
where:
Base-Base interactions energy: -963.802
where: short stacking energy: -398.227
Base-Backbone interact. energy: -1.530
local terms energy: -395.684397
where:
bonds (distance) C4'-P energy: -73.959
bonds (distance) P-C4' energy: -68.929
flat angles C4'-P-C4' energy: -86.408
flat angles P-C4'-P energy: -51.261
tors. eta vs tors. theta energy: -115.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.624 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 461
Temperature: 1.000000
Total energy: -1311.881237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1311.881237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1311.881237 (E_RNA)
where:
Base-Base interactions energy: -910.910
where: short stacking energy: -396.402
Base-Backbone interact. energy: -1.582
local terms energy: -399.389131
where:
bonds (distance) C4'-P energy: -64.927
bonds (distance) P-C4' energy: -80.959
flat angles C4'-P-C4' energy: -80.587
flat angles P-C4'-P energy: -49.454
tors. eta vs tors. theta energy: -123.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 461
Temperature: 1.050000
Total energy: -1267.559469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1267.559469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1267.559469 (E_RNA)
where:
Base-Base interactions energy: -881.609
where: short stacking energy: -365.542
Base-Backbone interact. energy: 2.036
local terms energy: -387.985935
where:
bonds (distance) C4'-P energy: -69.777
bonds (distance) P-C4' energy: -72.772
flat angles C4'-P-C4' energy: -87.119
flat angles P-C4'-P energy: -56.704
tors. eta vs tors. theta energy: -101.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 461
Temperature: 1.100000
Total energy: -1139.428550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1139.428550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1139.428550 (E_RNA)
where:
Base-Base interactions energy: -772.699
where: short stacking energy: -336.410
Base-Backbone interact. energy: -0.501
local terms energy: -366.228928
where:
bonds (distance) C4'-P energy: -58.715
bonds (distance) P-C4' energy: -77.009
flat angles C4'-P-C4' energy: -81.338
flat angles P-C4'-P energy: -42.615
tors. eta vs tors. theta energy: -106.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 461
Temperature: 1.150000
Total energy: -1137.152696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1137.152696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1137.152696 (E_RNA)
where:
Base-Base interactions energy: -776.951
where: short stacking energy: -349.264
Base-Backbone interact. energy: -1.149
local terms energy: -359.051830
where:
bonds (distance) C4'-P energy: -66.582
bonds (distance) P-C4' energy: -74.828
flat angles C4'-P-C4' energy: -70.525
flat angles P-C4'-P energy: -45.582
tors. eta vs tors. theta energy: -101.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 461
Temperature: 1.200000
Total energy: -1066.411143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1066.411143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1066.411143 (E_RNA)
where:
Base-Base interactions energy: -732.540
where: short stacking energy: -286.861
Base-Backbone interact. energy: -0.841
local terms energy: -333.029976
where:
bonds (distance) C4'-P energy: -56.382
bonds (distance) P-C4' energy: -74.149
flat angles C4'-P-C4' energy: -72.995
flat angles P-C4'-P energy: -51.260
tors. eta vs tors. theta energy: -78.245
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: 1
=====================================
Write number: 461
Temperature: 1.250000
Total energy: -877.773482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -877.773482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -877.773482 (E_RNA)
where:
Base-Base interactions energy: -596.254
where: short stacking energy: -245.400
Base-Backbone interact. energy: 1.635
local terms energy: -284.344883
where:
bonds (distance) C4'-P energy: -62.274
bonds (distance) P-C4' energy: -61.378
flat angles C4'-P-C4' energy: -65.590
flat angles P-C4'-P energy: -40.962
tors. eta vs tors. theta energy: -54.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.190 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 461
Temperature: 1.300000
Total energy: -606.374410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -606.374410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -606.374410 (E_RNA)
where:
Base-Base interactions energy: -381.684
where: short stacking energy: -149.366
Base-Backbone interact. energy: -2.035
local terms energy: -223.643903
where:
bonds (distance) C4'-P energy: -51.838
bonds (distance) P-C4' energy: -61.288
flat angles C4'-P-C4' energy: -57.779
flat angles P-C4'-P energy: -34.564
tors. eta vs tors. theta energy: -18.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.989 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 461
Temperature: 1.350000
Total energy: -474.522294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.522294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.522294 (E_RNA)
where:
Base-Base interactions energy: -270.554
where: short stacking energy: -156.748
Base-Backbone interact. energy: -1.946
local terms energy: -202.022631
where:
bonds (distance) C4'-P energy: -41.258
bonds (distance) P-C4' energy: -64.248
flat angles C4'-P-C4' energy: -51.867
flat angles P-C4'-P energy: -37.635
tors. eta vs tors. theta energy: -7.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 462
Temperature: 0.900000
Total energy: -1375.830579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1375.830579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1375.830579 (E_RNA)
where:
Base-Base interactions energy: -967.302
where: short stacking energy: -390.448
Base-Backbone interact. energy: -2.154
local terms energy: -406.374729
where:
bonds (distance) C4'-P energy: -80.152
bonds (distance) P-C4' energy: -79.233
flat angles C4'-P-C4' energy: -78.333
flat angles P-C4'-P energy: -60.901
tors. eta vs tors. theta energy: -107.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 462
Temperature: 0.950000
Total energy: -1385.025479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1385.025479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1385.025479 (E_RNA)
where:
Base-Base interactions energy: -965.445
where: short stacking energy: -409.606
Base-Backbone interact. energy: -2.623
local terms energy: -416.957639
where:
bonds (distance) C4'-P energy: -68.561
bonds (distance) P-C4' energy: -84.721
flat angles C4'-P-C4' energy: -86.097
flat angles P-C4'-P energy: -58.970
tors. eta vs tors. theta energy: -118.609
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: 3
=====================================
Write number: 462
Temperature: 1.000000
Total energy: -1314.075646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1314.075646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1314.075646 (E_RNA)
where:
Base-Base interactions energy: -895.335
where: short stacking energy: -386.849
Base-Backbone interact. energy: -2.529
local terms energy: -416.211848
where:
bonds (distance) C4'-P energy: -70.231
bonds (distance) P-C4' energy: -82.632
flat angles C4'-P-C4' energy: -89.642
flat angles P-C4'-P energy: -56.784
tors. eta vs tors. theta energy: -116.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 462
Temperature: 1.050000
Total energy: -1285.331495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1285.331495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1285.331495 (E_RNA)
where:
Base-Base interactions energy: -887.410
where: short stacking energy: -390.068
Base-Backbone interact. energy: -0.981
local terms energy: -396.940513
where:
bonds (distance) C4'-P energy: -50.275
bonds (distance) P-C4' energy: -74.820
flat angles C4'-P-C4' energy: -88.833
flat angles P-C4'-P energy: -63.170
tors. eta vs tors. theta energy: -119.842
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: 2
=====================================
Write number: 462
Temperature: 1.100000
Total energy: -1149.575374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1149.575374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1149.575374 (E_RNA)
where:
Base-Base interactions energy: -791.035
where: short stacking energy: -327.884
Base-Backbone interact. energy: -1.878
local terms energy: -356.661658
where:
bonds (distance) C4'-P energy: -68.939
bonds (distance) P-C4' energy: -64.665
flat angles C4'-P-C4' energy: -78.071
flat angles P-C4'-P energy: -52.430
tors. eta vs tors. theta energy: -92.557
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: 7
=====================================
Write number: 462
Temperature: 1.150000
Total energy: -1130.164174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1130.164174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1130.164174 (E_RNA)
where:
Base-Base interactions energy: -794.439
where: short stacking energy: -345.010
Base-Backbone interact. energy: -0.066
local terms energy: -335.658868
where:
bonds (distance) C4'-P energy: -64.060
bonds (distance) P-C4' energy: -64.142
flat angles C4'-P-C4' energy: -68.302
flat angles P-C4'-P energy: -47.455
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: 7, replica: 6
=====================================
Write number: 462
Temperature: 1.200000
Total energy: -1115.078614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1115.078614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1115.078614 (E_RNA)
where:
Base-Base interactions energy: -776.725
where: short stacking energy: -293.199
Base-Backbone interact. energy: 0.716
local terms energy: -339.069923
where:
bonds (distance) C4'-P energy: -71.300
bonds (distance) P-C4' energy: -69.715
flat angles C4'-P-C4' energy: -76.236
flat angles P-C4'-P energy: -43.888
tors. eta vs tors. theta energy: -77.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 462
Temperature: 1.250000
Total energy: -889.453985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -889.453985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -889.453985 (E_RNA)
where:
Base-Base interactions energy: -585.648
where: short stacking energy: -275.252
Base-Backbone interact. energy: 0.135
local terms energy: -303.940963
where:
bonds (distance) C4'-P energy: -60.362
bonds (distance) P-C4' energy: -68.237
flat angles C4'-P-C4' energy: -61.349
flat angles P-C4'-P energy: -41.889
tors. eta vs tors. theta energy: -72.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 462
Temperature: 1.300000
Total energy: -634.650787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -634.650787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -634.650787 (E_RNA)
where:
Base-Base interactions energy: -396.508
where: short stacking energy: -176.367
Base-Backbone interact. energy: 2.773
local terms energy: -240.915671
where:
bonds (distance) C4'-P energy: -61.261
bonds (distance) P-C4' energy: -59.922
flat angles C4'-P-C4' energy: -63.449
flat angles P-C4'-P energy: -29.731
tors. eta vs tors. theta energy: -26.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 462
Temperature: 1.350000
Total energy: -495.645574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.645574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.645574 (E_RNA)
where:
Base-Base interactions energy: -299.315
where: short stacking energy: -140.528
Base-Backbone interact. energy: -0.353
local terms energy: -195.977179
where:
bonds (distance) C4'-P energy: -53.820
bonds (distance) P-C4' energy: -58.219
flat angles C4'-P-C4' energy: -41.004
flat angles P-C4'-P energy: -37.638
tors. eta vs tors. theta energy: -5.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 463
Temperature: 0.900000
Total energy: -1392.920846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1392.920846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1392.920846 (E_RNA)
where:
Base-Base interactions energy: -977.779
where: short stacking energy: -405.434
Base-Backbone interact. energy: -3.845
local terms energy: -411.296808
where:
bonds (distance) C4'-P energy: -77.364
bonds (distance) P-C4' energy: -82.576
flat angles C4'-P-C4' energy: -82.081
flat angles P-C4'-P energy: -56.247
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: 2, replica: 5
=====================================
Write number: 463
Temperature: 0.950000
Total energy: -1347.775299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1347.775299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1347.775299 (E_RNA)
where:
Base-Base interactions energy: -956.481
where: short stacking energy: -391.882
Base-Backbone interact. energy: 1.150
local terms energy: -392.444580
where:
bonds (distance) C4'-P energy: -67.503
bonds (distance) P-C4' energy: -68.079
flat angles C4'-P-C4' energy: -82.780
flat angles P-C4'-P energy: -58.417
tors. eta vs tors. theta energy: -115.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 463
Temperature: 1.000000
Total energy: -1325.094998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1325.094998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1325.094998 (E_RNA)
where:
Base-Base interactions energy: -932.008
where: short stacking energy: -397.073
Base-Backbone interact. energy: -2.634
local terms energy: -390.452869
where:
bonds (distance) C4'-P energy: -67.787
bonds (distance) P-C4' energy: -72.055
flat angles C4'-P-C4' energy: -91.258
flat angles P-C4'-P energy: -47.505
tors. eta vs tors. theta energy: -111.848
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: 8
=====================================
Write number: 463
Temperature: 1.050000
Total energy: -1280.692880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1280.692880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1280.692880 (E_RNA)
where:
Base-Base interactions energy: -873.039
where: short stacking energy: -394.159
Base-Backbone interact. energy: -1.367
local terms energy: -406.286189
where:
bonds (distance) C4'-P energy: -81.746
bonds (distance) P-C4' energy: -67.450
flat angles C4'-P-C4' energy: -82.485
flat angles P-C4'-P energy: -53.834
tors. eta vs tors. theta energy: -120.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 463
Temperature: 1.100000
Total energy: -1126.679894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1126.679894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1126.679894 (E_RNA)
where:
Base-Base interactions energy: -776.072
where: short stacking energy: -324.138
Base-Backbone interact. energy: -2.400
local terms energy: -348.207871
where:
bonds (distance) C4'-P energy: -65.155
bonds (distance) P-C4' energy: -73.850
flat angles C4'-P-C4' energy: -68.787
flat angles P-C4'-P energy: -51.378
tors. eta vs tors. theta energy: -89.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 463
Temperature: 1.150000
Total energy: -1105.328928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1105.328928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1105.328928 (E_RNA)
where:
Base-Base interactions energy: -765.017
where: short stacking energy: -339.249
Base-Backbone interact. energy: -0.302
local terms energy: -340.010016
where:
bonds (distance) C4'-P energy: -60.428
bonds (distance) P-C4' energy: -66.303
flat angles C4'-P-C4' energy: -69.046
flat angles P-C4'-P energy: -51.719
tors. eta vs tors. theta energy: -92.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 463
Temperature: 1.200000
Total energy: -1109.426064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1109.426064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1109.426064 (E_RNA)
where:
Base-Base interactions energy: -763.058
where: short stacking energy: -302.840
Base-Backbone interact. energy: -0.154
local terms energy: -346.213625
where:
bonds (distance) C4'-P energy: -71.926
bonds (distance) P-C4' energy: -77.290
flat angles C4'-P-C4' energy: -65.752
flat angles P-C4'-P energy: -48.187
tors. eta vs tors. theta energy: -83.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 463
Temperature: 1.250000
Total energy: -852.622961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -852.622961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -852.622961 (E_RNA)
where:
Base-Base interactions energy: -577.921
where: short stacking energy: -264.743
Base-Backbone interact. energy: 0.401
local terms energy: -275.103590
where:
bonds (distance) C4'-P energy: -70.065
bonds (distance) P-C4' energy: -67.626
flat angles C4'-P-C4' energy: -47.280
flat angles P-C4'-P energy: -37.654
tors. eta vs tors. theta energy: -52.478
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: 10
=====================================
Write number: 463
Temperature: 1.300000
Total energy: -767.730654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -767.730654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -767.730654 (E_RNA)
where:
Base-Base interactions energy: -505.482
where: short stacking energy: -230.326
Base-Backbone interact. energy: -1.640
local terms energy: -261.679783
where:
bonds (distance) C4'-P energy: -53.044
bonds (distance) P-C4' energy: -52.290
flat angles C4'-P-C4' energy: -65.728
flat angles P-C4'-P energy: -39.827
tors. eta vs tors. theta energy: -50.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.071 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 463
Temperature: 1.350000
Total energy: -484.768092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.768092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.768092 (E_RNA)
where:
Base-Base interactions energy: -265.348
where: short stacking energy: -142.801
Base-Backbone interact. energy: 3.260
local terms energy: -222.679998
where:
bonds (distance) C4'-P energy: -58.208
bonds (distance) P-C4' energy: -68.923
flat angles C4'-P-C4' energy: -54.423
flat angles P-C4'-P energy: -34.772
tors. eta vs tors. theta energy: -6.354
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: 9
=====================================
Write number: 464
Temperature: 0.900000
Total energy: -1393.795062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1393.795062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1393.795062 (E_RNA)
where:
Base-Base interactions energy: -989.560
where: short stacking energy: -394.680
Base-Backbone interact. energy: -3.768
local terms energy: -400.467881
where:
bonds (distance) C4'-P energy: -70.236
bonds (distance) P-C4' energy: -70.272
flat angles C4'-P-C4' energy: -89.119
flat angles P-C4'-P energy: -56.733
tors. eta vs tors. theta energy: -114.107
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: 2, replica: 5
=====================================
Write number: 464
Temperature: 0.950000
Total energy: -1358.303693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1358.303693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1358.303693 (E_RNA)
where:
Base-Base interactions energy: -955.959
where: short stacking energy: -399.078
Base-Backbone interact. energy: 1.096
local terms energy: -403.440845
where:
bonds (distance) C4'-P energy: -77.224
bonds (distance) P-C4' energy: -63.655
flat angles C4'-P-C4' energy: -79.675
flat angles P-C4'-P energy: -66.659
tors. eta vs tors. theta energy: -116.227
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: 3
=====================================
Write number: 464
Temperature: 1.000000
Total energy: -1321.416525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1321.416525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1321.416525 (E_RNA)
where:
Base-Base interactions energy: -916.151
where: short stacking energy: -397.766
Base-Backbone interact. energy: -3.239
local terms energy: -402.026841
where:
bonds (distance) C4'-P energy: -67.021
bonds (distance) P-C4' energy: -74.879
flat angles C4'-P-C4' energy: -88.481
flat angles P-C4'-P energy: -55.711
tors. eta vs tors. theta energy: -115.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 464
Temperature: 1.050000
Total energy: -1291.857436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1291.857436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1291.857436 (E_RNA)
where:
Base-Base interactions energy: -887.531
where: short stacking energy: -406.688
Base-Backbone interact. energy: -3.307
local terms energy: -401.019351
where:
bonds (distance) C4'-P energy: -68.899
bonds (distance) P-C4' energy: -76.948
flat angles C4'-P-C4' energy: -79.661
flat angles P-C4'-P energy: -45.304
tors. eta vs tors. theta energy: -130.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 464
Temperature: 1.100000
Total energy: -1120.526961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1120.526961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1120.526961 (E_RNA)
where:
Base-Base interactions energy: -757.171
where: short stacking energy: -332.921
Base-Backbone interact. energy: -2.394
local terms energy: -360.962085
where:
bonds (distance) C4'-P energy: -71.421
bonds (distance) P-C4' energy: -58.072
flat angles C4'-P-C4' energy: -74.877
flat angles P-C4'-P energy: -56.515
tors. eta vs tors. theta energy: -100.078
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: 7
=====================================
Write number: 464
Temperature: 1.150000
Total energy: -1106.423118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1106.423118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1106.423118 (E_RNA)
where:
Base-Base interactions energy: -748.002
where: short stacking energy: -314.085
Base-Backbone interact. energy: -0.557
local terms energy: -357.864398
where:
bonds (distance) C4'-P energy: -66.678
bonds (distance) P-C4' energy: -75.692
flat angles C4'-P-C4' energy: -78.090
flat angles P-C4'-P energy: -48.635
tors. eta vs tors. theta energy: -88.770
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: 7, replica: 6
=====================================
Write number: 464
Temperature: 1.200000
Total energy: -1084.898752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1084.898752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1084.898752 (E_RNA)
where:
Base-Base interactions energy: -769.739
where: short stacking energy: -301.063
Base-Backbone interact. energy: -1.352
local terms energy: -313.807397
where:
bonds (distance) C4'-P energy: -66.853
bonds (distance) P-C4' energy: -57.899
flat angles C4'-P-C4' energy: -67.638
flat angles P-C4'-P energy: -48.792
tors. eta vs tors. theta energy: -72.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 464
Temperature: 1.250000
Total energy: -837.597908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -837.597908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -837.597908 (E_RNA)
where:
Base-Base interactions energy: -552.115
where: short stacking energy: -245.966
Base-Backbone interact. energy: -0.233
local terms energy: -285.249945
where:
bonds (distance) C4'-P energy: -59.593
bonds (distance) P-C4' energy: -69.848
flat angles C4'-P-C4' energy: -67.979
flat angles P-C4'-P energy: -33.852
tors. eta vs tors. theta energy: -53.979
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: 9, replica: 4
=====================================
Write number: 464
Temperature: 1.300000
Total energy: -499.125544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.125544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.125544 (E_RNA)
where:
Base-Base interactions energy: -278.795
where: short stacking energy: -147.418
Base-Backbone interact. energy: 1.229
local terms energy: -221.559625
where:
bonds (distance) C4'-P energy: -61.445
bonds (distance) P-C4' energy: -57.218
flat angles C4'-P-C4' energy: -59.518
flat angles P-C4'-P energy: -41.118
tors. eta vs tors. theta energy: -2.260
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: 10
=====================================
Write number: 464
Temperature: 1.350000
Total energy: -707.086840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -707.086840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -707.086840 (E_RNA)
where:
Base-Base interactions energy: -465.862
where: short stacking energy: -224.874
Base-Backbone interact. energy: 4.780
local terms energy: -246.004644
where:
bonds (distance) C4'-P energy: -54.468
bonds (distance) P-C4' energy: -70.122
flat angles C4'-P-C4' energy: -53.776
flat angles P-C4'-P energy: -35.650
tors. eta vs tors. theta energy: -31.988
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: 9
=====================================
Write number: 465
Temperature: 0.900000
Total energy: -1382.175180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1382.175180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1382.175180 (E_RNA)
where:
Base-Base interactions energy: -967.116
where: short stacking energy: -400.488
Base-Backbone interact. energy: -1.650
local terms energy: -413.409946
where:
bonds (distance) C4'-P energy: -78.248
bonds (distance) P-C4' energy: -73.759
flat angles C4'-P-C4' energy: -85.375
flat angles P-C4'-P energy: -64.425
tors. eta vs tors. theta energy: -111.602
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: 3
=====================================
Write number: 465
Temperature: 0.950000
Total energy: -1334.614776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1334.614776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1334.614776 (E_RNA)
where:
Base-Base interactions energy: -940.441
where: short stacking energy: -389.877
Base-Backbone interact. energy: -3.202
local terms energy: -390.971617
where:
bonds (distance) C4'-P energy: -76.680
bonds (distance) P-C4' energy: -76.967
flat angles C4'-P-C4' energy: -78.523
flat angles P-C4'-P energy: -54.306
tors. eta vs tors. theta energy: -104.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 465
Temperature: 1.000000
Total energy: -1315.639435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1315.639435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1315.639435 (E_RNA)
where:
Base-Base interactions energy: -925.236
where: short stacking energy: -397.110
Base-Backbone interact. energy: -1.354
local terms energy: -389.091038
where:
bonds (distance) C4'-P energy: -71.875
bonds (distance) P-C4' energy: -65.047
flat angles C4'-P-C4' energy: -83.952
flat angles P-C4'-P energy: -55.980
tors. eta vs tors. theta energy: -112.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.042 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 465
Temperature: 1.050000
Total energy: -1290.442620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1290.442620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1290.442620 (E_RNA)
where:
Base-Base interactions energy: -897.808
where: short stacking energy: -386.724
Base-Backbone interact. energy: -2.360
local terms energy: -390.274184
where:
bonds (distance) C4'-P energy: -55.199
bonds (distance) P-C4' energy: -75.690
flat angles C4'-P-C4' energy: -82.709
flat angles P-C4'-P energy: -57.525
tors. eta vs tors. theta energy: -119.151
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: 2
=====================================
Write number: 465
Temperature: 1.100000
Total energy: -1110.242659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1110.242659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1110.242659 (E_RNA)
where:
Base-Base interactions energy: -759.760
where: short stacking energy: -335.123
Base-Backbone interact. energy: 0.507
local terms energy: -350.989923
where:
bonds (distance) C4'-P energy: -55.204
bonds (distance) P-C4' energy: -78.707
flat angles C4'-P-C4' energy: -76.053
flat angles P-C4'-P energy: -50.695
tors. eta vs tors. theta energy: -90.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 465
Temperature: 1.150000
Total energy: -1121.041868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1121.041868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1121.041868 (E_RNA)
where:
Base-Base interactions energy: -802.586
where: short stacking energy: -299.294
Base-Backbone interact. energy: -1.640
local terms energy: -316.816075
where:
bonds (distance) C4'-P energy: -59.310
bonds (distance) P-C4' energy: -68.636
flat angles C4'-P-C4' energy: -64.451
flat angles P-C4'-P energy: -45.871
tors. eta vs tors. theta energy: -78.548
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: 7
=====================================
Write number: 465
Temperature: 1.200000
Total energy: -1099.022107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1099.022107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1099.022107 (E_RNA)
where:
Base-Base interactions energy: -738.175
where: short stacking energy: -306.821
Base-Backbone interact. energy: -1.275
local terms energy: -359.572227
where:
bonds (distance) C4'-P energy: -65.132
bonds (distance) P-C4' energy: -67.026
flat angles C4'-P-C4' energy: -80.793
flat angles P-C4'-P energy: -53.265
tors. eta vs tors. theta energy: -93.356
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: 1
=====================================
Write number: 465
Temperature: 1.250000
Total energy: -856.815554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -856.815554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -856.815554 (E_RNA)
where:
Base-Base interactions energy: -556.260
where: short stacking energy: -241.209
Base-Backbone interact. energy: 0.228
local terms energy: -300.784218
where:
bonds (distance) C4'-P energy: -71.209
bonds (distance) P-C4' energy: -69.668
flat angles C4'-P-C4' energy: -60.550
flat angles P-C4'-P energy: -39.472
tors. eta vs tors. theta energy: -59.885
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: 4
=====================================
Write number: 465
Temperature: 1.300000
Total energy: -503.084391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.084391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.084391 (E_RNA)
where:
Base-Base interactions energy: -284.625
where: short stacking energy: -148.629
Base-Backbone interact. energy: -2.284
local terms energy: -216.175449
where:
bonds (distance) C4'-P energy: -55.810
bonds (distance) P-C4' energy: -69.666
flat angles C4'-P-C4' energy: -57.090
flat angles P-C4'-P energy: -21.710
tors. eta vs tors. theta energy: -11.899
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: 10, replica: 10
=====================================
Write number: 465
Temperature: 1.350000
Total energy: -732.573632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -732.573632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -732.573632 (E_RNA)
where:
Base-Base interactions energy: -465.433
where: short stacking energy: -199.952
Base-Backbone interact. energy: 1.618
local terms energy: -268.757832
where:
bonds (distance) C4'-P energy: -64.030
bonds (distance) P-C4' energy: -66.118
flat angles C4'-P-C4' energy: -54.293
flat angles P-C4'-P energy: -43.220
tors. eta vs tors. theta energy: -41.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 466
Temperature: 0.900000
Total energy: -1376.091580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1376.091580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1376.091580 (E_RNA)
where:
Base-Base interactions energy: -979.401
where: short stacking energy: -393.874
Base-Backbone interact. energy: -1.309
local terms energy: -395.381322
where:
bonds (distance) C4'-P energy: -74.749
bonds (distance) P-C4' energy: -86.517
flat angles C4'-P-C4' energy: -71.442
flat angles P-C4'-P energy: -54.239
tors. eta vs tors. theta energy: -108.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 466
Temperature: 0.950000
Total energy: -1319.029228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1319.029228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1319.029228 (E_RNA)
where:
Base-Base interactions energy: -918.364
where: short stacking energy: -390.523
Base-Backbone interact. energy: -3.655
local terms energy: -397.010182
where:
bonds (distance) C4'-P energy: -68.847
bonds (distance) P-C4' energy: -81.175
flat angles C4'-P-C4' energy: -84.800
flat angles P-C4'-P energy: -49.757
tors. eta vs tors. theta energy: -112.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 466
Temperature: 1.000000
Total energy: -1262.751798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1262.751798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1262.751798 (E_RNA)
where:
Base-Base interactions energy: -897.202
where: short stacking energy: -382.545
Base-Backbone interact. energy: -2.491
local terms energy: -363.058862
where:
bonds (distance) C4'-P energy: -53.295
bonds (distance) P-C4' energy: -71.532
flat angles C4'-P-C4' energy: -78.751
flat angles P-C4'-P energy: -52.482
tors. eta vs tors. theta energy: -106.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 466
Temperature: 1.050000
Total energy: -1308.306827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1308.306827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1308.306827 (E_RNA)
where:
Base-Base interactions energy: -901.277
where: short stacking energy: -404.229
Base-Backbone interact. energy: -1.051
local terms energy: -405.979697
where:
bonds (distance) C4'-P energy: -81.603
bonds (distance) P-C4' energy: -57.912
flat angles C4'-P-C4' energy: -84.839
flat angles P-C4'-P energy: -61.052
tors. eta vs tors. theta energy: -120.574
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: 6
=====================================
Write number: 466
Temperature: 1.100000
Total energy: -1176.851322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1176.851322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1176.851322 (E_RNA)
where:
Base-Base interactions energy: -828.315
where: short stacking energy: -331.744
Base-Backbone interact. energy: 0.423
local terms energy: -348.959213
where:
bonds (distance) C4'-P energy: -64.268
bonds (distance) P-C4' energy: -72.469
flat angles C4'-P-C4' energy: -69.746
flat angles P-C4'-P energy: -49.942
tors. eta vs tors. theta energy: -92.534
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: 2
=====================================
Write number: 466
Temperature: 1.150000
Total energy: -1113.730148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1113.730148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1113.730148 (E_RNA)
where:
Base-Base interactions energy: -767.473
where: short stacking energy: -345.189
Base-Backbone interact. energy: 0.148
local terms energy: -346.405217
where:
bonds (distance) C4'-P energy: -64.435
bonds (distance) P-C4' energy: -69.094
flat angles C4'-P-C4' energy: -74.110
flat angles P-C4'-P energy: -48.205
tors. eta vs tors. theta energy: -90.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 466
Temperature: 1.200000
Total energy: -1080.197051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1080.197051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1080.197051 (E_RNA)
where:
Base-Base interactions energy: -739.940
where: short stacking energy: -311.557
Base-Backbone interact. energy: -0.612
local terms energy: -341.610959
where:
bonds (distance) C4'-P energy: -68.245
bonds (distance) P-C4' energy: -70.299
flat angles C4'-P-C4' energy: -74.636
flat angles P-C4'-P energy: -43.105
tors. eta vs tors. theta energy: -85.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.966 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 466
Temperature: 1.250000
Total energy: -864.411669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -864.411669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -864.411669 (E_RNA)
where:
Base-Base interactions energy: -555.935
where: short stacking energy: -251.270
Base-Backbone interact. energy: 1.021
local terms energy: -309.497594
where:
bonds (distance) C4'-P energy: -66.274
bonds (distance) P-C4' energy: -74.273
flat angles C4'-P-C4' energy: -76.754
flat angles P-C4'-P energy: -41.281
tors. eta vs tors. theta energy: -50.915
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: 10
=====================================
Write number: 466
Temperature: 1.300000
Total energy: -721.555269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -721.555269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -721.555269 (E_RNA)
where:
Base-Base interactions energy: -459.430
where: short stacking energy: -201.295
Base-Backbone interact. energy: 0.205
local terms energy: -262.330190
where:
bonds (distance) C4'-P energy: -64.182
bonds (distance) P-C4' energy: -53.045
flat angles C4'-P-C4' energy: -71.349
flat angles P-C4'-P energy: -37.263
tors. eta vs tors. theta energy: -36.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 466
Temperature: 1.350000
Total energy: -489.282096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.282096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.282096 (E_RNA)
where:
Base-Base interactions energy: -277.331
where: short stacking energy: -161.602
Base-Backbone interact. energy: 3.725
local terms energy: -215.675305
where:
bonds (distance) C4'-P energy: -49.770
bonds (distance) P-C4' energy: -55.484
flat angles C4'-P-C4' energy: -51.195
flat angles P-C4'-P energy: -37.540
tors. eta vs tors. theta energy: -21.686
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: 9
=====================================
Write number: 467
Temperature: 0.900000
Total energy: -1368.104349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1368.104349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1368.104349 (E_RNA)
where:
Base-Base interactions energy: -965.335
where: short stacking energy: -402.428
Base-Backbone interact. energy: -3.881
local terms energy: -398.889024
where:
bonds (distance) C4'-P energy: -70.179
bonds (distance) P-C4' energy: -64.208
flat angles C4'-P-C4' energy: -88.389
flat angles P-C4'-P energy: -61.814
tors. eta vs tors. theta energy: -114.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 467
Temperature: 0.950000
Total energy: -1334.576791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1334.576791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1334.576791 (E_RNA)
where:
Base-Base interactions energy: -913.170
where: short stacking energy: -410.575
Base-Backbone interact. energy: -1.842
local terms energy: -419.564933
where:
bonds (distance) C4'-P energy: -79.378
bonds (distance) P-C4' energy: -77.133
flat angles C4'-P-C4' energy: -86.803
flat angles P-C4'-P energy: -64.915
tors. eta vs tors. theta energy: -111.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 467
Temperature: 1.000000
Total energy: -1278.297283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1278.297283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1278.297283 (E_RNA)
where:
Base-Base interactions energy: -878.239
where: short stacking energy: -363.234
Base-Backbone interact. energy: -2.309
local terms energy: -397.748392
where:
bonds (distance) C4'-P energy: -81.836
bonds (distance) P-C4' energy: -77.718
flat angles C4'-P-C4' energy: -85.552
flat angles P-C4'-P energy: -49.708
tors. eta vs tors. theta energy: -102.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 467
Temperature: 1.050000
Total energy: -1279.927151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1279.927151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1279.927151 (E_RNA)
where:
Base-Base interactions energy: -888.674
where: short stacking energy: -394.851
Base-Backbone interact. energy: -2.573
local terms energy: -388.679462
where:
bonds (distance) C4'-P energy: -72.137
bonds (distance) P-C4' energy: -64.216
flat angles C4'-P-C4' energy: -85.645
flat angles P-C4'-P energy: -49.500
tors. eta vs tors. theta energy: -117.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 467
Temperature: 1.100000
Total energy: -1178.030452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1178.030452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1178.030452 (E_RNA)
where:
Base-Base interactions energy: -844.595
where: short stacking energy: -310.738
Base-Backbone interact. energy: -0.658
local terms energy: -332.776920
where:
bonds (distance) C4'-P energy: -66.927
bonds (distance) P-C4' energy: -78.443
flat angles C4'-P-C4' energy: -59.368
flat angles P-C4'-P energy: -51.443
tors. eta vs tors. theta energy: -76.596
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: 7
=====================================
Write number: 467
Temperature: 1.150000
Total energy: -1109.258951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1109.258951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1109.258951 (E_RNA)
where:
Base-Base interactions energy: -780.326
where: short stacking energy: -314.590
Base-Backbone interact. energy: 2.329
local terms energy: -331.262439
where:
bonds (distance) C4'-P energy: -62.330
bonds (distance) P-C4' energy: -64.111
flat angles C4'-P-C4' energy: -72.087
flat angles P-C4'-P energy: -45.749
tors. eta vs tors. theta energy: -86.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 467
Temperature: 1.200000
Total energy: -1078.314176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1078.314176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1078.314176 (E_RNA)
where:
Base-Base interactions energy: -734.631
where: short stacking energy: -300.266
Base-Backbone interact. energy: 5.500
local terms energy: -349.183443
where:
bonds (distance) C4'-P energy: -69.658
bonds (distance) P-C4' energy: -75.936
flat angles C4'-P-C4' energy: -71.741
flat angles P-C4'-P energy: -45.640
tors. eta vs tors. theta energy: -86.207
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: 1
=====================================
Write number: 467
Temperature: 1.250000
Total energy: -878.095074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -878.095074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -878.095074 (E_RNA)
where:
Base-Base interactions energy: -579.878
where: short stacking energy: -257.784
Base-Backbone interact. energy: -0.425
local terms energy: -297.792046
where:
bonds (distance) C4'-P energy: -61.010
bonds (distance) P-C4' energy: -79.537
flat angles C4'-P-C4' energy: -70.773
flat angles P-C4'-P energy: -32.519
tors. eta vs tors. theta energy: -53.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 467
Temperature: 1.300000
Total energy: -735.439688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -735.439688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -735.439688 (E_RNA)
where:
Base-Base interactions energy: -476.527
where: short stacking energy: -228.145
Base-Backbone interact. energy: 0.609
local terms energy: -259.521120
where:
bonds (distance) C4'-P energy: -63.331
bonds (distance) P-C4' energy: -68.127
flat angles C4'-P-C4' energy: -55.515
flat angles P-C4'-P energy: -31.997
tors. eta vs tors. theta energy: -40.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 467
Temperature: 1.350000
Total energy: -470.165903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.165903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.165903 (E_RNA)
where:
Base-Base interactions energy: -245.277
where: short stacking energy: -127.623
Base-Backbone interact. energy: 0.074
local terms energy: -224.963721
where:
bonds (distance) C4'-P energy: -64.577
bonds (distance) P-C4' energy: -70.788
flat angles C4'-P-C4' energy: -49.323
flat angles P-C4'-P energy: -34.277
tors. eta vs tors. theta energy: -5.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 468
Temperature: 0.900000
Total energy: -1371.151342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1371.151342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1371.151342 (E_RNA)
where:
Base-Base interactions energy: -971.159
where: short stacking energy: -402.826
Base-Backbone interact. energy: -2.159
local terms energy: -397.833805
where:
bonds (distance) C4'-P energy: -78.862
bonds (distance) P-C4' energy: -71.557
flat angles C4'-P-C4' energy: -86.708
flat angles P-C4'-P energy: -57.874
tors. eta vs tors. theta energy: -102.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 468
Temperature: 0.950000
Total energy: -1338.235958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1338.235958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1338.235958 (E_RNA)
where:
Base-Base interactions energy: -925.995
where: short stacking energy: -403.736
Base-Backbone interact. energy: -1.677
local terms energy: -410.564150
where:
bonds (distance) C4'-P energy: -80.673
bonds (distance) P-C4' energy: -72.547
flat angles C4'-P-C4' energy: -84.574
flat angles P-C4'-P energy: -58.333
tors. eta vs tors. theta energy: -114.438
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: 3, replica: 8
=====================================
Write number: 468
Temperature: 1.000000
Total energy: -1291.156061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1291.156061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1291.156061 (E_RNA)
where:
Base-Base interactions energy: -903.619
where: short stacking energy: -394.089
Base-Backbone interact. energy: -1.779
local terms energy: -385.757897
where:
bonds (distance) C4'-P energy: -61.387
bonds (distance) P-C4' energy: -80.708
flat angles C4'-P-C4' energy: -81.747
flat angles P-C4'-P energy: -52.624
tors. eta vs tors. theta energy: -109.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 468
Temperature: 1.050000
Total energy: -1234.539843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1234.539843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1234.539843 (E_RNA)
where:
Base-Base interactions energy: -873.284
where: short stacking energy: -361.921
Base-Backbone interact. energy: -1.301
local terms energy: -359.954780
where:
bonds (distance) C4'-P energy: -56.817
bonds (distance) P-C4' energy: -83.041
flat angles C4'-P-C4' energy: -66.107
flat angles P-C4'-P energy: -53.443
tors. eta vs tors. theta energy: -100.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 468
Temperature: 1.100000
Total energy: -1183.975786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1183.975786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1183.975786 (E_RNA)
where:
Base-Base interactions energy: -844.775
where: short stacking energy: -322.813
Base-Backbone interact. energy: 3.775
local terms energy: -342.975714
where:
bonds (distance) C4'-P energy: -72.545
bonds (distance) P-C4' energy: -69.215
flat angles C4'-P-C4' energy: -70.552
flat angles P-C4'-P energy: -47.431
tors. eta vs tors. theta energy: -83.233
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: 7
=====================================
Write number: 468
Temperature: 1.150000
Total energy: -1121.952086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1121.952086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1121.952086 (E_RNA)
where:
Base-Base interactions energy: -762.961
where: short stacking energy: -316.080
Base-Backbone interact. energy: -0.999
local terms energy: -357.992246
where:
bonds (distance) C4'-P energy: -64.790
bonds (distance) P-C4' energy: -70.902
flat angles C4'-P-C4' energy: -76.022
flat angles P-C4'-P energy: -54.998
tors. eta vs tors. theta energy: -91.281
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: 468
Temperature: 1.200000
Total energy: -1052.785137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1052.785137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1052.785137 (E_RNA)
where:
Base-Base interactions energy: -702.970
where: short stacking energy: -310.065
Base-Backbone interact. energy: 0.347
local terms energy: -350.162304
where:
bonds (distance) C4'-P energy: -62.143
bonds (distance) P-C4' energy: -76.025
flat angles C4'-P-C4' energy: -73.598
flat angles P-C4'-P energy: -48.863
tors. eta vs tors. theta energy: -89.533
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: 1
=====================================
Write number: 468
Temperature: 1.250000
Total energy: -866.928514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -866.928514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -866.928514 (E_RNA)
where:
Base-Base interactions energy: -584.519
where: short stacking energy: -259.865
Base-Backbone interact. energy: -0.678
local terms energy: -281.731473
where:
bonds (distance) C4'-P energy: -57.365
bonds (distance) P-C4' energy: -55.263
flat angles C4'-P-C4' energy: -66.720
flat angles P-C4'-P energy: -40.527
tors. eta vs tors. theta energy: -61.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 468
Temperature: 1.300000
Total energy: -713.580393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -713.580393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -713.580393 (E_RNA)
where:
Base-Base interactions energy: -435.829
where: short stacking energy: -210.700
Base-Backbone interact. energy: -2.081
local terms energy: -275.670621
where:
bonds (distance) C4'-P energy: -67.162
bonds (distance) P-C4' energy: -69.450
flat angles C4'-P-C4' energy: -65.896
flat angles P-C4'-P energy: -38.420
tors. eta vs tors. theta energy: -34.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 468
Temperature: 1.350000
Total energy: -478.993522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.993522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.993522 (E_RNA)
where:
Base-Base interactions energy: -254.842
where: short stacking energy: -129.174
Base-Backbone interact. energy: -1.537
local terms energy: -222.615427
where:
bonds (distance) C4'-P energy: -58.712
bonds (distance) P-C4' energy: -62.230
flat angles C4'-P-C4' energy: -64.452
flat angles P-C4'-P energy: -27.376
tors. eta vs tors. theta energy: -9.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 469
Temperature: 0.900000
Total energy: -1380.472727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1380.472727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1380.472727 (E_RNA)
where:
Base-Base interactions energy: -972.365
where: short stacking energy: -393.367
Base-Backbone interact. energy: -0.905
local terms energy: -407.202534
where:
bonds (distance) C4'-P energy: -77.534
bonds (distance) P-C4' energy: -76.666
flat angles C4'-P-C4' energy: -87.518
flat angles P-C4'-P energy: -56.644
tors. eta vs tors. theta energy: -108.840
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: 2, replica: 3
=====================================
Write number: 469
Temperature: 0.950000
Total energy: -1337.048341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1337.048341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1337.048341 (E_RNA)
where:
Base-Base interactions energy: -925.811
where: short stacking energy: -393.879
Base-Backbone interact. energy: 1.187
local terms energy: -412.424498
where:
bonds (distance) C4'-P energy: -66.739
bonds (distance) P-C4' energy: -79.173
flat angles C4'-P-C4' energy: -88.214
flat angles P-C4'-P energy: -67.352
tors. eta vs tors. theta energy: -110.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 469
Temperature: 1.000000
Total energy: -1341.303533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1341.303533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1341.303533 (E_RNA)
where:
Base-Base interactions energy: -929.453
where: short stacking energy: -406.869
Base-Backbone interact. energy: -2.059
local terms energy: -409.791056
where:
bonds (distance) C4'-P energy: -68.864
bonds (distance) P-C4' energy: -78.908
flat angles C4'-P-C4' energy: -85.281
flat angles P-C4'-P energy: -52.094
tors. eta vs tors. theta energy: -124.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 469
Temperature: 1.050000
Total energy: -1190.225491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1190.225491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1190.225491 (E_RNA)
where:
Base-Base interactions energy: -807.366
where: short stacking energy: -342.995
Base-Backbone interact. energy: 0.047
local terms energy: -382.906330
where:
bonds (distance) C4'-P energy: -75.095
bonds (distance) P-C4' energy: -73.633
flat angles C4'-P-C4' energy: -84.773
flat angles P-C4'-P energy: -57.496
tors. eta vs tors. theta energy: -91.910
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: 5, replica: 6
=====================================
Write number: 469
Temperature: 1.100000
Total energy: -1190.220898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1190.220898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1190.220898 (E_RNA)
where:
Base-Base interactions energy: -859.724
where: short stacking energy: -319.784
Base-Backbone interact. energy: -2.101
local terms energy: -328.396653
where:
bonds (distance) C4'-P energy: -64.340
bonds (distance) P-C4' energy: -57.475
flat angles C4'-P-C4' energy: -79.237
flat angles P-C4'-P energy: -50.736
tors. eta vs tors. theta energy: -76.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 469
Temperature: 1.150000
Total energy: -1096.710837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1096.710837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1096.710837 (E_RNA)
where:
Base-Base interactions energy: -746.583
where: short stacking energy: -323.136
Base-Backbone interact. energy: -1.891
local terms energy: -348.237145
where:
bonds (distance) C4'-P energy: -65.847
bonds (distance) P-C4' energy: -61.949
flat angles C4'-P-C4' energy: -79.960
flat angles P-C4'-P energy: -50.703
tors. eta vs tors. theta energy: -89.780
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: 7, replica: 2
=====================================
Write number: 469
Temperature: 1.200000
Total energy: -1015.649920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1015.649920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1015.649920 (E_RNA)
where:
Base-Base interactions energy: -679.886
where: short stacking energy: -290.532
Base-Backbone interact. energy: -1.986
local terms energy: -333.777572
where:
bonds (distance) C4'-P energy: -53.410
bonds (distance) P-C4' energy: -60.747
flat angles C4'-P-C4' energy: -83.503
flat angles P-C4'-P energy: -54.773
tors. eta vs tors. theta energy: -81.344
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: 1
=====================================
Write number: 469
Temperature: 1.250000
Total energy: -886.206777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -886.206777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -886.206777 (E_RNA)
where:
Base-Base interactions energy: -583.839
where: short stacking energy: -248.721
Base-Backbone interact. energy: 0.181
local terms energy: -302.548803
where:
bonds (distance) C4'-P energy: -61.508
bonds (distance) P-C4' energy: -66.962
flat angles C4'-P-C4' energy: -66.411
flat angles P-C4'-P energy: -42.329
tors. eta vs tors. theta energy: -65.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 469
Temperature: 1.300000
Total energy: -717.537627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -717.537627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -717.537627 (E_RNA)
where:
Base-Base interactions energy: -432.637
where: short stacking energy: -222.090
Base-Backbone interact. energy: -2.671
local terms energy: -282.386633
where:
bonds (distance) C4'-P energy: -65.454
bonds (distance) P-C4' energy: -68.390
flat angles C4'-P-C4' energy: -61.350
flat angles P-C4'-P energy: -39.653
tors. eta vs tors. theta energy: -47.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.157 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 469
Temperature: 1.350000
Total energy: -526.106925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.106925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.106925 (E_RNA)
where:
Base-Base interactions energy: -291.755
where: short stacking energy: -148.987
Base-Backbone interact. energy: -1.625
local terms energy: -232.727300
where:
bonds (distance) C4'-P energy: -64.672
bonds (distance) P-C4' energy: -64.031
flat angles C4'-P-C4' energy: -63.539
flat angles P-C4'-P energy: -32.396
tors. eta vs tors. theta energy: -8.089
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: 1, replica: 9
=====================================
Write number: 470
Temperature: 0.900000
Total energy: -1384.571926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1384.571926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1384.571926 (E_RNA)
where:
Base-Base interactions energy: -990.663
where: short stacking energy: -398.748
Base-Backbone interact. energy: 0.759
local terms energy: -394.668089
where:
bonds (distance) C4'-P energy: -77.454
bonds (distance) P-C4' energy: -73.744
flat angles C4'-P-C4' energy: -78.255
flat angles P-C4'-P energy: -60.003
tors. eta vs tors. theta energy: -105.212
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: 3
=====================================
Write number: 470
Temperature: 0.950000
Total energy: -1348.015111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1348.015111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1348.015111 (E_RNA)
where:
Base-Base interactions energy: -951.409
where: short stacking energy: -405.051
Base-Backbone interact. energy: -0.115
local terms energy: -396.491485
where:
bonds (distance) C4'-P energy: -64.237
bonds (distance) P-C4' energy: -76.793
flat angles C4'-P-C4' energy: -87.898
flat angles P-C4'-P energy: -54.429
tors. eta vs tors. theta energy: -113.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 470
Temperature: 1.000000
Total energy: -1316.463108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1316.463108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1316.463108 (E_RNA)
where:
Base-Base interactions energy: -905.293
where: short stacking energy: -406.885
Base-Backbone interact. energy: -1.204
local terms energy: -409.966140
where:
bonds (distance) C4'-P energy: -73.295
bonds (distance) P-C4' energy: -72.931
flat angles C4'-P-C4' energy: -85.421
flat angles P-C4'-P energy: -57.181
tors. eta vs tors. theta energy: -121.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 470
Temperature: 1.050000
Total energy: -1191.088478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1191.088478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1191.088478 (E_RNA)
where:
Base-Base interactions energy: -834.465
where: short stacking energy: -351.784
Base-Backbone interact. energy: -0.719
local terms energy: -355.903885
where:
bonds (distance) C4'-P energy: -65.382
bonds (distance) P-C4' energy: -70.513
flat angles C4'-P-C4' energy: -73.044
flat angles P-C4'-P energy: -43.242
tors. eta vs tors. theta energy: -103.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 470
Temperature: 1.100000
Total energy: -1197.060805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1197.060805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1197.060805 (E_RNA)
where:
Base-Base interactions energy: -862.109
where: short stacking energy: -330.572
Base-Backbone interact. energy: -2.214
local terms energy: -332.737415
where:
bonds (distance) C4'-P energy: -59.186
bonds (distance) P-C4' energy: -60.540
flat angles C4'-P-C4' energy: -74.684
flat angles P-C4'-P energy: -44.589
tors. eta vs tors. theta energy: -93.740
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: 7
=====================================
Write number: 470
Temperature: 1.150000
Total energy: -1081.919879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1081.919879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1081.919879 (E_RNA)
where:
Base-Base interactions energy: -738.328
where: short stacking energy: -296.858
Base-Backbone interact. energy: 0.283
local terms energy: -343.875035
where:
bonds (distance) C4'-P energy: -70.285
bonds (distance) P-C4' energy: -66.886
flat angles C4'-P-C4' energy: -74.250
flat angles P-C4'-P energy: -55.320
tors. eta vs tors. theta energy: -77.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 470
Temperature: 1.200000
Total energy: -1080.524231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1080.524231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1080.524231 (E_RNA)
where:
Base-Base interactions energy: -743.251
where: short stacking energy: -337.142
Base-Backbone interact. energy: 4.892
local terms energy: -342.164758
where:
bonds (distance) C4'-P energy: -70.274
bonds (distance) P-C4' energy: -60.750
flat angles C4'-P-C4' energy: -73.907
flat angles P-C4'-P energy: -48.729
tors. eta vs tors. theta energy: -88.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 470
Temperature: 1.250000
Total energy: -847.331986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -847.331986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -847.331986 (E_RNA)
where:
Base-Base interactions energy: -559.902
where: short stacking energy: -234.320
Base-Backbone interact. energy: 1.485
local terms energy: -288.915101
where:
bonds (distance) C4'-P energy: -62.156
bonds (distance) P-C4' energy: -66.179
flat angles C4'-P-C4' energy: -72.498
flat angles P-C4'-P energy: -36.197
tors. eta vs tors. theta energy: -51.885
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: 10
=====================================
Write number: 470
Temperature: 1.300000
Total energy: -701.934559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -701.934559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -701.934559 (E_RNA)
where:
Base-Base interactions energy: -442.560
where: short stacking energy: -204.540
Base-Backbone interact. energy: -2.364
local terms energy: -258.304048
where:
bonds (distance) C4'-P energy: -50.551
bonds (distance) P-C4' energy: -71.375
flat angles C4'-P-C4' energy: -66.898
flat angles P-C4'-P energy: -42.775
tors. eta vs tors. theta energy: -26.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.294 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 470
Temperature: 1.350000
Total energy: -504.877608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.877608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.877608 (E_RNA)
where:
Base-Base interactions energy: -281.046
where: short stacking energy: -153.055
Base-Backbone interact. energy: 3.448
local terms energy: -227.279038
where:
bonds (distance) C4'-P energy: -64.081
bonds (distance) P-C4' energy: -56.351
flat angles C4'-P-C4' energy: -59.475
flat angles P-C4'-P energy: -37.026
tors. eta vs tors. theta energy: -10.346
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: 9
=====================================
Write number: 471
Temperature: 0.900000
Total energy: -1366.125576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1366.125576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1366.125576 (E_RNA)
where:
Base-Base interactions energy: -969.282
where: short stacking energy: -370.585
Base-Backbone interact. energy: -1.047
local terms energy: -395.797244
where:
bonds (distance) C4'-P energy: -70.154
bonds (distance) P-C4' energy: -75.139
flat angles C4'-P-C4' energy: -81.284
flat angles P-C4'-P energy: -63.595
tors. eta vs tors. theta energy: -105.626
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: 3
=====================================
Write number: 471
Temperature: 0.950000
Total energy: -1351.416953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1351.416953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1351.416953 (E_RNA)
where:
Base-Base interactions energy: -929.751
where: short stacking energy: -399.759
Base-Backbone interact. energy: -1.540
local terms energy: -420.125627
where:
bonds (distance) C4'-P energy: -73.890
bonds (distance) P-C4' energy: -77.557
flat angles C4'-P-C4' energy: -91.790
flat angles P-C4'-P energy: -62.619
tors. eta vs tors. theta energy: -114.270
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: 8
=====================================
Write number: 471
Temperature: 1.000000
Total energy: -1326.753414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1326.753414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1326.753414 (E_RNA)
where:
Base-Base interactions energy: -925.398
where: short stacking energy: -391.763
Base-Backbone interact. energy: -3.374
local terms energy: -397.981347
where:
bonds (distance) C4'-P energy: -78.659
bonds (distance) P-C4' energy: -64.982
flat angles C4'-P-C4' energy: -82.673
flat angles P-C4'-P energy: -54.990
tors. eta vs tors. theta energy: -116.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 471
Temperature: 1.050000
Total energy: -1220.510131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1220.510131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1220.510131 (E_RNA)
where:
Base-Base interactions energy: -859.824
where: short stacking energy: -342.834
Base-Backbone interact. energy: -6.146
local terms energy: -354.540851
where:
bonds (distance) C4'-P energy: -67.049
bonds (distance) P-C4' energy: -62.671
flat angles C4'-P-C4' energy: -75.008
flat angles P-C4'-P energy: -46.632
tors. eta vs tors. theta energy: -103.180
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: 5, replica: 5
=====================================
Write number: 471
Temperature: 1.100000
Total energy: -1168.708153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1168.708153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1168.708153 (E_RNA)
where:
Base-Base interactions energy: -809.215
where: short stacking energy: -342.196
Base-Backbone interact. energy: 0.041
local terms energy: -359.533419
where:
bonds (distance) C4'-P energy: -75.337
bonds (distance) P-C4' energy: -65.011
flat angles C4'-P-C4' energy: -80.216
flat angles P-C4'-P energy: -48.522
tors. eta vs tors. theta energy: -90.447
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: 2
=====================================
Write number: 471
Temperature: 1.150000
Total energy: -1114.197869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1114.197869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1114.197869 (E_RNA)
where:
Base-Base interactions energy: -767.215
where: short stacking energy: -328.254
Base-Backbone interact. energy: -2.595
local terms energy: -344.388382
where:
bonds (distance) C4'-P energy: -69.471
bonds (distance) P-C4' energy: -66.663
flat angles C4'-P-C4' energy: -72.188
flat angles P-C4'-P energy: -41.738
tors. eta vs tors. theta energy: -94.329
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: 7
=====================================
Write number: 471
Temperature: 1.200000
Total energy: -1048.577664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1048.577664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1048.577664 (E_RNA)
where:
Base-Base interactions energy: -720.881
where: short stacking energy: -317.058
Base-Backbone interact. energy: -0.104
local terms energy: -327.592554
where:
bonds (distance) C4'-P energy: -67.740
bonds (distance) P-C4' energy: -62.802
flat angles C4'-P-C4' energy: -67.674
flat angles P-C4'-P energy: -40.533
tors. eta vs tors. theta energy: -88.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 471
Temperature: 1.250000
Total energy: -846.776698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -846.776698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -846.776698 (E_RNA)
where:
Base-Base interactions energy: -539.301
where: short stacking energy: -255.226
Base-Backbone interact. energy: 2.084
local terms energy: -309.560252
where:
bonds (distance) C4'-P energy: -59.921
bonds (distance) P-C4' energy: -65.597
flat angles C4'-P-C4' energy: -79.127
flat angles P-C4'-P energy: -35.308
tors. eta vs tors. theta energy: -69.607
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: 10
=====================================
Write number: 471
Temperature: 1.300000
Total energy: -680.017236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -680.017236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -680.017236 (E_RNA)
where:
Base-Base interactions energy: -416.283
where: short stacking energy: -196.505
Base-Backbone interact. energy: 1.845
local terms energy: -265.579676
where:
bonds (distance) C4'-P energy: -61.383
bonds (distance) P-C4' energy: -68.713
flat angles C4'-P-C4' energy: -61.848
flat angles P-C4'-P energy: -36.395
tors. eta vs tors. theta energy: -37.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 471
Temperature: 1.350000
Total energy: -524.809180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.809180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.809180 (E_RNA)
where:
Base-Base interactions energy: -286.760
where: short stacking energy: -146.672
Base-Backbone interact. energy: -1.546
local terms energy: -236.503150
where:
bonds (distance) C4'-P energy: -62.984
bonds (distance) P-C4' energy: -61.018
flat angles C4'-P-C4' energy: -60.641
flat angles P-C4'-P energy: -33.825
tors. eta vs tors. theta energy: -18.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 472
Temperature: 0.900000
Total energy: -1336.033776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1336.033776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1336.033776 (E_RNA)
where:
Base-Base interactions energy: -947.803
where: short stacking energy: -384.538
Base-Backbone interact. energy: -1.084
local terms energy: -387.147099
where:
bonds (distance) C4'-P energy: -83.183
bonds (distance) P-C4' energy: -66.525
flat angles C4'-P-C4' energy: -81.597
flat angles P-C4'-P energy: -56.347
tors. eta vs tors. theta energy: -99.496
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: 2, replica: 3
=====================================
Write number: 472
Temperature: 0.950000
Total energy: -1324.061598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1324.061598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1324.061598 (E_RNA)
where:
Base-Base interactions energy: -918.393
where: short stacking energy: -394.673
Base-Backbone interact. energy: 0.951
local terms energy: -406.619066
where:
bonds (distance) C4'-P energy: -70.966
bonds (distance) P-C4' energy: -78.925
flat angles C4'-P-C4' energy: -93.083
flat angles P-C4'-P energy: -59.091
tors. eta vs tors. theta energy: -104.554
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: 8
=====================================
Write number: 472
Temperature: 1.000000
Total energy: -1337.328258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1337.328258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1337.328258 (E_RNA)
where:
Base-Base interactions energy: -918.932
where: short stacking energy: -387.410
Base-Backbone interact. energy: -1.958
local terms energy: -416.438016
where:
bonds (distance) C4'-P energy: -83.872
bonds (distance) P-C4' energy: -74.304
flat angles C4'-P-C4' energy: -85.092
flat angles P-C4'-P energy: -54.760
tors. eta vs tors. theta energy: -118.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 472
Temperature: 1.050000
Total energy: -1206.906689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1206.906689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1206.906689 (E_RNA)
where:
Base-Base interactions energy: -861.570
where: short stacking energy: -327.795
Base-Backbone interact. energy: -1.783
local terms energy: -343.553014
where:
bonds (distance) C4'-P energy: -73.525
bonds (distance) P-C4' energy: -58.295
flat angles C4'-P-C4' energy: -80.503
flat angles P-C4'-P energy: -40.839
tors. eta vs tors. theta energy: -90.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 472
Temperature: 1.100000
Total energy: -1177.740939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1177.740939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1177.740939 (E_RNA)
where:
Base-Base interactions energy: -804.200
where: short stacking energy: -347.436
Base-Backbone interact. energy: -2.227
local terms energy: -371.314358
where:
bonds (distance) C4'-P energy: -76.225
bonds (distance) P-C4' energy: -71.889
flat angles C4'-P-C4' energy: -73.877
flat angles P-C4'-P energy: -51.051
tors. eta vs tors. theta energy: -98.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 472
Temperature: 1.150000
Total energy: -1105.562917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1105.562917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1105.562917 (E_RNA)
where:
Base-Base interactions energy: -743.420
where: short stacking energy: -328.362
Base-Backbone interact. energy: -0.832
local terms energy: -361.311248
where:
bonds (distance) C4'-P energy: -79.994
bonds (distance) P-C4' energy: -63.694
flat angles C4'-P-C4' energy: -71.915
flat angles P-C4'-P energy: -47.673
tors. eta vs tors. theta energy: -98.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 472
Temperature: 1.200000
Total energy: -1054.960915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1054.960915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1054.960915 (E_RNA)
where:
Base-Base interactions energy: -735.287
where: short stacking energy: -294.873
Base-Backbone interact. energy: -2.629
local terms energy: -317.044907
where:
bonds (distance) C4'-P energy: -62.564
bonds (distance) P-C4' energy: -62.780
flat angles C4'-P-C4' energy: -68.310
flat angles P-C4'-P energy: -34.741
tors. eta vs tors. theta energy: -88.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 472
Temperature: 1.250000
Total energy: -856.443834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -856.443834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -856.443834 (E_RNA)
where:
Base-Base interactions energy: -592.638
where: short stacking energy: -257.429
Base-Backbone interact. energy: 5.487
local terms energy: -269.293157
where:
bonds (distance) C4'-P energy: -52.233
bonds (distance) P-C4' energy: -56.963
flat angles C4'-P-C4' energy: -52.180
flat angles P-C4'-P energy: -44.524
tors. eta vs tors. theta energy: -63.392
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: 10
=====================================
Write number: 472
Temperature: 1.300000
Total energy: -748.056543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -748.056543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -748.056543 (E_RNA)
where:
Base-Base interactions energy: -458.920
where: short stacking energy: -223.479
Base-Backbone interact. energy: -0.975
local terms energy: -288.161701
where:
bonds (distance) C4'-P energy: -69.150
bonds (distance) P-C4' energy: -73.638
flat angles C4'-P-C4' energy: -64.617
flat angles P-C4'-P energy: -37.282
tors. eta vs tors. theta energy: -43.475
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: 4
=====================================
Write number: 472
Temperature: 1.350000
Total energy: -506.161334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.161334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.161334 (E_RNA)
where:
Base-Base interactions energy: -274.865
where: short stacking energy: -137.840
Base-Backbone interact. energy: -0.759
local terms energy: -230.537811
where:
bonds (distance) C4'-P energy: -61.348
bonds (distance) P-C4' energy: -69.420
flat angles C4'-P-C4' energy: -61.348
flat angles P-C4'-P energy: -30.524
tors. eta vs tors. theta energy: -7.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 473
Temperature: 0.900000
Total energy: -1363.157182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1363.157182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1363.157182 (E_RNA)
where:
Base-Base interactions energy: -957.595
where: short stacking energy: -391.932
Base-Backbone interact. energy: -0.801
local terms energy: -404.761598
where:
bonds (distance) C4'-P energy: -81.821
bonds (distance) P-C4' energy: -70.287
flat angles C4'-P-C4' energy: -86.838
flat angles P-C4'-P energy: -58.100
tors. eta vs tors. theta energy: -107.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 473
Temperature: 0.950000
Total energy: -1362.147260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1362.147260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1362.147260 (E_RNA)
where:
Base-Base interactions energy: -949.917
where: short stacking energy: -396.742
Base-Backbone interact. energy: -1.576
local terms energy: -410.654750
where:
bonds (distance) C4'-P energy: -75.077
bonds (distance) P-C4' energy: -78.626
flat angles C4'-P-C4' energy: -76.325
flat angles P-C4'-P energy: -57.380
tors. eta vs tors. theta energy: -123.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 473
Temperature: 1.000000
Total energy: -1279.848096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1279.848096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1279.848096 (E_RNA)
where:
Base-Base interactions energy: -900.605
where: short stacking energy: -371.850
Base-Backbone interact. energy: -1.421
local terms energy: -377.822511
where:
bonds (distance) C4'-P energy: -69.712
bonds (distance) P-C4' energy: -78.860
flat angles C4'-P-C4' energy: -81.110
flat angles P-C4'-P energy: -47.486
tors. eta vs tors. theta energy: -100.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 473
Temperature: 1.050000
Total energy: -1195.097493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1195.097493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1195.097493 (E_RNA)
where:
Base-Base interactions energy: -809.057
where: short stacking energy: -343.371
Base-Backbone interact. energy: -0.276
local terms energy: -385.764070
where:
bonds (distance) C4'-P energy: -72.164
bonds (distance) P-C4' energy: -70.373
flat angles C4'-P-C4' energy: -86.688
flat angles P-C4'-P energy: -62.122
tors. eta vs tors. theta energy: -94.417
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: 5, replica: 6
=====================================
Write number: 473
Temperature: 1.100000
Total energy: -1186.487465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1186.487465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1186.487465 (E_RNA)
where:
Base-Base interactions energy: -827.479
where: short stacking energy: -320.611
Base-Backbone interact. energy: 0.557
local terms energy: -359.565159
where:
bonds (distance) C4'-P energy: -66.735
bonds (distance) P-C4' energy: -61.434
flat angles C4'-P-C4' energy: -83.377
flat angles P-C4'-P energy: -59.384
tors. eta vs tors. theta energy: -88.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 473
Temperature: 1.150000
Total energy: -1087.973568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1087.973568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1087.973568 (E_RNA)
where:
Base-Base interactions energy: -753.137
where: short stacking energy: -311.082
Base-Backbone interact. energy: 0.716
local terms energy: -335.552236
where:
bonds (distance) C4'-P energy: -65.989
bonds (distance) P-C4' energy: -67.834
flat angles C4'-P-C4' energy: -71.913
flat angles P-C4'-P energy: -59.165
tors. eta vs tors. theta energy: -70.651
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: 7
=====================================
Write number: 473
Temperature: 1.200000
Total energy: -1090.881009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1090.881009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1090.881009 (E_RNA)
where:
Base-Base interactions energy: -762.397
where: short stacking energy: -323.892
Base-Backbone interact. energy: -0.638
local terms energy: -327.845250
where:
bonds (distance) C4'-P energy: -63.370
bonds (distance) P-C4' energy: -59.567
flat angles C4'-P-C4' energy: -69.810
flat angles P-C4'-P energy: -51.098
tors. eta vs tors. theta energy: -83.999
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: 473
Temperature: 1.250000
Total energy: -905.783746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -905.783746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -905.783746 (E_RNA)
where:
Base-Base interactions energy: -591.968
where: short stacking energy: -264.115
Base-Backbone interact. energy: -1.796
local terms energy: -312.020018
where:
bonds (distance) C4'-P energy: -64.304
bonds (distance) P-C4' energy: -59.769
flat angles C4'-P-C4' energy: -76.956
flat angles P-C4'-P energy: -52.457
tors. eta vs tors. theta energy: -58.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 473
Temperature: 1.300000
Total energy: -686.092140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -686.092140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -686.092140 (E_RNA)
where:
Base-Base interactions energy: -412.314
where: short stacking energy: -189.566
Base-Backbone interact. energy: -2.713
local terms energy: -271.064985
where:
bonds (distance) C4'-P energy: -54.910
bonds (distance) P-C4' energy: -67.908
flat angles C4'-P-C4' energy: -67.743
flat angles P-C4'-P energy: -49.471
tors. eta vs tors. theta energy: -31.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 473
Temperature: 1.350000
Total energy: -501.403324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.403324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.403324 (E_RNA)
where:
Base-Base interactions energy: -285.383
where: short stacking energy: -149.099
Base-Backbone interact. energy: 0.388
local terms energy: -216.408262
where:
bonds (distance) C4'-P energy: -68.084
bonds (distance) P-C4' energy: -74.884
flat angles C4'-P-C4' energy: -46.276
flat angles P-C4'-P energy: -14.614
tors. eta vs tors. theta energy: -12.550
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: 9
=====================================
Write number: 474
Temperature: 0.900000
Total energy: -1370.541002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1370.541002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1370.541002 (E_RNA)
where:
Base-Base interactions energy: -960.331
where: short stacking energy: -386.022
Base-Backbone interact. energy: -1.070
local terms energy: -409.139552
where:
bonds (distance) C4'-P energy: -82.217
bonds (distance) P-C4' energy: -83.377
flat angles C4'-P-C4' energy: -88.186
flat angles P-C4'-P energy: -53.533
tors. eta vs tors. theta energy: -101.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 474
Temperature: 0.950000
Total energy: -1351.105327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1351.105327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1351.105327 (E_RNA)
where:
Base-Base interactions energy: -936.496
where: short stacking energy: -394.544
Base-Backbone interact. energy: -2.393
local terms energy: -412.216525
where:
bonds (distance) C4'-P energy: -66.508
bonds (distance) P-C4' energy: -77.772
flat angles C4'-P-C4' energy: -89.551
flat angles P-C4'-P energy: -54.772
tors. eta vs tors. theta energy: -123.613
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: 3
=====================================
Write number: 474
Temperature: 1.000000
Total energy: -1307.753831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1307.753831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1307.753831 (E_RNA)
where:
Base-Base interactions energy: -918.084
where: short stacking energy: -374.060
Base-Backbone interact. energy: -0.261
local terms energy: -389.408853
where:
bonds (distance) C4'-P energy: -68.872
bonds (distance) P-C4' energy: -74.621
flat angles C4'-P-C4' energy: -84.414
flat angles P-C4'-P energy: -57.300
tors. eta vs tors. theta energy: -104.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 474
Temperature: 1.050000
Total energy: -1185.374848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1185.374848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1185.374848 (E_RNA)
where:
Base-Base interactions energy: -825.388
where: short stacking energy: -339.686
Base-Backbone interact. energy: 1.480
local terms energy: -361.467317
where:
bonds (distance) C4'-P energy: -71.774
bonds (distance) P-C4' energy: -74.706
flat angles C4'-P-C4' energy: -75.245
flat angles P-C4'-P energy: -53.334
tors. eta vs tors. theta energy: -86.409
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: 6
=====================================
Write number: 474
Temperature: 1.100000
Total energy: -1171.883759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1171.883759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1171.883759 (E_RNA)
where:
Base-Base interactions energy: -838.311
where: short stacking energy: -313.676
Base-Backbone interact. energy: 9.980
local terms energy: -343.552485
where:
bonds (distance) C4'-P energy: -59.914
bonds (distance) P-C4' energy: -68.333
flat angles C4'-P-C4' energy: -85.521
flat angles P-C4'-P energy: -44.086
tors. eta vs tors. theta energy: -85.699
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: 2
=====================================
Write number: 474
Temperature: 1.150000
Total energy: -1110.739449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1110.739449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1110.739449 (E_RNA)
where:
Base-Base interactions energy: -767.551
where: short stacking energy: -338.700
Base-Backbone interact. energy: -1.456
local terms energy: -341.732359
where:
bonds (distance) C4'-P energy: -74.462
bonds (distance) P-C4' energy: -66.677
flat angles C4'-P-C4' energy: -75.073
flat angles P-C4'-P energy: -32.534
tors. eta vs tors. theta energy: -92.986
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: 7, replica: 7
=====================================
Write number: 474
Temperature: 1.200000
Total energy: -1059.189637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1059.189637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1059.189637 (E_RNA)
where:
Base-Base interactions energy: -724.600
where: short stacking energy: -296.618
Base-Backbone interact. energy: 0.419
local terms energy: -335.007841
where:
bonds (distance) C4'-P energy: -71.891
bonds (distance) P-C4' energy: -75.050
flat angles C4'-P-C4' energy: -70.000
flat angles P-C4'-P energy: -38.701
tors. eta vs tors. theta energy: -79.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 474
Temperature: 1.250000
Total energy: -860.347764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -860.347764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -860.347764 (E_RNA)
where:
Base-Base interactions energy: -545.279
where: short stacking energy: -233.208
Base-Backbone interact. energy: 0.141
local terms energy: -315.209973
where:
bonds (distance) C4'-P energy: -64.457
bonds (distance) P-C4' energy: -60.429
flat angles C4'-P-C4' energy: -80.500
flat angles P-C4'-P energy: -46.654
tors. eta vs tors. theta energy: -63.170
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: 10
=====================================
Write number: 474
Temperature: 1.300000
Total energy: -688.403842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -688.403842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -688.403842 (E_RNA)
where:
Base-Base interactions energy: -417.585
where: short stacking energy: -191.504
Base-Backbone interact. energy: -0.628
local terms energy: -270.191233
where:
bonds (distance) C4'-P energy: -66.195
bonds (distance) P-C4' energy: -66.879
flat angles C4'-P-C4' energy: -66.824
flat angles P-C4'-P energy: -31.964
tors. eta vs tors. theta energy: -38.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 474
Temperature: 1.350000
Total energy: -448.902307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.902307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.902307 (E_RNA)
where:
Base-Base interactions energy: -245.922
where: short stacking energy: -124.053
Base-Backbone interact. energy: -0.121
local terms energy: -202.859184
where:
bonds (distance) C4'-P energy: -68.004
bonds (distance) P-C4' energy: -59.963
flat angles C4'-P-C4' energy: -41.520
flat angles P-C4'-P energy: -36.073
tors. eta vs tors. theta energy: 2.700
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: 9
=====================================
Write number: 475
Temperature: 0.900000
Total energy: -1374.793322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1374.793322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1374.793322 (E_RNA)
where:
Base-Base interactions energy: -971.126
where: short stacking energy: -391.799
Base-Backbone interact. energy: -2.941
local terms energy: -400.726676
where:
bonds (distance) C4'-P energy: -71.483
bonds (distance) P-C4' energy: -86.622
flat angles C4'-P-C4' energy: -82.722
flat angles P-C4'-P energy: -56.084
tors. eta vs tors. theta energy: -103.816
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: 2, replica: 8
=====================================
Write number: 475
Temperature: 0.950000
Total energy: -1339.124595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1339.124595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1339.124595 (E_RNA)
where:
Base-Base interactions energy: -949.851
where: short stacking energy: -402.183
Base-Backbone interact. energy: -2.409
local terms energy: -386.864325
where:
bonds (distance) C4'-P energy: -65.944
bonds (distance) P-C4' energy: -67.251
flat angles C4'-P-C4' energy: -84.776
flat angles P-C4'-P energy: -49.553
tors. eta vs tors. theta energy: -119.341
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: 3, replica: 3
=====================================
Write number: 475
Temperature: 1.000000
Total energy: -1296.499565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1296.499565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1296.499565 (E_RNA)
where:
Base-Base interactions energy: -886.209
where: short stacking energy: -385.010
Base-Backbone interact. energy: -1.987
local terms energy: -408.383143
where:
bonds (distance) C4'-P energy: -81.615
bonds (distance) P-C4' energy: -78.907
flat angles C4'-P-C4' energy: -84.362
flat angles P-C4'-P energy: -60.526
tors. eta vs tors. theta energy: -102.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.079 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 475
Temperature: 1.050000
Total energy: -1198.884657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1198.884657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1198.884657 (E_RNA)
where:
Base-Base interactions energy: -833.308
where: short stacking energy: -350.046
Base-Backbone interact. energy: -0.442
local terms energy: -365.134564
where:
bonds (distance) C4'-P energy: -73.009
bonds (distance) P-C4' energy: -72.040
flat angles C4'-P-C4' energy: -74.159
flat angles P-C4'-P energy: -53.183
tors. eta vs tors. theta energy: -92.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 475
Temperature: 1.100000
Total energy: -1200.256269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1200.256269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1200.256269 (E_RNA)
where:
Base-Base interactions energy: -843.723
where: short stacking energy: -337.824
Base-Backbone interact. energy: 1.973
local terms energy: -358.506201
where:
bonds (distance) C4'-P energy: -59.405
bonds (distance) P-C4' energy: -73.340
flat angles C4'-P-C4' energy: -76.436
flat angles P-C4'-P energy: -56.519
tors. eta vs tors. theta energy: -92.805
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: 2
=====================================
Write number: 475
Temperature: 1.150000
Total energy: -1156.088049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1156.088049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1156.088049 (E_RNA)
where:
Base-Base interactions energy: -785.199
where: short stacking energy: -347.435
Base-Backbone interact. energy: -1.372
local terms energy: -369.516669
where:
bonds (distance) C4'-P energy: -75.426
bonds (distance) P-C4' energy: -61.391
flat angles C4'-P-C4' energy: -77.447
flat angles P-C4'-P energy: -53.148
tors. eta vs tors. theta energy: -102.104
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: 7
=====================================
Write number: 475
Temperature: 1.200000
Total energy: -1066.630586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1066.630586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1066.630586 (E_RNA)
where:
Base-Base interactions energy: -742.207
where: short stacking energy: -315.493
Base-Backbone interact. energy: -1.257
local terms energy: -323.165870
where:
bonds (distance) C4'-P energy: -61.469
bonds (distance) P-C4' energy: -58.761
flat angles C4'-P-C4' energy: -78.811
flat angles P-C4'-P energy: -41.430
tors. eta vs tors. theta energy: -82.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 475
Temperature: 1.250000
Total energy: -810.985698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -810.985698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -810.985698 (E_RNA)
where:
Base-Base interactions energy: -543.452
where: short stacking energy: -237.966
Base-Backbone interact. energy: 3.418
local terms energy: -270.951630
where:
bonds (distance) C4'-P energy: -57.670
bonds (distance) P-C4' energy: -66.908
flat angles C4'-P-C4' energy: -54.586
flat angles P-C4'-P energy: -39.401
tors. eta vs tors. theta energy: -52.386
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: 10
=====================================
Write number: 475
Temperature: 1.300000
Total energy: -718.271488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -718.271488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -718.271488 (E_RNA)
where:
Base-Base interactions energy: -455.820
where: short stacking energy: -215.161
Base-Backbone interact. energy: 2.741
local terms energy: -265.192272
where:
bonds (distance) C4'-P energy: -45.261
bonds (distance) P-C4' energy: -66.898
flat angles C4'-P-C4' energy: -70.783
flat angles P-C4'-P energy: -38.638
tors. eta vs tors. theta energy: -43.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 475
Temperature: 1.350000
Total energy: -470.680386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.680386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.680386 (E_RNA)
where:
Base-Base interactions energy: -249.923
where: short stacking energy: -124.463
Base-Backbone interact. energy: -2.091
local terms energy: -218.666116
where:
bonds (distance) C4'-P energy: -55.460
bonds (distance) P-C4' energy: -67.253
flat angles C4'-P-C4' energy: -51.261
flat angles P-C4'-P energy: -36.262
tors. eta vs tors. theta energy: -8.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 476
Temperature: 0.900000
Total energy: -1387.303165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1387.303165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1387.303165 (E_RNA)
where:
Base-Base interactions energy: -985.988
where: short stacking energy: -392.538
Base-Backbone interact. energy: -2.384
local terms energy: -398.930967
where:
bonds (distance) C4'-P energy: -65.702
bonds (distance) P-C4' energy: -76.959
flat angles C4'-P-C4' energy: -91.630
flat angles P-C4'-P energy: -65.026
tors. eta vs tors. theta energy: -99.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 476
Temperature: 0.950000
Total energy: -1364.538385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1364.538385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1364.538385 (E_RNA)
where:
Base-Base interactions energy: -947.211
where: short stacking energy: -404.805
Base-Backbone interact. energy: 4.063
local terms energy: -421.390129
where:
bonds (distance) C4'-P energy: -77.485
bonds (distance) P-C4' energy: -85.313
flat angles C4'-P-C4' energy: -85.428
flat angles P-C4'-P energy: -55.766
tors. eta vs tors. theta energy: -117.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 476
Temperature: 1.000000
Total energy: -1306.179022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1306.179022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1306.179022 (E_RNA)
where:
Base-Base interactions energy: -912.764
where: short stacking energy: -398.599
Base-Backbone interact. energy: 2.573
local terms energy: -396.028584
where:
bonds (distance) C4'-P energy: -69.172
bonds (distance) P-C4' energy: -65.253
flat angles C4'-P-C4' energy: -91.858
flat angles P-C4'-P energy: -53.988
tors. eta vs tors. theta energy: -115.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.041 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 476
Temperature: 1.050000
Total energy: -1220.919313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1220.919313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1220.919313 (E_RNA)
where:
Base-Base interactions energy: -843.520
where: short stacking energy: -353.874
Base-Backbone interact. energy: 1.192
local terms energy: -378.591564
where:
bonds (distance) C4'-P energy: -70.928
bonds (distance) P-C4' energy: -77.329
flat angles C4'-P-C4' energy: -85.220
flat angles P-C4'-P energy: -46.490
tors. eta vs tors. theta energy: -98.624
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: 6
=====================================
Write number: 476
Temperature: 1.100000
Total energy: -1194.309271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1194.309271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1194.309271 (E_RNA)
where:
Base-Base interactions energy: -847.478
where: short stacking energy: -325.827
Base-Backbone interact. energy: -3.263
local terms energy: -343.568795
where:
bonds (distance) C4'-P energy: -69.565
bonds (distance) P-C4' energy: -75.833
flat angles C4'-P-C4' energy: -78.189
flat angles P-C4'-P energy: -42.394
tors. eta vs tors. theta energy: -77.588
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: 2
=====================================
Write number: 476
Temperature: 1.150000
Total energy: -1096.698236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1096.698236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1096.698236 (E_RNA)
where:
Base-Base interactions energy: -747.230
where: short stacking energy: -329.476
Base-Backbone interact. energy: -0.839
local terms energy: -350.154847
where:
bonds (distance) C4'-P energy: -60.176
bonds (distance) P-C4' energy: -71.594
flat angles C4'-P-C4' energy: -85.649
flat angles P-C4'-P energy: -43.564
tors. eta vs tors. theta energy: -89.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.526 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 476
Temperature: 1.200000
Total energy: -1104.113202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1104.113202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1104.113202 (E_RNA)
where:
Base-Base interactions energy: -743.464
where: short stacking energy: -317.217
Base-Backbone interact. energy: -1.198
local terms energy: -359.451481
where:
bonds (distance) C4'-P energy: -67.070
bonds (distance) P-C4' energy: -66.837
flat angles C4'-P-C4' energy: -82.440
flat angles P-C4'-P energy: -49.719
tors. eta vs tors. theta energy: -93.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 476
Temperature: 1.250000
Total energy: -827.074859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -827.074859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -827.074859 (E_RNA)
where:
Base-Base interactions energy: -545.811
where: short stacking energy: -226.989
Base-Backbone interact. energy: 0.411
local terms energy: -281.674663
where:
bonds (distance) C4'-P energy: -73.957
bonds (distance) P-C4' energy: -52.068
flat angles C4'-P-C4' energy: -67.743
flat angles P-C4'-P energy: -41.753
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: 10
=====================================
Write number: 476
Temperature: 1.300000
Total energy: -709.007930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -709.007930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -709.007930 (E_RNA)
where:
Base-Base interactions energy: -453.497
where: short stacking energy: -194.126
Base-Backbone interact. energy: -1.440
local terms energy: -254.071392
where:
bonds (distance) C4'-P energy: -61.238
bonds (distance) P-C4' energy: -63.071
flat angles C4'-P-C4' energy: -59.707
flat angles P-C4'-P energy: -42.765
tors. eta vs tors. theta energy: -27.291
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: 4
=====================================
Write number: 476
Temperature: 1.350000
Total energy: -501.569285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.569285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.569285 (E_RNA)
where:
Base-Base interactions energy: -272.128
where: short stacking energy: -129.287
Base-Backbone interact. energy: -0.947
local terms energy: -228.494185
where:
bonds (distance) C4'-P energy: -67.529
bonds (distance) P-C4' energy: -63.832
flat angles C4'-P-C4' energy: -63.090
flat angles P-C4'-P energy: -26.675
tors. eta vs tors. theta energy: -7.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 477
Temperature: 0.900000
Total energy: -1387.944733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1387.944733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1387.944733 (E_RNA)
where:
Base-Base interactions energy: -972.905
where: short stacking energy: -402.184
Base-Backbone interact. energy: -3.679
local terms energy: -411.360529
where:
bonds (distance) C4'-P energy: -84.124
bonds (distance) P-C4' energy: -73.018
flat angles C4'-P-C4' energy: -90.854
flat angles P-C4'-P energy: -58.917
tors. eta vs tors. theta energy: -104.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 477
Temperature: 0.950000
Total energy: -1351.320556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1351.320556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1351.320556 (E_RNA)
where:
Base-Base interactions energy: -927.595
where: short stacking energy: -399.651
Base-Backbone interact. energy: 4.754
local terms energy: -428.479667
where:
bonds (distance) C4'-P energy: -81.788
bonds (distance) P-C4' energy: -84.963
flat angles C4'-P-C4' energy: -83.956
flat angles P-C4'-P energy: -54.756
tors. eta vs tors. theta energy: -123.017
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: 477
Temperature: 1.000000
Total energy: -1279.246660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1279.246660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1279.246660 (E_RNA)
where:
Base-Base interactions energy: -895.860
where: short stacking energy: -382.545
Base-Backbone interact. energy: -2.809
local terms energy: -380.577600
where:
bonds (distance) C4'-P energy: -63.725
bonds (distance) P-C4' energy: -71.192
flat angles C4'-P-C4' energy: -81.396
flat angles P-C4'-P energy: -50.716
tors. eta vs tors. theta energy: -113.548
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: 6
=====================================
Write number: 477
Temperature: 1.050000
Total energy: -1214.622602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1214.622602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1214.622602 (E_RNA)
where:
Base-Base interactions energy: -870.799
where: short stacking energy: -344.892
Base-Backbone interact. energy: -0.138
local terms energy: -343.686160
where:
bonds (distance) C4'-P energy: -58.941
bonds (distance) P-C4' energy: -58.195
flat angles C4'-P-C4' energy: -75.088
flat angles P-C4'-P energy: -60.197
tors. eta vs tors. theta energy: -91.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 477
Temperature: 1.100000
Total energy: -1165.521294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1165.521294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1165.521294 (E_RNA)
where:
Base-Base interactions energy: -797.594
where: short stacking energy: -359.949
Base-Backbone interact. energy: -1.882
local terms energy: -366.045642
where:
bonds (distance) C4'-P energy: -64.570
bonds (distance) P-C4' energy: -67.307
flat angles C4'-P-C4' energy: -79.999
flat angles P-C4'-P energy: -54.012
tors. eta vs tors. theta energy: -100.159
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: 7
=====================================
Write number: 477
Temperature: 1.150000
Total energy: -1120.793648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1120.793648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1120.793648 (E_RNA)
where:
Base-Base interactions energy: -776.256
where: short stacking energy: -338.255
Base-Backbone interact. energy: 0.436
local terms energy: -344.973597
where:
bonds (distance) C4'-P energy: -55.098
bonds (distance) P-C4' energy: -70.981
flat angles C4'-P-C4' energy: -73.948
flat angles P-C4'-P energy: -45.938
tors. eta vs tors. theta energy: -99.010
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: 2
=====================================
Write number: 477
Temperature: 1.200000
Total energy: -1052.525305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1052.525305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1052.525305 (E_RNA)
where:
Base-Base interactions energy: -720.693
where: short stacking energy: -297.968
Base-Backbone interact. energy: -0.987
local terms energy: -330.844839
where:
bonds (distance) C4'-P energy: -61.775
bonds (distance) P-C4' energy: -64.666
flat angles C4'-P-C4' energy: -74.515
flat angles P-C4'-P energy: -44.130
tors. eta vs tors. theta energy: -85.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 477
Temperature: 1.250000
Total energy: -854.775954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -854.775954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -854.775954 (E_RNA)
where:
Base-Base interactions energy: -572.068
where: short stacking energy: -260.224
Base-Backbone interact. energy: 0.922
local terms energy: -285.068425
where:
bonds (distance) C4'-P energy: -62.094
bonds (distance) P-C4' energy: -71.075
flat angles C4'-P-C4' energy: -69.859
flat angles P-C4'-P energy: -36.765
tors. eta vs tors. theta energy: -45.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.438 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 477
Temperature: 1.300000
Total energy: -747.669551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -747.669551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -747.669551 (E_RNA)
where:
Base-Base interactions energy: -476.929
where: short stacking energy: -208.486
Base-Backbone interact. energy: -1.579
local terms energy: -269.160955
where:
bonds (distance) C4'-P energy: -57.949
bonds (distance) P-C4' energy: -70.006
flat angles C4'-P-C4' energy: -65.279
flat angles P-C4'-P energy: -42.311
tors. eta vs tors. theta energy: -33.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 477
Temperature: 1.350000
Total energy: -502.426901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.426901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.426901 (E_RNA)
where:
Base-Base interactions energy: -258.315
where: short stacking energy: -134.755
Base-Backbone interact. energy: 0.176
local terms energy: -244.287384
where:
bonds (distance) C4'-P energy: -65.579
bonds (distance) P-C4' energy: -68.779
flat angles C4'-P-C4' energy: -55.652
flat angles P-C4'-P energy: -42.122
tors. eta vs tors. theta energy: -12.155
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: 1, replica: 9
=====================================
Write number: 478
Temperature: 0.900000
Total energy: -1415.140264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1415.140264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1415.140264 (E_RNA)
where:
Base-Base interactions energy: -1011.903
where: short stacking energy: -404.252
Base-Backbone interact. energy: 4.374
local terms energy: -407.611378
where:
bonds (distance) C4'-P energy: -85.804
bonds (distance) P-C4' energy: -77.367
flat angles C4'-P-C4' energy: -88.019
flat angles P-C4'-P energy: -56.063
tors. eta vs tors. theta energy: -100.358
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: 8
=====================================
Write number: 478
Temperature: 0.950000
Total energy: -1358.383052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1358.383052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1358.383052 (E_RNA)
where:
Base-Base interactions energy: -950.468
where: short stacking energy: -406.907
Base-Backbone interact. energy: -1.695
local terms energy: -406.220589
where:
bonds (distance) C4'-P energy: -73.670
bonds (distance) P-C4' energy: -70.578
flat angles C4'-P-C4' energy: -88.134
flat angles P-C4'-P energy: -58.783
tors. eta vs tors. theta energy: -115.056
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: 3
=====================================
Write number: 478
Temperature: 1.000000
Total energy: -1297.903333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1297.903333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1297.903333 (E_RNA)
where:
Base-Base interactions energy: -912.383
where: short stacking energy: -397.905
Base-Backbone interact. energy: -2.165
local terms energy: -383.355794
where:
bonds (distance) C4'-P energy: -61.521
bonds (distance) P-C4' energy: -73.157
flat angles C4'-P-C4' energy: -85.872
flat angles P-C4'-P energy: -51.408
tors. eta vs tors. theta energy: -111.398
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: 6
=====================================
Write number: 478
Temperature: 1.050000
Total energy: -1237.267129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1237.267129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1237.267129 (E_RNA)
where:
Base-Base interactions energy: -850.606
where: short stacking energy: -354.353
Base-Backbone interact. energy: -1.631
local terms energy: -385.030268
where:
bonds (distance) C4'-P energy: -65.994
bonds (distance) P-C4' energy: -76.380
flat angles C4'-P-C4' energy: -87.761
flat angles P-C4'-P energy: -64.134
tors. eta vs tors. theta energy: -90.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 478
Temperature: 1.100000
Total energy: -1194.401843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1194.401843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1194.401843 (E_RNA)
where:
Base-Base interactions energy: -828.020
where: short stacking energy: -343.900
Base-Backbone interact. energy: 0.847
local terms energy: -367.228346
where:
bonds (distance) C4'-P energy: -69.148
bonds (distance) P-C4' energy: -65.615
flat angles C4'-P-C4' energy: -80.111
flat angles P-C4'-P energy: -59.168
tors. eta vs tors. theta energy: -93.186
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: 7
=====================================
Write number: 478
Temperature: 1.150000
Total energy: -1090.200810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1090.200810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1090.200810 (E_RNA)
where:
Base-Base interactions energy: -736.251
where: short stacking energy: -322.671
Base-Backbone interact. energy: -0.946
local terms energy: -353.003651
where:
bonds (distance) C4'-P energy: -70.102
bonds (distance) P-C4' energy: -69.287
flat angles C4'-P-C4' energy: -69.836
flat angles P-C4'-P energy: -52.310
tors. eta vs tors. theta energy: -91.469
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: 2
=====================================
Write number: 478
Temperature: 1.200000
Total energy: -1042.978517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1042.978517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1042.978517 (E_RNA)
where:
Base-Base interactions energy: -689.796
where: short stacking energy: -288.659
Base-Backbone interact. energy: -0.464
local terms energy: -352.718549
where:
bonds (distance) C4'-P energy: -67.957
bonds (distance) P-C4' energy: -70.159
flat angles C4'-P-C4' energy: -71.388
flat angles P-C4'-P energy: -59.158
tors. eta vs tors. theta energy: -84.056
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: 8, replica: 1
=====================================
Write number: 478
Temperature: 1.250000
Total energy: -852.586989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -852.586989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -852.586989 (E_RNA)
where:
Base-Base interactions energy: -565.362
where: short stacking energy: -248.265
Base-Backbone interact. energy: 0.967
local terms energy: -288.191765
where:
bonds (distance) C4'-P energy: -59.357
bonds (distance) P-C4' energy: -67.904
flat angles C4'-P-C4' energy: -65.855
flat angles P-C4'-P energy: -42.975
tors. eta vs tors. theta energy: -52.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 478
Temperature: 1.300000
Total energy: -715.755133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -715.755133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -715.755133 (E_RNA)
where:
Base-Base interactions energy: -442.307
where: short stacking energy: -188.215
Base-Backbone interact. energy: -0.736
local terms energy: -272.711793
where:
bonds (distance) C4'-P energy: -66.297
bonds (distance) P-C4' energy: -70.293
flat angles C4'-P-C4' energy: -65.616
flat angles P-C4'-P energy: -39.844
tors. eta vs tors. theta energy: -30.662
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: 10, replica: 4
=====================================
Write number: 478
Temperature: 1.350000
Total energy: -477.199000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.199000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.199000 (E_RNA)
where:
Base-Base interactions energy: -249.816
where: short stacking energy: -154.403
Base-Backbone interact. energy: -1.386
local terms energy: -225.996911
where:
bonds (distance) C4'-P energy: -53.865
bonds (distance) P-C4' energy: -60.754
flat angles C4'-P-C4' energy: -64.171
flat angles P-C4'-P energy: -33.623
tors. eta vs tors. theta energy: -13.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 479
Temperature: 0.900000
Total energy: -1389.300246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1389.300246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1389.300246 (E_RNA)
where:
Base-Base interactions energy: -981.449
where: short stacking energy: -395.220
Base-Backbone interact. energy: -2.517
local terms energy: -405.335197
where:
bonds (distance) C4'-P energy: -79.069
bonds (distance) P-C4' energy: -79.617
flat angles C4'-P-C4' energy: -83.415
flat angles P-C4'-P energy: -58.264
tors. eta vs tors. theta energy: -104.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 479
Temperature: 0.950000
Total energy: -1350.802637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1350.802637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1350.802637 (E_RNA)
where:
Base-Base interactions energy: -942.254
where: short stacking energy: -405.067
Base-Backbone interact. energy: 0.324
local terms energy: -408.873200
where:
bonds (distance) C4'-P energy: -76.619
bonds (distance) P-C4' energy: -72.792
flat angles C4'-P-C4' energy: -85.095
flat angles P-C4'-P energy: -56.974
tors. eta vs tors. theta energy: -117.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 479
Temperature: 1.000000
Total energy: -1296.141761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1296.141761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1296.141761 (E_RNA)
where:
Base-Base interactions energy: -891.963
where: short stacking energy: -385.514
Base-Backbone interact. energy: -1.593
local terms energy: -402.586104
where:
bonds (distance) C4'-P energy: -66.120
bonds (distance) P-C4' energy: -76.629
flat angles C4'-P-C4' energy: -87.334
flat angles P-C4'-P energy: -61.431
tors. eta vs tors. theta energy: -111.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 479
Temperature: 1.050000
Total energy: -1268.216844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1268.216844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1268.216844 (E_RNA)
where:
Base-Base interactions energy: -890.616
where: short stacking energy: -349.995
Base-Backbone interact. energy: -2.287
local terms energy: -375.313367
where:
bonds (distance) C4'-P energy: -74.462
bonds (distance) P-C4' energy: -73.679
flat angles C4'-P-C4' energy: -77.341
flat angles P-C4'-P energy: -57.311
tors. eta vs tors. theta energy: -92.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 479
Temperature: 1.100000
Total energy: -1198.419885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1198.419885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1198.419885 (E_RNA)
where:
Base-Base interactions energy: -828.659
where: short stacking energy: -345.574
Base-Backbone interact. energy: -0.063
local terms energy: -369.698229
where:
bonds (distance) C4'-P energy: -64.348
bonds (distance) P-C4' energy: -70.758
flat angles C4'-P-C4' energy: -85.751
flat angles P-C4'-P energy: -49.685
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: 6, replica: 7
=====================================
Write number: 479
Temperature: 1.150000
Total energy: -1106.122255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1106.122255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1106.122255 (E_RNA)
where:
Base-Base interactions energy: -759.927
where: short stacking energy: -333.990
Base-Backbone interact. energy: -0.810
local terms energy: -345.384998
where:
bonds (distance) C4'-P energy: -64.652
bonds (distance) P-C4' energy: -58.984
flat angles C4'-P-C4' energy: -78.237
flat angles P-C4'-P energy: -44.724
tors. eta vs tors. theta energy: -98.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 479
Temperature: 1.200000
Total energy: -1060.229387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1060.229387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1060.229387 (E_RNA)
where:
Base-Base interactions energy: -709.064
where: short stacking energy: -303.185
Base-Backbone interact. energy: -2.155
local terms energy: -349.009820
where:
bonds (distance) C4'-P energy: -67.198
bonds (distance) P-C4' energy: -67.113
flat angles C4'-P-C4' energy: -82.165
flat angles P-C4'-P energy: -52.424
tors. eta vs tors. theta energy: -80.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 479
Temperature: 1.250000
Total energy: -722.349827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -722.349827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -722.349827 (E_RNA)
where:
Base-Base interactions energy: -427.306
where: short stacking energy: -230.529
Base-Backbone interact. energy: -0.251
local terms energy: -294.792541
where:
bonds (distance) C4'-P energy: -61.577
bonds (distance) P-C4' energy: -68.550
flat angles C4'-P-C4' energy: -73.122
flat angles P-C4'-P energy: -51.142
tors. eta vs tors. theta energy: -40.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 479
Temperature: 1.300000
Total energy: -820.922822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -820.922822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -820.922822 (E_RNA)
where:
Base-Base interactions energy: -551.318
where: short stacking energy: -258.555
Base-Backbone interact. energy: 6.845
local terms energy: -276.449740
where:
bonds (distance) C4'-P energy: -50.164
bonds (distance) P-C4' energy: -56.288
flat angles C4'-P-C4' energy: -74.109
flat angles P-C4'-P energy: -43.073
tors. eta vs tors. theta energy: -52.815
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: 4
=====================================
Write number: 479
Temperature: 1.350000
Total energy: -535.809663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.809663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.809663 (E_RNA)
where:
Base-Base interactions energy: -293.237
where: short stacking energy: -158.007
Base-Backbone interact. energy: -1.660
local terms energy: -240.913065
where:
bonds (distance) C4'-P energy: -55.758
bonds (distance) P-C4' energy: -53.863
flat angles C4'-P-C4' energy: -70.047
flat angles P-C4'-P energy: -51.565
tors. eta vs tors. theta energy: -9.679
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: 9
=====================================
Write number: 480
Temperature: 0.900000
Total energy: -1393.388895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1393.388895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1393.388895 (E_RNA)
where:
Base-Base interactions energy: -976.845
where: short stacking energy: -399.929
Base-Backbone interact. energy: -3.281
local terms energy: -413.262189
where:
bonds (distance) C4'-P energy: -86.082
bonds (distance) P-C4' energy: -68.110
flat angles C4'-P-C4' energy: -83.675
flat angles P-C4'-P energy: -64.256
tors. eta vs tors. theta energy: -111.139
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: 8
=====================================
Write number: 480
Temperature: 0.950000
Total energy: -1335.115864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1335.115864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1335.115864 (E_RNA)
where:
Base-Base interactions energy: -911.398
where: short stacking energy: -395.378
Base-Backbone interact. energy: -1.628
local terms energy: -422.090046
where:
bonds (distance) C4'-P energy: -81.949
bonds (distance) P-C4' energy: -71.367
flat angles C4'-P-C4' energy: -91.771
flat angles P-C4'-P energy: -62.348
tors. eta vs tors. theta energy: -114.655
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: 3
=====================================
Write number: 480
Temperature: 1.000000
Total energy: -1297.507228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1297.507228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1297.507228 (E_RNA)
where:
Base-Base interactions energy: -895.031
where: short stacking energy: -383.615
Base-Backbone interact. energy: 1.571
local terms energy: -404.047171
where:
bonds (distance) C4'-P energy: -68.971
bonds (distance) P-C4' energy: -73.854
flat angles C4'-P-C4' energy: -85.979
flat angles P-C4'-P energy: -60.017
tors. eta vs tors. theta energy: -115.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 480
Temperature: 1.050000
Total energy: -1254.720586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1254.720586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1254.720586 (E_RNA)
where:
Base-Base interactions energy: -891.312
where: short stacking energy: -352.675
Base-Backbone interact. energy: 0.030
local terms energy: -363.438032
where:
bonds (distance) C4'-P energy: -70.446
bonds (distance) P-C4' energy: -68.635
flat angles C4'-P-C4' energy: -80.490
flat angles P-C4'-P energy: -50.261
tors. eta vs tors. theta energy: -93.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 480
Temperature: 1.100000
Total energy: -1185.729191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1185.729191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1185.729191 (E_RNA)
where:
Base-Base interactions energy: -817.266
where: short stacking energy: -361.886
Base-Backbone interact. energy: -0.439
local terms energy: -368.024149
where:
bonds (distance) C4'-P energy: -71.753
bonds (distance) P-C4' energy: -69.880
flat angles C4'-P-C4' energy: -75.656
flat angles P-C4'-P energy: -49.460
tors. eta vs tors. theta energy: -101.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 480
Temperature: 1.150000
Total energy: -1110.305886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1110.305886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1110.305886 (E_RNA)
where:
Base-Base interactions energy: -762.358
where: short stacking energy: -332.413
Base-Backbone interact. energy: -0.403
local terms energy: -347.544365
where:
bonds (distance) C4'-P energy: -63.925
bonds (distance) P-C4' energy: -57.514
flat angles C4'-P-C4' energy: -76.765
flat angles P-C4'-P energy: -56.367
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: 7, replica: 2
=====================================
Write number: 480
Temperature: 1.200000
Total energy: -1074.183617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1074.183617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1074.183617 (E_RNA)
where:
Base-Base interactions energy: -749.792
where: short stacking energy: -303.898
Base-Backbone interact. energy: -0.658
local terms energy: -323.734399
where:
bonds (distance) C4'-P energy: -70.795
bonds (distance) P-C4' energy: -61.408
flat angles C4'-P-C4' energy: -66.657
flat angles P-C4'-P energy: -43.229
tors. eta vs tors. theta energy: -81.645
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: 480
Temperature: 1.250000
Total energy: -753.862494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -753.862494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -753.862494 (E_RNA)
where:
Base-Base interactions energy: -477.889
where: short stacking energy: -219.530
Base-Backbone interact. energy: -0.401
local terms energy: -275.572709
where:
bonds (distance) C4'-P energy: -61.094
bonds (distance) P-C4' energy: -63.341
flat angles C4'-P-C4' energy: -73.504
flat angles P-C4'-P energy: -32.437
tors. eta vs tors. theta energy: -45.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 480
Temperature: 1.300000
Total energy: -764.046947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -764.046947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -764.046947 (E_RNA)
where:
Base-Base interactions energy: -494.326
where: short stacking energy: -230.985
Base-Backbone interact. energy: 2.221
local terms energy: -271.941746
where:
bonds (distance) C4'-P energy: -66.563
bonds (distance) P-C4' energy: -66.624
flat angles C4'-P-C4' energy: -61.140
flat angles P-C4'-P energy: -29.922
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: 10, replica: 4
=====================================
Write number: 480
Temperature: 1.350000
Total energy: -489.326383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.326383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.326383 (E_RNA)
where:
Base-Base interactions energy: -269.577
where: short stacking energy: -134.336
Base-Backbone interact. energy: -1.984
local terms energy: -217.765753
where:
bonds (distance) C4'-P energy: -58.474
bonds (distance) P-C4' energy: -61.405
flat angles C4'-P-C4' energy: -56.761
flat angles P-C4'-P energy: -36.482
tors. eta vs tors. theta energy: -4.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 481
Temperature: 0.900000
Total energy: -1402.226476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1402.226476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1402.226476 (E_RNA)
where:
Base-Base interactions energy: -978.278
where: short stacking energy: -416.956
Base-Backbone interact. energy: -0.840
local terms energy: -423.108923
where:
bonds (distance) C4'-P energy: -80.804
bonds (distance) P-C4' energy: -77.601
flat angles C4'-P-C4' energy: -95.674
flat angles P-C4'-P energy: -57.863
tors. eta vs tors. theta energy: -111.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 481
Temperature: 0.950000
Total energy: -1335.120981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1335.120981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1335.120981 (E_RNA)
where:
Base-Base interactions energy: -925.654
where: short stacking energy: -413.214
Base-Backbone interact. energy: -1.204
local terms energy: -408.263532
where:
bonds (distance) C4'-P energy: -74.596
bonds (distance) P-C4' energy: -73.640
flat angles C4'-P-C4' energy: -87.586
flat angles P-C4'-P energy: -58.156
tors. eta vs tors. theta energy: -114.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 481
Temperature: 1.000000
Total energy: -1308.667426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1308.667426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1308.667426 (E_RNA)
where:
Base-Base interactions energy: -903.052
where: short stacking energy: -367.498
Base-Backbone interact. energy: 0.854
local terms energy: -406.469086
where:
bonds (distance) C4'-P energy: -68.956
bonds (distance) P-C4' energy: -82.487
flat angles C4'-P-C4' energy: -83.766
flat angles P-C4'-P energy: -63.862
tors. eta vs tors. theta energy: -107.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 481
Temperature: 1.050000
Total energy: -1245.781938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1245.781938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1245.781938 (E_RNA)
where:
Base-Base interactions energy: -888.900
where: short stacking energy: -349.428
Base-Backbone interact. energy: -2.719
local terms energy: -354.162374
where:
bonds (distance) C4'-P energy: -66.230
bonds (distance) P-C4' energy: -64.268
flat angles C4'-P-C4' energy: -83.577
flat angles P-C4'-P energy: -47.555
tors. eta vs tors. theta energy: -92.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 481
Temperature: 1.100000
Total energy: -1198.728203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1198.728203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1198.728203 (E_RNA)
where:
Base-Base interactions energy: -832.918
where: short stacking energy: -350.246
Base-Backbone interact. energy: -1.144
local terms energy: -364.666973
where:
bonds (distance) C4'-P energy: -65.822
bonds (distance) P-C4' energy: -65.543
flat angles C4'-P-C4' energy: -77.487
flat angles P-C4'-P energy: -50.781
tors. eta vs tors. theta energy: -105.034
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: 7
=====================================
Write number: 481
Temperature: 1.150000
Total energy: -1074.777779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1074.777779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1074.777779 (E_RNA)
where:
Base-Base interactions energy: -761.085
where: short stacking energy: -314.266
Base-Backbone interact. energy: 0.574
local terms energy: -314.266895
where:
bonds (distance) C4'-P energy: -57.705
bonds (distance) P-C4' energy: -60.430
flat angles C4'-P-C4' energy: -78.124
flat angles P-C4'-P energy: -31.390
tors. eta vs tors. theta energy: -86.617
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: 2
=====================================
Write number: 481
Temperature: 1.200000
Total energy: -1078.842906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1078.842906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1078.842906 (E_RNA)
where:
Base-Base interactions energy: -727.280
where: short stacking energy: -307.037
Base-Backbone interact. energy: -1.148
local terms energy: -350.414361
where:
bonds (distance) C4'-P energy: -57.226
bonds (distance) P-C4' energy: -72.825
flat angles C4'-P-C4' energy: -72.275
flat angles P-C4'-P energy: -52.302
tors. eta vs tors. theta energy: -95.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 481
Temperature: 1.250000
Total energy: -793.645053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -793.645053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -793.645053 (E_RNA)
where:
Base-Base interactions energy: -496.422
where: short stacking energy: -243.677
Base-Backbone interact. energy: 2.055
local terms energy: -299.278041
where:
bonds (distance) C4'-P energy: -69.495
bonds (distance) P-C4' energy: -71.992
flat angles C4'-P-C4' energy: -65.171
flat angles P-C4'-P energy: -39.908
tors. eta vs tors. theta energy: -52.713
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: 10
=====================================
Write number: 481
Temperature: 1.300000
Total energy: -734.735184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -734.735184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -734.735184 (E_RNA)
where:
Base-Base interactions energy: -451.220
where: short stacking energy: -217.418
Base-Backbone interact. energy: -2.541
local terms energy: -280.974059
where:
bonds (distance) C4'-P energy: -59.369
bonds (distance) P-C4' energy: -68.969
flat angles C4'-P-C4' energy: -58.819
flat angles P-C4'-P energy: -46.333
tors. eta vs tors. theta energy: -47.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 481
Temperature: 1.350000
Total energy: -476.738219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.738219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.738219 (E_RNA)
where:
Base-Base interactions energy: -256.296
where: short stacking energy: -141.676
Base-Backbone interact. energy: -0.148
local terms energy: -220.294475
where:
bonds (distance) C4'-P energy: -64.149
bonds (distance) P-C4' energy: -74.274
flat angles C4'-P-C4' energy: -51.262
flat angles P-C4'-P energy: -32.836
tors. eta vs tors. theta energy: 2.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 482
Temperature: 0.900000
Total energy: -1383.745734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1383.745734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1383.745734 (E_RNA)
where:
Base-Base interactions energy: -986.736
where: short stacking energy: -391.460
Base-Backbone interact. energy: -2.032
local terms energy: -394.976962
where:
bonds (distance) C4'-P energy: -82.703
bonds (distance) P-C4' energy: -73.161
flat angles C4'-P-C4' energy: -85.805
flat angles P-C4'-P energy: -50.418
tors. eta vs tors. theta energy: -102.889
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: 2, replica: 8
=====================================
Write number: 482
Temperature: 0.950000
Total energy: -1318.862603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1318.862603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1318.862603 (E_RNA)
where:
Base-Base interactions energy: -913.874
where: short stacking energy: -390.839
Base-Backbone interact. energy: -2.839
local terms energy: -402.149844
where:
bonds (distance) C4'-P energy: -75.370
bonds (distance) P-C4' energy: -77.770
flat angles C4'-P-C4' energy: -83.305
flat angles P-C4'-P energy: -58.181
tors. eta vs tors. theta energy: -107.523
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: 3, replica: 3
=====================================
Write number: 482
Temperature: 1.000000
Total energy: -1289.482201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1289.482201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1289.482201 (E_RNA)
where:
Base-Base interactions energy: -891.862
where: short stacking energy: -368.993
Base-Backbone interact. energy: 0.181
local terms energy: -397.801709
where:
bonds (distance) C4'-P energy: -61.375
bonds (distance) P-C4' energy: -77.155
flat angles C4'-P-C4' energy: -90.480
flat angles P-C4'-P energy: -53.238
tors. eta vs tors. theta energy: -115.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 482
Temperature: 1.050000
Total energy: -1241.160268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1241.160268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1241.160268 (E_RNA)
where:
Base-Base interactions energy: -888.306
where: short stacking energy: -354.006
Base-Backbone interact. energy: -1.931
local terms energy: -350.923387
where:
bonds (distance) C4'-P energy: -59.581
bonds (distance) P-C4' energy: -63.033
flat angles C4'-P-C4' energy: -78.116
flat angles P-C4'-P energy: -57.394
tors. eta vs tors. theta energy: -92.799
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: 5, replica: 5
=====================================
Write number: 482
Temperature: 1.100000
Total energy: -1195.132737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1195.132737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1195.132737 (E_RNA)
where:
Base-Base interactions energy: -840.268
where: short stacking energy: -365.414
Base-Backbone interact. energy: 0.230
local terms energy: -355.094163
where:
bonds (distance) C4'-P energy: -56.990
bonds (distance) P-C4' energy: -70.182
flat angles C4'-P-C4' energy: -82.524
flat angles P-C4'-P energy: -42.906
tors. eta vs tors. theta energy: -102.492
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: 6, replica: 7
=====================================
Write number: 482
Temperature: 1.150000
Total energy: -1120.977395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1120.977395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1120.977395 (E_RNA)
where:
Base-Base interactions energy: -783.933
where: short stacking energy: -332.979
Base-Backbone interact. energy: -5.197
local terms energy: -331.847285
where:
bonds (distance) C4'-P energy: -58.011
bonds (distance) P-C4' energy: -60.338
flat angles C4'-P-C4' energy: -86.751
flat angles P-C4'-P energy: -45.143
tors. eta vs tors. theta energy: -81.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 482
Temperature: 1.200000
Total energy: -1058.438256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1058.438256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1058.438256 (E_RNA)
where:
Base-Base interactions energy: -735.659
where: short stacking energy: -314.688
Base-Backbone interact. energy: 2.365
local terms energy: -325.144548
where:
bonds (distance) C4'-P energy: -57.275
bonds (distance) P-C4' energy: -70.253
flat angles C4'-P-C4' energy: -70.587
flat angles P-C4'-P energy: -29.923
tors. eta vs tors. theta energy: -97.107
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: 1
=====================================
Write number: 482
Temperature: 1.250000
Total energy: -805.674482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -805.674482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -805.674482 (E_RNA)
where:
Base-Base interactions energy: -507.187
where: short stacking energy: -234.338
Base-Backbone interact. energy: -0.276
local terms energy: -298.656952
where:
bonds (distance) C4'-P energy: -67.154
bonds (distance) P-C4' energy: -60.504
flat angles C4'-P-C4' energy: -76.816
flat angles P-C4'-P energy: -44.255
tors. eta vs tors. theta energy: -49.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.446 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 482
Temperature: 1.300000
Total energy: -756.182168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -756.182168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -756.182168 (E_RNA)
where:
Base-Base interactions energy: -477.115
where: short stacking energy: -227.969
Base-Backbone interact. energy: -1.191
local terms energy: -277.876023
where:
bonds (distance) C4'-P energy: -51.574
bonds (distance) P-C4' energy: -65.065
flat angles C4'-P-C4' energy: -65.860
flat angles P-C4'-P energy: -36.223
tors. eta vs tors. theta energy: -59.154
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: 4
=====================================
Write number: 482
Temperature: 1.350000
Total energy: -478.221644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.221644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.221644 (E_RNA)
where:
Base-Base interactions energy: -262.029
where: short stacking energy: -147.184
Base-Backbone interact. energy: -1.418
local terms energy: -214.774719
where:
bonds (distance) C4'-P energy: -44.262
bonds (distance) P-C4' energy: -67.410
flat angles C4'-P-C4' energy: -59.723
flat angles P-C4'-P energy: -43.292
tors. eta vs tors. theta energy: -0.089
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: 1, replica: 9
=====================================
Write number: 483
Temperature: 0.900000
Total energy: -1388.780575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1388.780575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1388.780575 (E_RNA)
where:
Base-Base interactions energy: -976.125
where: short stacking energy: -388.525
Base-Backbone interact. energy: -3.090
local terms energy: -409.566248
where:
bonds (distance) C4'-P energy: -79.645
bonds (distance) P-C4' energy: -79.413
flat angles C4'-P-C4' energy: -89.312
flat angles P-C4'-P energy: -59.988
tors. eta vs tors. theta energy: -101.209
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: 8
=====================================
Write number: 483
Temperature: 0.950000
Total energy: -1334.150591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1334.150591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1334.150591 (E_RNA)
where:
Base-Base interactions energy: -938.171
where: short stacking energy: -404.456
Base-Backbone interact. energy: 3.038
local terms energy: -399.017508
where:
bonds (distance) C4'-P energy: -64.508
bonds (distance) P-C4' energy: -70.172
flat angles C4'-P-C4' energy: -87.599
flat angles P-C4'-P energy: -58.368
tors. eta vs tors. theta energy: -118.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 483
Temperature: 1.000000
Total energy: -1291.815218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1291.815218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1291.815218 (E_RNA)
where:
Base-Base interactions energy: -888.788
where: short stacking energy: -395.022
Base-Backbone interact. energy: 0.209
local terms energy: -403.236250
where:
bonds (distance) C4'-P energy: -77.217
bonds (distance) P-C4' energy: -60.804
flat angles C4'-P-C4' energy: -87.716
flat angles P-C4'-P energy: -60.605
tors. eta vs tors. theta energy: -116.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 483
Temperature: 1.050000
Total energy: -1237.544053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1237.544053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1237.544053 (E_RNA)
where:
Base-Base interactions energy: -864.959
where: short stacking energy: -340.627
Base-Backbone interact. energy: 0.191
local terms energy: -372.776359
where:
bonds (distance) C4'-P energy: -73.218
bonds (distance) P-C4' energy: -81.675
flat angles C4'-P-C4' energy: -77.315
flat angles P-C4'-P energy: -49.651
tors. eta vs tors. theta energy: -90.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 483
Temperature: 1.100000
Total energy: -1243.098253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1243.098253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1243.098253 (E_RNA)
where:
Base-Base interactions energy: -873.775
where: short stacking energy: -350.438
Base-Backbone interact. energy: -0.472
local terms energy: -370.898335
where:
bonds (distance) C4'-P energy: -65.918
bonds (distance) P-C4' energy: -67.430
flat angles C4'-P-C4' energy: -85.188
flat angles P-C4'-P energy: -53.338
tors. eta vs tors. theta energy: -99.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 2.047 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 483
Temperature: 1.150000
Total energy: -1095.549769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1095.549769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1095.549769 (E_RNA)
where:
Base-Base interactions energy: -746.308
where: short stacking energy: -330.245
Base-Backbone interact. energy: -0.882
local terms energy: -348.359561
where:
bonds (distance) C4'-P energy: -58.730
bonds (distance) P-C4' energy: -80.694
flat angles C4'-P-C4' energy: -73.552
flat angles P-C4'-P energy: -55.182
tors. eta vs tors. theta energy: -80.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 483
Temperature: 1.200000
Total energy: -1055.229008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1055.229008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1055.229008 (E_RNA)
where:
Base-Base interactions energy: -721.549
where: short stacking energy: -308.775
Base-Backbone interact. energy: 1.329
local terms energy: -335.009194
where:
bonds (distance) C4'-P energy: -67.004
bonds (distance) P-C4' energy: -61.530
flat angles C4'-P-C4' energy: -78.626
flat angles P-C4'-P energy: -38.211
tors. eta vs tors. theta energy: -89.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 483
Temperature: 1.250000
Total energy: -782.630166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -782.630166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -782.630166 (E_RNA)
where:
Base-Base interactions energy: -499.479
where: short stacking energy: -222.472
Base-Backbone interact. energy: -0.343
local terms energy: -283.192167
where:
bonds (distance) C4'-P energy: -66.106
bonds (distance) P-C4' energy: -67.926
flat angles C4'-P-C4' energy: -68.853
flat angles P-C4'-P energy: -42.281
tors. eta vs tors. theta energy: -38.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.384 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 483
Temperature: 1.300000
Total energy: -705.022401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -705.022401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -705.022401 (E_RNA)
where:
Base-Base interactions energy: -441.099
where: short stacking energy: -203.844
Base-Backbone interact. energy: -1.090
local terms energy: -262.833527
where:
bonds (distance) C4'-P energy: -52.501
bonds (distance) P-C4' energy: -72.443
flat angles C4'-P-C4' energy: -62.534
flat angles P-C4'-P energy: -35.711
tors. eta vs tors. theta energy: -39.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 483
Temperature: 1.350000
Total energy: -474.623990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.623990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.623990 (E_RNA)
where:
Base-Base interactions energy: -281.564
where: short stacking energy: -126.367
Base-Backbone interact. energy: 2.110
local terms energy: -195.170176
where:
bonds (distance) C4'-P energy: -67.093
bonds (distance) P-C4' energy: -61.013
flat angles C4'-P-C4' energy: -53.001
flat angles P-C4'-P energy: -27.713
tors. eta vs tors. theta energy: 13.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 484
Temperature: 0.900000
Total energy: -1410.288408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1410.288408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1410.288408 (E_RNA)
where:
Base-Base interactions energy: -995.655
where: short stacking energy: -404.175
Base-Backbone interact. energy: -4.604
local terms energy: -410.029921
where:
bonds (distance) C4'-P energy: -73.484
bonds (distance) P-C4' energy: -76.584
flat angles C4'-P-C4' energy: -90.143
flat angles P-C4'-P energy: -60.632
tors. eta vs tors. theta energy: -109.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 484
Temperature: 0.950000
Total energy: -1326.337900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1326.337900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1326.337900 (E_RNA)
where:
Base-Base interactions energy: -927.479
where: short stacking energy: -389.034
Base-Backbone interact. energy: -4.027
local terms energy: -395.787618
where:
bonds (distance) C4'-P energy: -64.069
bonds (distance) P-C4' energy: -77.239
flat angles C4'-P-C4' energy: -86.889
flat angles P-C4'-P energy: -55.030
tors. eta vs tors. theta energy: -112.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.956 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 484
Temperature: 1.000000
Total energy: -1289.341131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1289.341131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1289.341131 (E_RNA)
where:
Base-Base interactions energy: -916.517
where: short stacking energy: -370.550
Base-Backbone interact. energy: -5.020
local terms energy: -367.804336
where:
bonds (distance) C4'-P energy: -61.753
bonds (distance) P-C4' energy: -74.046
flat angles C4'-P-C4' energy: -81.194
flat angles P-C4'-P energy: -51.775
tors. eta vs tors. theta energy: -99.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 484
Temperature: 1.050000
Total energy: -1297.040295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1297.040295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1297.040295 (E_RNA)
where:
Base-Base interactions energy: -884.624
where: short stacking energy: -382.564
Base-Backbone interact. energy: 0.399
local terms energy: -413.603436
where:
bonds (distance) C4'-P energy: -81.027
bonds (distance) P-C4' energy: -72.262
flat angles C4'-P-C4' energy: -89.673
flat angles P-C4'-P energy: -61.210
tors. eta vs tors. theta energy: -109.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.788 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 484
Temperature: 1.100000
Total energy: -1241.150824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1241.150824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1241.150824 (E_RNA)
where:
Base-Base interactions energy: -875.358
where: short stacking energy: -344.971
Base-Backbone interact. energy: -2.230
local terms energy: -363.562803
where:
bonds (distance) C4'-P energy: -61.945
bonds (distance) P-C4' energy: -71.916
flat angles C4'-P-C4' energy: -72.711
flat angles P-C4'-P energy: -58.606
tors. eta vs tors. theta energy: -98.385
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: 6, replica: 7
=====================================
Write number: 484
Temperature: 1.150000
Total energy: -1092.422115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1092.422115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1092.422115 (E_RNA)
where:
Base-Base interactions energy: -737.627
where: short stacking energy: -302.914
Base-Backbone interact. energy: -0.253
local terms energy: -354.542419
where:
bonds (distance) C4'-P energy: -61.759
bonds (distance) P-C4' energy: -79.178
flat angles C4'-P-C4' energy: -64.535
flat angles P-C4'-P energy: -58.602
tors. eta vs tors. theta energy: -90.468
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: 484
Temperature: 1.200000
Total energy: -1059.615429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1059.615429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1059.615429 (E_RNA)
where:
Base-Base interactions energy: -717.119
where: short stacking energy: -310.141
Base-Backbone interact. energy: -0.371
local terms energy: -342.125196
where:
bonds (distance) C4'-P energy: -58.988
bonds (distance) P-C4' energy: -74.418
flat angles C4'-P-C4' energy: -72.795
flat angles P-C4'-P energy: -47.503
tors. eta vs tors. theta energy: -88.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 484
Temperature: 1.250000
Total energy: -754.772151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -754.772151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -754.772151 (E_RNA)
where:
Base-Base interactions energy: -482.192
where: short stacking energy: -207.102
Base-Backbone interact. energy: -0.171
local terms energy: -272.408304
where:
bonds (distance) C4'-P energy: -69.620
bonds (distance) P-C4' energy: -66.850
flat angles C4'-P-C4' energy: -58.717
flat angles P-C4'-P energy: -36.377
tors. eta vs tors. theta energy: -40.845
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: 10
=====================================
Write number: 484
Temperature: 1.300000
Total energy: -735.369306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -735.369306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -735.369306 (E_RNA)
where:
Base-Base interactions energy: -494.146
where: short stacking energy: -237.428
Base-Backbone interact. energy: 0.534
local terms energy: -241.757298
where:
bonds (distance) C4'-P energy: -53.999
bonds (distance) P-C4' energy: -50.439
flat angles C4'-P-C4' energy: -55.132
flat angles P-C4'-P energy: -35.125
tors. eta vs tors. theta energy: -47.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 484
Temperature: 1.350000
Total energy: -444.026989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.026989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.026989 (E_RNA)
where:
Base-Base interactions energy: -235.994
where: short stacking energy: -135.228
Base-Backbone interact. energy: -0.870
local terms energy: -207.163359
where:
bonds (distance) C4'-P energy: -52.508
bonds (distance) P-C4' energy: -52.203
flat angles C4'-P-C4' energy: -64.650
flat angles P-C4'-P energy: -29.722
tors. eta vs tors. theta energy: -8.080
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: 1, replica: 9
=====================================
Write number: 485
Temperature: 0.900000
Total energy: -1417.029334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1417.029334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1417.029334 (E_RNA)
where:
Base-Base interactions energy: -1004.701
where: short stacking energy: -406.694
Base-Backbone interact. energy: -2.333
local terms energy: -409.995202
where:
bonds (distance) C4'-P energy: -74.723
bonds (distance) P-C4' energy: -80.853
flat angles C4'-P-C4' energy: -86.020
flat angles P-C4'-P energy: -55.981
tors. eta vs tors. theta energy: -112.418
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: 6
=====================================
Write number: 485
Temperature: 0.950000
Total energy: -1308.230017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1308.230017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1308.230017 (E_RNA)
where:
Base-Base interactions energy: -922.421
where: short stacking energy: -365.060
Base-Backbone interact. energy: -2.007
local terms energy: -383.801547
where:
bonds (distance) C4'-P energy: -78.034
bonds (distance) P-C4' energy: -63.548
flat angles C4'-P-C4' energy: -89.134
flat angles P-C4'-P energy: -55.334
tors. eta vs tors. theta energy: -97.751
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: 8
=====================================
Write number: 485
Temperature: 1.000000
Total energy: -1292.207501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1292.207501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1292.207501 (E_RNA)
where:
Base-Base interactions energy: -911.297
where: short stacking energy: -381.504
Base-Backbone interact. energy: -3.554
local terms energy: -377.357413
where:
bonds (distance) C4'-P energy: -79.906
bonds (distance) P-C4' energy: -61.340
flat angles C4'-P-C4' energy: -83.376
flat angles P-C4'-P energy: -40.748
tors. eta vs tors. theta energy: -111.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 485
Temperature: 1.050000
Total energy: -1295.652007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1295.652007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1295.652007 (E_RNA)
where:
Base-Base interactions energy: -900.080
where: short stacking energy: -398.626
Base-Backbone interact. energy: -2.553
local terms energy: -393.019086
where:
bonds (distance) C4'-P energy: -72.433
bonds (distance) P-C4' energy: -72.285
flat angles C4'-P-C4' energy: -79.425
flat angles P-C4'-P energy: -55.462
tors. eta vs tors. theta energy: -113.414
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: 5
=====================================
Write number: 485
Temperature: 1.100000
Total energy: -1205.929933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1205.929933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1205.929933 (E_RNA)
where:
Base-Base interactions energy: -846.309
where: short stacking energy: -350.462
Base-Backbone interact. energy: -2.971
local terms energy: -356.650649
where:
bonds (distance) C4'-P energy: -63.022
bonds (distance) P-C4' energy: -72.370
flat angles C4'-P-C4' energy: -84.807
flat angles P-C4'-P energy: -42.179
tors. eta vs tors. theta energy: -94.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 485
Temperature: 1.150000
Total energy: -1076.361097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1076.361097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1076.361097 (E_RNA)
where:
Base-Base interactions energy: -729.368
where: short stacking energy: -300.650
Base-Backbone interact. energy: -0.635
local terms energy: -346.358863
where:
bonds (distance) C4'-P energy: -63.177
bonds (distance) P-C4' energy: -73.455
flat angles C4'-P-C4' energy: -74.891
flat angles P-C4'-P energy: -51.361
tors. eta vs tors. theta energy: -83.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 485
Temperature: 1.200000
Total energy: -1033.087444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1033.087444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1033.087444 (E_RNA)
where:
Base-Base interactions energy: -714.656
where: short stacking energy: -302.592
Base-Backbone interact. energy: -0.585
local terms energy: -317.846557
where:
bonds (distance) C4'-P energy: -59.947
bonds (distance) P-C4' energy: -78.154
flat angles C4'-P-C4' energy: -65.522
flat angles P-C4'-P energy: -36.411
tors. eta vs tors. theta energy: -77.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 485
Temperature: 1.250000
Total energy: -785.538637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -785.538637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -785.538637 (E_RNA)
where:
Base-Base interactions energy: -512.812
where: short stacking energy: -224.634
Base-Backbone interact. energy: -1.351
local terms energy: -271.375469
where:
bonds (distance) C4'-P energy: -57.870
bonds (distance) P-C4' energy: -74.456
flat angles C4'-P-C4' energy: -60.008
flat angles P-C4'-P energy: -28.193
tors. eta vs tors. theta energy: -50.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 485
Temperature: 1.300000
Total energy: -781.800140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -781.800140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -781.800140 (E_RNA)
where:
Base-Base interactions energy: -510.241
where: short stacking energy: -236.380
Base-Backbone interact. energy: -0.329
local terms energy: -271.229955
where:
bonds (distance) C4'-P energy: -60.074
bonds (distance) P-C4' energy: -54.990
flat angles C4'-P-C4' energy: -64.840
flat angles P-C4'-P energy: -39.936
tors. eta vs tors. theta energy: -51.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 485
Temperature: 1.350000
Total energy: -485.230014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.230014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.230014 (E_RNA)
where:
Base-Base interactions energy: -260.360
where: short stacking energy: -136.387
Base-Backbone interact. energy: 0.651
local terms energy: -225.520814
where:
bonds (distance) C4'-P energy: -48.377
bonds (distance) P-C4' energy: -74.479
flat angles C4'-P-C4' energy: -62.957
flat angles P-C4'-P energy: -22.954
tors. eta vs tors. theta energy: -16.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 486
Temperature: 0.900000
Total energy: -1404.860800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1404.860800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1404.860800 (E_RNA)
where:
Base-Base interactions energy: -982.772
where: short stacking energy: -402.056
Base-Backbone interact. energy: -4.311
local terms energy: -417.777784
where:
bonds (distance) C4'-P energy: -73.104
bonds (distance) P-C4' energy: -88.049
flat angles C4'-P-C4' energy: -85.369
flat angles P-C4'-P energy: -60.144
tors. eta vs tors. theta energy: -111.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 486
Temperature: 0.950000
Total energy: -1318.213970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1318.213970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1318.213970 (E_RNA)
where:
Base-Base interactions energy: -934.266
where: short stacking energy: -372.104
Base-Backbone interact. energy: -1.768
local terms energy: -382.179354
where:
bonds (distance) C4'-P energy: -65.994
bonds (distance) P-C4' energy: -79.723
flat angles C4'-P-C4' energy: -84.555
flat angles P-C4'-P energy: -54.867
tors. eta vs tors. theta energy: -97.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 486
Temperature: 1.000000
Total energy: -1291.221087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1291.221087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1291.221087 (E_RNA)
where:
Base-Base interactions energy: -899.870
where: short stacking energy: -371.830
Base-Backbone interact. energy: -0.304
local terms energy: -391.046946
where:
bonds (distance) C4'-P energy: -67.708
bonds (distance) P-C4' energy: -84.079
flat angles C4'-P-C4' energy: -78.785
flat angles P-C4'-P energy: -48.243
tors. eta vs tors. theta energy: -112.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 486
Temperature: 1.050000
Total energy: -1271.719031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1271.719031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1271.719031 (E_RNA)
where:
Base-Base interactions energy: -906.624
where: short stacking energy: -395.679
Base-Backbone interact. energy: -1.994
local terms energy: -363.101105
where:
bonds (distance) C4'-P energy: -55.556
bonds (distance) P-C4' energy: -75.140
flat angles C4'-P-C4' energy: -79.514
flat angles P-C4'-P energy: -45.752
tors. eta vs tors. theta energy: -107.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 486
Temperature: 1.100000
Total energy: -1227.106799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1227.106799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1227.106799 (E_RNA)
where:
Base-Base interactions energy: -852.828
where: short stacking energy: -354.024
Base-Backbone interact. energy: -2.257
local terms energy: -372.022216
where:
bonds (distance) C4'-P energy: -70.311
bonds (distance) P-C4' energy: -60.363
flat angles C4'-P-C4' energy: -83.904
flat angles P-C4'-P energy: -54.249
tors. eta vs tors. theta energy: -103.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 486
Temperature: 1.150000
Total energy: -1128.113175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1128.113175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1128.113175 (E_RNA)
where:
Base-Base interactions energy: -773.185
where: short stacking energy: -323.851
Base-Backbone interact. energy: -0.606
local terms energy: -354.322370
where:
bonds (distance) C4'-P energy: -85.855
bonds (distance) P-C4' energy: -67.487
flat angles C4'-P-C4' energy: -60.411
flat angles P-C4'-P energy: -54.241
tors. eta vs tors. theta energy: -86.328
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: 7
=====================================
Write number: 486
Temperature: 1.200000
Total energy: -1028.344108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1028.344108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1028.344108 (E_RNA)
where:
Base-Base interactions energy: -710.290
where: short stacking energy: -316.312
Base-Backbone interact. energy: -0.887
local terms energy: -317.166993
where:
bonds (distance) C4'-P energy: -54.237
bonds (distance) P-C4' energy: -64.138
flat angles C4'-P-C4' energy: -82.924
flat angles P-C4'-P energy: -33.015
tors. eta vs tors. theta energy: -82.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 486
Temperature: 1.250000
Total energy: -755.615104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -755.615104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -755.615104 (E_RNA)
where:
Base-Base interactions energy: -486.494
where: short stacking energy: -213.356
Base-Backbone interact. energy: 1.869
local terms energy: -270.990788
where:
bonds (distance) C4'-P energy: -64.308
bonds (distance) P-C4' energy: -72.440
flat angles C4'-P-C4' energy: -60.194
flat angles P-C4'-P energy: -46.111
tors. eta vs tors. theta energy: -27.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 486
Temperature: 1.300000
Total energy: -799.819565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -799.819565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -799.819565 (E_RNA)
where:
Base-Base interactions energy: -518.857
where: short stacking energy: -224.754
Base-Backbone interact. energy: -0.347
local terms energy: -280.615358
where:
bonds (distance) C4'-P energy: -67.117
bonds (distance) P-C4' energy: -61.916
flat angles C4'-P-C4' energy: -66.615
flat angles P-C4'-P energy: -39.482
tors. eta vs tors. theta energy: -45.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 486
Temperature: 1.350000
Total energy: -511.154240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.154240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.154240 (E_RNA)
where:
Base-Base interactions energy: -296.790
where: short stacking energy: -140.482
Base-Backbone interact. energy: 0.361
local terms energy: -214.725909
where:
bonds (distance) C4'-P energy: -64.467
bonds (distance) P-C4' energy: -61.158
flat angles C4'-P-C4' energy: -51.446
flat angles P-C4'-P energy: -31.349
tors. eta vs tors. theta energy: -6.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 487
Temperature: 0.900000
Total energy: -1380.751080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1380.751080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1380.751080 (E_RNA)
where:
Base-Base interactions energy: -985.651
where: short stacking energy: -408.393
Base-Backbone interact. energy: -3.515
local terms energy: -391.585484
where:
bonds (distance) C4'-P energy: -67.465
bonds (distance) P-C4' energy: -68.735
flat angles C4'-P-C4' energy: -89.015
flat angles P-C4'-P energy: -56.774
tors. eta vs tors. theta energy: -109.597
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: 6
=====================================
Write number: 487
Temperature: 0.950000
Total energy: -1331.950015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1331.950015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1331.950015 (E_RNA)
where:
Base-Base interactions energy: -931.492
where: short stacking energy: -370.503
Base-Backbone interact. energy: -0.862
local terms energy: -399.595889
where:
bonds (distance) C4'-P energy: -81.808
bonds (distance) P-C4' energy: -84.081
flat angles C4'-P-C4' energy: -83.720
flat angles P-C4'-P energy: -50.941
tors. eta vs tors. theta energy: -99.045
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: 8
=====================================
Write number: 487
Temperature: 1.000000
Total energy: -1300.342027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1300.342027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1300.342027 (E_RNA)
where:
Base-Base interactions energy: -902.337
where: short stacking energy: -376.945
Base-Backbone interact. energy: -2.039
local terms energy: -395.965634
where:
bonds (distance) C4'-P energy: -73.223
bonds (distance) P-C4' energy: -72.262
flat angles C4'-P-C4' energy: -77.291
flat angles P-C4'-P energy: -62.714
tors. eta vs tors. theta energy: -110.475
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: 3
=====================================
Write number: 487
Temperature: 1.050000
Total energy: -1278.725334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1278.725334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1278.725334 (E_RNA)
where:
Base-Base interactions energy: -887.794
where: short stacking energy: -371.657
Base-Backbone interact. energy: -1.454
local terms energy: -389.477687
where:
bonds (distance) C4'-P energy: -67.090
bonds (distance) P-C4' energy: -70.139
flat angles C4'-P-C4' energy: -80.725
flat angles P-C4'-P energy: -60.599
tors. eta vs tors. theta energy: -110.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 487
Temperature: 1.100000
Total energy: -1200.531729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1200.531729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1200.531729 (E_RNA)
where:
Base-Base interactions energy: -821.614
where: short stacking energy: -365.734
Base-Backbone interact. energy: -1.858
local terms energy: -377.059542
where:
bonds (distance) C4'-P energy: -70.214
bonds (distance) P-C4' energy: -71.907
flat angles C4'-P-C4' energy: -81.877
flat angles P-C4'-P energy: -56.007
tors. eta vs tors. theta energy: -97.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 487
Temperature: 1.150000
Total energy: -1085.199613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1085.199613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1085.199613 (E_RNA)
where:
Base-Base interactions energy: -747.739
where: short stacking energy: -320.158
Base-Backbone interact. energy: 0.193
local terms energy: -337.653760
where:
bonds (distance) C4'-P energy: -52.971
bonds (distance) P-C4' energy: -79.100
flat angles C4'-P-C4' energy: -62.912
flat angles P-C4'-P energy: -51.573
tors. eta vs tors. theta energy: -91.097
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: 7
=====================================
Write number: 487
Temperature: 1.200000
Total energy: -1049.671138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1049.671138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1049.671138 (E_RNA)
where:
Base-Base interactions energy: -701.059
where: short stacking energy: -293.794
Base-Backbone interact. energy: -1.934
local terms energy: -346.677677
where:
bonds (distance) C4'-P energy: -70.833
bonds (distance) P-C4' energy: -79.320
flat angles C4'-P-C4' energy: -70.610
flat angles P-C4'-P energy: -40.292
tors. eta vs tors. theta energy: -85.622
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: 10
=====================================
Write number: 487
Temperature: 1.250000
Total energy: -800.530313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -800.530313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -800.530313 (E_RNA)
where:
Base-Base interactions energy: -509.744
where: short stacking energy: -247.097
Base-Backbone interact. energy: -1.912
local terms energy: -288.873723
where:
bonds (distance) C4'-P energy: -62.309
bonds (distance) P-C4' energy: -68.353
flat angles C4'-P-C4' energy: -62.340
flat angles P-C4'-P energy: -49.064
tors. eta vs tors. theta energy: -46.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 487
Temperature: 1.300000
Total energy: -800.909595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -800.909595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -800.909595 (E_RNA)
where:
Base-Base interactions energy: -507.624
where: short stacking energy: -225.252
Base-Backbone interact. energy: 1.625
local terms energy: -295.313104
where:
bonds (distance) C4'-P energy: -71.603
bonds (distance) P-C4' energy: -70.016
flat angles C4'-P-C4' energy: -63.094
flat angles P-C4'-P energy: -38.816
tors. eta vs tors. theta energy: -51.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.403 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 487
Temperature: 1.350000
Total energy: -488.571956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.571956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.571956 (E_RNA)
where:
Base-Base interactions energy: -274.090
where: short stacking energy: -122.915
Base-Backbone interact. energy: -1.312
local terms energy: -213.169849
where:
bonds (distance) C4'-P energy: -52.787
bonds (distance) P-C4' energy: -64.380
flat angles C4'-P-C4' energy: -60.806
flat angles P-C4'-P energy: -27.482
tors. eta vs tors. theta energy: -7.714
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: 1, replica: 9
=====================================
Write number: 488
Temperature: 0.900000
Total energy: -1384.641053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1384.641053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1384.641053 (E_RNA)
where:
Base-Base interactions energy: -976.746
where: short stacking energy: -392.665
Base-Backbone interact. energy: -3.072
local terms energy: -404.823595
where:
bonds (distance) C4'-P energy: -76.837
bonds (distance) P-C4' energy: -75.741
flat angles C4'-P-C4' energy: -84.996
flat angles P-C4'-P energy: -61.868
tors. eta vs tors. theta energy: -105.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 488
Temperature: 0.950000
Total energy: -1307.263022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1307.263022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1307.263022 (E_RNA)
where:
Base-Base interactions energy: -910.196
where: short stacking energy: -368.631
Base-Backbone interact. energy: -2.529
local terms energy: -394.537293
where:
bonds (distance) C4'-P energy: -80.483
bonds (distance) P-C4' energy: -77.856
flat angles C4'-P-C4' energy: -82.875
flat angles P-C4'-P energy: -58.825
tors. eta vs tors. theta energy: -94.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 488
Temperature: 1.000000
Total energy: -1291.285704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1291.285704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1291.285704 (E_RNA)
where:
Base-Base interactions energy: -911.342
where: short stacking energy: -367.545
Base-Backbone interact. energy: -2.207
local terms energy: -377.736136
where:
bonds (distance) C4'-P energy: -56.730
bonds (distance) P-C4' energy: -80.979
flat angles C4'-P-C4' energy: -76.263
flat angles P-C4'-P energy: -57.683
tors. eta vs tors. theta energy: -106.082
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: 4, replica: 8
=====================================
Write number: 488
Temperature: 1.050000
Total energy: -1249.629213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1249.629213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1249.629213 (E_RNA)
where:
Base-Base interactions energy: -850.265
where: short stacking energy: -356.475
Base-Backbone interact. energy: 0.911
local terms energy: -400.275192
where:
bonds (distance) C4'-P energy: -66.102
bonds (distance) P-C4' energy: -81.375
flat angles C4'-P-C4' energy: -86.033
flat angles P-C4'-P energy: -54.255
tors. eta vs tors. theta energy: -112.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 488
Temperature: 1.100000
Total energy: -1164.017540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1164.017540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1164.017540 (E_RNA)
where:
Base-Base interactions energy: -806.126
where: short stacking energy: -337.671
Base-Backbone interact. energy: -1.381
local terms energy: -356.510426
where:
bonds (distance) C4'-P energy: -61.319
bonds (distance) P-C4' energy: -74.075
flat angles C4'-P-C4' energy: -78.222
flat angles P-C4'-P energy: -46.156
tors. eta vs tors. theta energy: -96.738
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: 2
=====================================
Write number: 488
Temperature: 1.150000
Total energy: -1069.053925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1069.053925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1069.053925 (E_RNA)
where:
Base-Base interactions energy: -717.708
where: short stacking energy: -302.159
Base-Backbone interact. energy: -1.668
local terms energy: -349.808590
where:
bonds (distance) C4'-P energy: -57.568
bonds (distance) P-C4' energy: -67.218
flat angles C4'-P-C4' energy: -83.026
flat angles P-C4'-P energy: -56.060
tors. eta vs tors. theta energy: -85.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.131 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 488
Temperature: 1.200000
Total energy: -1019.926416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1019.926416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1019.926416 (E_RNA)
where:
Base-Base interactions energy: -680.749
where: short stacking energy: -300.793
Base-Backbone interact. energy: 0.765
local terms energy: -339.941907
where:
bonds (distance) C4'-P energy: -63.625
bonds (distance) P-C4' energy: -66.775
flat angles C4'-P-C4' energy: -67.208
flat angles P-C4'-P energy: -55.970
tors. eta vs tors. theta energy: -86.365
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: 10
=====================================
Write number: 488
Temperature: 1.250000
Total energy: -770.886281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -770.886281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -770.886281 (E_RNA)
where:
Base-Base interactions energy: -486.576
where: short stacking energy: -225.049
Base-Backbone interact. energy: 0.415
local terms energy: -284.724953
where:
bonds (distance) C4'-P energy: -56.608
bonds (distance) P-C4' energy: -53.630
flat angles C4'-P-C4' energy: -69.299
flat angles P-C4'-P energy: -57.174
tors. eta vs tors. theta energy: -48.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 488
Temperature: 1.300000
Total energy: -785.537439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -785.537439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -785.537439 (E_RNA)
where:
Base-Base interactions energy: -500.819
where: short stacking energy: -212.747
Base-Backbone interact. energy: -0.408
local terms energy: -284.310622
where:
bonds (distance) C4'-P energy: -48.612
bonds (distance) P-C4' energy: -73.554
flat angles C4'-P-C4' energy: -69.215
flat angles P-C4'-P energy: -41.104
tors. eta vs tors. theta energy: -51.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 488
Temperature: 1.350000
Total energy: -492.296678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.296678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.296678 (E_RNA)
where:
Base-Base interactions energy: -264.891
where: short stacking energy: -136.928
Base-Backbone interact. energy: 1.972
local terms energy: -229.376925
where:
bonds (distance) C4'-P energy: -50.288
bonds (distance) P-C4' energy: -68.190
flat angles C4'-P-C4' energy: -56.604
flat angles P-C4'-P energy: -42.401
tors. eta vs tors. theta energy: -11.894
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: 9
=====================================
Write number: 489
Temperature: 0.900000
Total energy: -1395.347323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1395.347323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1395.347323 (E_RNA)
where:
Base-Base interactions energy: -993.838
where: short stacking energy: -406.670
Base-Backbone interact. energy: -2.400
local terms energy: -399.109469
where:
bonds (distance) C4'-P energy: -74.538
bonds (distance) P-C4' energy: -81.387
flat angles C4'-P-C4' energy: -84.473
flat angles P-C4'-P energy: -53.706
tors. eta vs tors. theta energy: -105.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 489
Temperature: 0.950000
Total energy: -1356.918869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1356.918869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1356.918869 (E_RNA)
where:
Base-Base interactions energy: -916.677
where: short stacking energy: -405.713
Base-Backbone interact. energy: -2.428
local terms energy: -437.813893
where:
bonds (distance) C4'-P energy: -73.650
bonds (distance) P-C4' energy: -89.487
flat angles C4'-P-C4' energy: -86.756
flat angles P-C4'-P energy: -69.400
tors. eta vs tors. theta energy: -118.522
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: 3, replica: 6
=====================================
Write number: 489
Temperature: 1.000000
Total energy: -1283.885903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1283.885903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1283.885903 (E_RNA)
where:
Base-Base interactions energy: -902.713
where: short stacking energy: -358.696
Base-Backbone interact. energy: -2.702
local terms energy: -378.470979
where:
bonds (distance) C4'-P energy: -65.507
bonds (distance) P-C4' energy: -81.895
flat angles C4'-P-C4' energy: -86.005
flat angles P-C4'-P energy: -54.423
tors. eta vs tors. theta energy: -90.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 489
Temperature: 1.050000
Total energy: -1242.596259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1242.596259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1242.596259 (E_RNA)
where:
Base-Base interactions energy: -854.613
where: short stacking energy: -354.098
Base-Backbone interact. energy: -0.671
local terms energy: -387.312047
where:
bonds (distance) C4'-P energy: -72.740
bonds (distance) P-C4' energy: -69.626
flat angles C4'-P-C4' energy: -76.946
flat angles P-C4'-P energy: -59.942
tors. eta vs tors. theta energy: -108.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 489
Temperature: 1.100000
Total energy: -1204.949397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1204.949397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1204.949397 (E_RNA)
where:
Base-Base interactions energy: -830.586
where: short stacking energy: -351.901
Base-Backbone interact. energy: -0.802
local terms energy: -373.561895
where:
bonds (distance) C4'-P energy: -69.350
bonds (distance) P-C4' energy: -62.205
flat angles C4'-P-C4' energy: -81.222
flat angles P-C4'-P energy: -52.408
tors. eta vs tors. theta energy: -108.377
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: 2
=====================================
Write number: 489
Temperature: 1.150000
Total energy: -1072.088267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1072.088267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1072.088267 (E_RNA)
where:
Base-Base interactions energy: -732.777
where: short stacking energy: -307.622
Base-Backbone interact. energy: -1.395
local terms energy: -338.032094
where:
bonds (distance) C4'-P energy: -46.060
bonds (distance) P-C4' energy: -81.915
flat angles C4'-P-C4' energy: -88.756
flat angles P-C4'-P energy: -39.400
tors. eta vs tors. theta energy: -81.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.116 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 489
Temperature: 1.200000
Total energy: -976.806732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -976.806732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -976.806732 (E_RNA)
where:
Base-Base interactions energy: -653.406
where: short stacking energy: -269.206
Base-Backbone interact. energy: -0.139
local terms energy: -323.262042
where:
bonds (distance) C4'-P energy: -69.858
bonds (distance) P-C4' energy: -62.506
flat angles C4'-P-C4' energy: -72.104
flat angles P-C4'-P energy: -43.091
tors. eta vs tors. theta energy: -75.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 489
Temperature: 1.250000
Total energy: -809.220486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -809.220486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -809.220486 (E_RNA)
where:
Base-Base interactions energy: -522.994
where: short stacking energy: -228.362
Base-Backbone interact. energy: 0.092
local terms energy: -286.318289
where:
bonds (distance) C4'-P energy: -67.052
bonds (distance) P-C4' energy: -71.550
flat angles C4'-P-C4' energy: -55.165
flat angles P-C4'-P energy: -42.109
tors. eta vs tors. theta energy: -50.443
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: 10
=====================================
Write number: 489
Temperature: 1.300000
Total energy: -733.438243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -733.438243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -733.438243 (E_RNA)
where:
Base-Base interactions energy: -458.904
where: short stacking energy: -216.861
Base-Backbone interact. energy: -0.236
local terms energy: -274.813140
where:
bonds (distance) C4'-P energy: -56.880
bonds (distance) P-C4' energy: -80.312
flat angles C4'-P-C4' energy: -59.285
flat angles P-C4'-P energy: -34.570
tors. eta vs tors. theta energy: -43.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.515 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 489
Temperature: 1.350000
Total energy: -522.754038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.754038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.754038 (E_RNA)
where:
Base-Base interactions energy: -289.187
where: short stacking energy: -164.664
Base-Backbone interact. energy: 0.175
local terms energy: -233.742705
where:
bonds (distance) C4'-P energy: -56.398
bonds (distance) P-C4' energy: -70.305
flat angles C4'-P-C4' energy: -55.453
flat angles P-C4'-P energy: -35.251
tors. eta vs tors. theta energy: -16.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 490
Temperature: 0.900000
Total energy: -1386.377181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1386.377181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1386.377181 (E_RNA)
where:
Base-Base interactions energy: -988.141
where: short stacking energy: -396.547
Base-Backbone interact. energy: -3.169
local terms energy: -395.066663
where:
bonds (distance) C4'-P energy: -72.085
bonds (distance) P-C4' energy: -81.206
flat angles C4'-P-C4' energy: -82.502
flat angles P-C4'-P energy: -52.418
tors. eta vs tors. theta energy: -106.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 490
Temperature: 0.950000
Total energy: -1309.562078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1309.562078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1309.562078 (E_RNA)
where:
Base-Base interactions energy: -910.095
where: short stacking energy: -400.419
Base-Backbone interact. energy: -0.044
local terms energy: -399.423870
where:
bonds (distance) C4'-P energy: -86.166
bonds (distance) P-C4' energy: -76.857
flat angles C4'-P-C4' energy: -76.208
flat angles P-C4'-P energy: -50.065
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: 6
=====================================
Write number: 490
Temperature: 1.000000
Total energy: -1297.603729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1297.603729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1297.603729 (E_RNA)
where:
Base-Base interactions energy: -922.987
where: short stacking energy: -370.456
Base-Backbone interact. energy: 0.907
local terms energy: -375.523692
where:
bonds (distance) C4'-P energy: -69.790
bonds (distance) P-C4' energy: -70.965
flat angles C4'-P-C4' energy: -85.206
flat angles P-C4'-P energy: -56.229
tors. eta vs tors. theta energy: -93.335
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: 4, replica: 8
=====================================
Write number: 490
Temperature: 1.050000
Total energy: -1258.551043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1258.551043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1258.551043 (E_RNA)
where:
Base-Base interactions energy: -871.531
where: short stacking energy: -366.194
Base-Backbone interact. energy: -0.500
local terms energy: -386.775912
where:
bonds (distance) C4'-P energy: -63.109
bonds (distance) P-C4' energy: -79.032
flat angles C4'-P-C4' energy: -74.729
flat angles P-C4'-P energy: -56.051
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: 0.256 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 490
Temperature: 1.100000
Total energy: -1196.739920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1196.739920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1196.739920 (E_RNA)
where:
Base-Base interactions energy: -830.205
where: short stacking energy: -357.457
Base-Backbone interact. energy: -1.518
local terms energy: -365.016924
where:
bonds (distance) C4'-P energy: -74.568
bonds (distance) P-C4' energy: -72.762
flat angles C4'-P-C4' energy: -76.113
flat angles P-C4'-P energy: -43.970
tors. eta vs tors. theta energy: -97.604
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: 2
=====================================
Write number: 490
Temperature: 1.150000
Total energy: -1080.339713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1080.339713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1080.339713 (E_RNA)
where:
Base-Base interactions energy: -724.542
where: short stacking energy: -310.134
Base-Backbone interact. energy: -0.857
local terms energy: -354.940414
where:
bonds (distance) C4'-P energy: -71.928
bonds (distance) P-C4' energy: -65.982
flat angles C4'-P-C4' energy: -77.476
flat angles P-C4'-P energy: -54.852
tors. eta vs tors. theta energy: -84.702
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: 7, replica: 7
=====================================
Write number: 490
Temperature: 1.200000
Total energy: -980.100305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -980.100305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -980.100305 (E_RNA)
where:
Base-Base interactions energy: -656.327
where: short stacking energy: -285.524
Base-Backbone interact. energy: -0.641
local terms energy: -323.132775
where:
bonds (distance) C4'-P energy: -53.051
bonds (distance) P-C4' energy: -72.672
flat angles C4'-P-C4' energy: -71.603
flat angles P-C4'-P energy: -47.554
tors. eta vs tors. theta energy: -78.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 490
Temperature: 1.250000
Total energy: -818.999285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -818.999285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -818.999285 (E_RNA)
where:
Base-Base interactions energy: -530.350
where: short stacking energy: -227.397
Base-Backbone interact. energy: -2.981
local terms energy: -285.667735
where:
bonds (distance) C4'-P energy: -71.952
bonds (distance) P-C4' energy: -72.540
flat angles C4'-P-C4' energy: -54.702
flat angles P-C4'-P energy: -41.750
tors. eta vs tors. theta energy: -44.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 490
Temperature: 1.300000
Total energy: -736.669077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -736.669077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -736.669077 (E_RNA)
where:
Base-Base interactions energy: -460.498
where: short stacking energy: -213.695
Base-Backbone interact. energy: 2.209
local terms energy: -278.379649
where:
bonds (distance) C4'-P energy: -53.169
bonds (distance) P-C4' energy: -76.146
flat angles C4'-P-C4' energy: -72.006
flat angles P-C4'-P energy: -36.399
tors. eta vs tors. theta energy: -40.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 490
Temperature: 1.350000
Total energy: -498.523509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.523509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.523509 (E_RNA)
where:
Base-Base interactions energy: -280.065
where: short stacking energy: -166.177
Base-Backbone interact. energy: -1.793
local terms energy: -216.665356
where:
bonds (distance) C4'-P energy: -50.407
bonds (distance) P-C4' energy: -61.548
flat angles C4'-P-C4' energy: -62.001
flat angles P-C4'-P energy: -19.596
tors. eta vs tors. theta energy: -23.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 491
Temperature: 0.900000
Total energy: -1381.978122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1381.978122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1381.978122 (E_RNA)
where:
Base-Base interactions energy: -971.425
where: short stacking energy: -388.908
Base-Backbone interact. energy: -0.865
local terms energy: -409.688117
where:
bonds (distance) C4'-P energy: -79.516
bonds (distance) P-C4' energy: -79.097
flat angles C4'-P-C4' energy: -86.645
flat angles P-C4'-P energy: -57.491
tors. eta vs tors. theta energy: -106.939
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: 491
Temperature: 0.950000
Total energy: -1321.173637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1321.173637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1321.173637 (E_RNA)
where:
Base-Base interactions energy: -907.042
where: short stacking energy: -399.081
Base-Backbone interact. energy: -1.629
local terms energy: -412.502125
where:
bonds (distance) C4'-P energy: -71.384
bonds (distance) P-C4' energy: -82.239
flat angles C4'-P-C4' energy: -81.610
flat angles P-C4'-P energy: -57.179
tors. eta vs tors. theta energy: -120.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 491
Temperature: 1.000000
Total energy: -1276.631593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1276.631593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1276.631593 (E_RNA)
where:
Base-Base interactions energy: -892.104
where: short stacking energy: -350.839
Base-Backbone interact. energy: 1.387
local terms energy: -385.913987
where:
bonds (distance) C4'-P energy: -77.331
bonds (distance) P-C4' energy: -77.202
flat angles C4'-P-C4' energy: -73.768
flat angles P-C4'-P energy: -54.443
tors. eta vs tors. theta energy: -103.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 491
Temperature: 1.050000
Total energy: -1271.543805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1271.543805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1271.543805 (E_RNA)
where:
Base-Base interactions energy: -858.411
where: short stacking energy: -367.060
Base-Backbone interact. energy: -0.237
local terms energy: -412.895538
where:
bonds (distance) C4'-P energy: -72.902
bonds (distance) P-C4' energy: -73.431
flat angles C4'-P-C4' energy: -89.378
flat angles P-C4'-P energy: -64.959
tors. eta vs tors. theta energy: -112.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 491
Temperature: 1.100000
Total energy: -1203.900619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1203.900619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1203.900619 (E_RNA)
where:
Base-Base interactions energy: -841.812
where: short stacking energy: -367.991
Base-Backbone interact. energy: -1.358
local terms energy: -360.730045
where:
bonds (distance) C4'-P energy: -74.836
bonds (distance) P-C4' energy: -65.712
flat angles C4'-P-C4' energy: -77.731
flat angles P-C4'-P energy: -45.010
tors. eta vs tors. theta energy: -97.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 491
Temperature: 1.150000
Total energy: -1074.719119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1074.719119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1074.719119 (E_RNA)
where:
Base-Base interactions energy: -733.264
where: short stacking energy: -304.626
Base-Backbone interact. energy: -1.724
local terms energy: -339.730628
where:
bonds (distance) C4'-P energy: -65.556
bonds (distance) P-C4' energy: -67.646
flat angles C4'-P-C4' energy: -71.464
flat angles P-C4'-P energy: -48.441
tors. eta vs tors. theta energy: -86.623
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: 7
=====================================
Write number: 491
Temperature: 1.200000
Total energy: -1007.399434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1007.399434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1007.399434 (E_RNA)
where:
Base-Base interactions energy: -684.260
where: short stacking energy: -300.401
Base-Backbone interact. energy: 0.045
local terms energy: -323.692054
where:
bonds (distance) C4'-P energy: -51.202
bonds (distance) P-C4' energy: -70.810
flat angles C4'-P-C4' energy: -73.082
flat angles P-C4'-P energy: -43.879
tors. eta vs tors. theta energy: -84.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.508 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 491
Temperature: 1.250000
Total energy: -801.907103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -801.907103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -801.907103 (E_RNA)
where:
Base-Base interactions energy: -517.875
where: short stacking energy: -231.642
Base-Backbone interact. energy: -2.091
local terms energy: -281.941931
where:
bonds (distance) C4'-P energy: -71.433
bonds (distance) P-C4' energy: -61.589
flat angles C4'-P-C4' energy: -66.579
flat angles P-C4'-P energy: -39.375
tors. eta vs tors. theta energy: -42.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 491
Temperature: 1.300000
Total energy: -728.531333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -728.531333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -728.531333 (E_RNA)
where:
Base-Base interactions energy: -460.039
where: short stacking energy: -220.104
Base-Backbone interact. energy: -1.262
local terms energy: -267.230717
where:
bonds (distance) C4'-P energy: -61.714
bonds (distance) P-C4' energy: -64.413
flat angles C4'-P-C4' energy: -66.204
flat angles P-C4'-P energy: -32.667
tors. eta vs tors. theta energy: -42.233
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: 10, replica: 4
=====================================
Write number: 491
Temperature: 1.350000
Total energy: -495.001636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.001636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.001636 (E_RNA)
where:
Base-Base interactions energy: -256.893
where: short stacking energy: -126.877
Base-Backbone interact. energy: 0.660
local terms energy: -238.768685
where:
bonds (distance) C4'-P energy: -73.309
bonds (distance) P-C4' energy: -75.425
flat angles C4'-P-C4' energy: -56.551
flat angles P-C4'-P energy: -24.707
tors. eta vs tors. theta energy: -8.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 492
Temperature: 0.900000
Total energy: -1384.267342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1384.267342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1384.267342 (E_RNA)
where:
Base-Base interactions energy: -966.961
where: short stacking energy: -397.802
Base-Backbone interact. energy: -3.992
local terms energy: -413.314501
where:
bonds (distance) C4'-P energy: -81.350
bonds (distance) P-C4' energy: -69.666
flat angles C4'-P-C4' energy: -88.017
flat angles P-C4'-P energy: -68.854
tors. eta vs tors. theta energy: -105.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 492
Temperature: 0.950000
Total energy: -1320.812087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1320.812087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1320.812087 (E_RNA)
where:
Base-Base interactions energy: -898.453
where: short stacking energy: -385.047
Base-Backbone interact. energy: -1.704
local terms energy: -421.216715
where:
bonds (distance) C4'-P energy: -73.555
bonds (distance) P-C4' energy: -84.187
flat angles C4'-P-C4' energy: -85.182
flat angles P-C4'-P energy: -67.921
tors. eta vs tors. theta energy: -110.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.561 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 492
Temperature: 1.000000
Total energy: -1268.735580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1268.735580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1268.735580 (E_RNA)
where:
Base-Base interactions energy: -892.445
where: short stacking energy: -386.025
Base-Backbone interact. energy: -3.004
local terms energy: -373.286926
where:
bonds (distance) C4'-P energy: -70.135
bonds (distance) P-C4' energy: -80.226
flat angles C4'-P-C4' energy: -73.144
flat angles P-C4'-P energy: -49.991
tors. eta vs tors. theta energy: -99.792
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: 8
=====================================
Write number: 492
Temperature: 1.050000
Total energy: -1267.549137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1267.549137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1267.549137 (E_RNA)
where:
Base-Base interactions energy: -882.502
where: short stacking energy: -387.588
Base-Backbone interact. energy: -3.742
local terms energy: -381.304317
where:
bonds (distance) C4'-P energy: -66.653
bonds (distance) P-C4' energy: -61.174
flat angles C4'-P-C4' energy: -88.610
flat angles P-C4'-P energy: -50.777
tors. eta vs tors. theta energy: -114.091
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: 5
=====================================
Write number: 492
Temperature: 1.100000
Total energy: -1188.719191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1188.719191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1188.719191 (E_RNA)
where:
Base-Base interactions energy: -844.453
where: short stacking energy: -350.979
Base-Backbone interact. energy: 3.558
local terms energy: -347.824518
where:
bonds (distance) C4'-P energy: -54.808
bonds (distance) P-C4' energy: -68.768
flat angles C4'-P-C4' energy: -59.842
flat angles P-C4'-P energy: -55.534
tors. eta vs tors. theta energy: -108.872
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: 2
=====================================
Write number: 492
Temperature: 1.150000
Total energy: -1071.536870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1071.536870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1071.536870 (E_RNA)
where:
Base-Base interactions energy: -716.357
where: short stacking energy: -316.587
Base-Backbone interact. energy: -2.151
local terms energy: -353.028553
where:
bonds (distance) C4'-P energy: -71.820
bonds (distance) P-C4' energy: -67.330
flat angles C4'-P-C4' energy: -79.557
flat angles P-C4'-P energy: -41.123
tors. eta vs tors. theta energy: -93.199
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: 7
=====================================
Write number: 492
Temperature: 1.200000
Total energy: -1013.515185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1013.515185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1013.515185 (E_RNA)
where:
Base-Base interactions energy: -703.054
where: short stacking energy: -286.281
Base-Backbone interact. energy: -2.044
local terms energy: -308.416538
where:
bonds (distance) C4'-P energy: -70.642
bonds (distance) P-C4' energy: -55.035
flat angles C4'-P-C4' energy: -63.856
flat angles P-C4'-P energy: -42.427
tors. eta vs tors. theta energy: -76.457
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: 8, replica: 1
=====================================
Write number: 492
Temperature: 1.250000
Total energy: -803.609124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -803.609124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -803.609124 (E_RNA)
where:
Base-Base interactions energy: -517.327
where: short stacking energy: -208.615
Base-Backbone interact. energy: -0.412
local terms energy: -285.870123
where:
bonds (distance) C4'-P energy: -60.682
bonds (distance) P-C4' energy: -69.806
flat angles C4'-P-C4' energy: -63.774
flat angles P-C4'-P energy: -41.754
tors. eta vs tors. theta energy: -49.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 492
Temperature: 1.300000
Total energy: -746.887191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -746.887191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -746.887191 (E_RNA)
where:
Base-Base interactions energy: -494.850
where: short stacking energy: -231.930
Base-Backbone interact. energy: -1.835
local terms energy: -250.202565
where:
bonds (distance) C4'-P energy: -55.267
bonds (distance) P-C4' energy: -48.274
flat angles C4'-P-C4' energy: -67.005
flat angles P-C4'-P energy: -43.786
tors. eta vs tors. theta energy: -35.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 492
Temperature: 1.350000
Total energy: -501.525892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.525892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.525892 (E_RNA)
where:
Base-Base interactions energy: -300.170
where: short stacking energy: -167.112
Base-Backbone interact. energy: 1.554
local terms energy: -202.910331
where:
bonds (distance) C4'-P energy: -62.735
bonds (distance) P-C4' energy: -54.076
flat angles C4'-P-C4' energy: -57.022
flat angles P-C4'-P energy: -25.516
tors. eta vs tors. theta energy: -3.562
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: 1, replica: 9
=====================================
Write number: 493
Temperature: 0.900000
Total energy: -1379.409330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1379.409330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1379.409330 (E_RNA)
where:
Base-Base interactions energy: -967.474
where: short stacking energy: -387.600
Base-Backbone interact. energy: -1.559
local terms energy: -410.375910
where:
bonds (distance) C4'-P energy: -72.764
bonds (distance) P-C4' energy: -83.881
flat angles C4'-P-C4' energy: -85.923
flat angles P-C4'-P energy: -59.750
tors. eta vs tors. theta energy: -108.059
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 493
Temperature: 0.950000
Total energy: -1341.381455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1341.381455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1341.381455 (E_RNA)
where:
Base-Base interactions energy: -942.956
where: short stacking energy: -400.131
Base-Backbone interact. energy: -0.342
local terms energy: -398.082839
where:
bonds (distance) C4'-P energy: -73.257
bonds (distance) P-C4' energy: -75.175
flat angles C4'-P-C4' energy: -86.468
flat angles P-C4'-P energy: -51.432
tors. eta vs tors. theta energy: -111.751
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: 6
=====================================
Write number: 493
Temperature: 1.000000
Total energy: -1260.134220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1260.134220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1260.134220 (E_RNA)
where:
Base-Base interactions energy: -886.395
where: short stacking energy: -351.647
Base-Backbone interact. energy: -0.326
local terms energy: -373.412662
where:
bonds (distance) C4'-P energy: -67.066
bonds (distance) P-C4' energy: -76.919
flat angles C4'-P-C4' energy: -82.717
flat angles P-C4'-P energy: -56.297
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: 4, replica: 8
=====================================
Write number: 493
Temperature: 1.050000
Total energy: -1253.997794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1253.997794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1253.997794 (E_RNA)
where:
Base-Base interactions energy: -882.027
where: short stacking energy: -374.398
Base-Backbone interact. energy: -2.159
local terms energy: -369.811770
where:
bonds (distance) C4'-P energy: -67.705
bonds (distance) P-C4' energy: -68.084
flat angles C4'-P-C4' energy: -77.374
flat angles P-C4'-P energy: -51.172
tors. eta vs tors. theta energy: -105.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 493
Temperature: 1.100000
Total energy: -1179.663550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1179.663550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1179.663550 (E_RNA)
where:
Base-Base interactions energy: -797.659
where: short stacking energy: -355.140
Base-Backbone interact. energy: 0.016
local terms energy: -382.020559
where:
bonds (distance) C4'-P energy: -65.861
bonds (distance) P-C4' energy: -79.530
flat angles C4'-P-C4' energy: -79.475
flat angles P-C4'-P energy: -50.654
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: 6, replica: 2
=====================================
Write number: 493
Temperature: 1.150000
Total energy: -1057.263911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1057.263911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1057.263911 (E_RNA)
where:
Base-Base interactions energy: -692.429
where: short stacking energy: -297.624
Base-Backbone interact. energy: 0.268
local terms energy: -365.102509
where:
bonds (distance) C4'-P energy: -76.104
bonds (distance) P-C4' energy: -73.825
flat angles C4'-P-C4' energy: -77.372
flat angles P-C4'-P energy: -53.085
tors. eta vs tors. theta energy: -84.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 493
Temperature: 1.200000
Total energy: -1064.781957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1064.781957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1064.781957 (E_RNA)
where:
Base-Base interactions energy: -716.795
where: short stacking energy: -305.615
Base-Backbone interact. energy: 0.095
local terms energy: -348.082180
where:
bonds (distance) C4'-P energy: -68.725
bonds (distance) P-C4' energy: -66.883
flat angles C4'-P-C4' energy: -77.283
flat angles P-C4'-P energy: -55.679
tors. eta vs tors. theta energy: -79.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 493
Temperature: 1.250000
Total energy: -818.912121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -818.912121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -818.912121 (E_RNA)
where:
Base-Base interactions energy: -541.118
where: short stacking energy: -229.063
Base-Backbone interact. energy: 0.015
local terms energy: -277.809235
where:
bonds (distance) C4'-P energy: -58.523
bonds (distance) P-C4' energy: -63.107
flat angles C4'-P-C4' energy: -74.195
flat angles P-C4'-P energy: -34.868
tors. eta vs tors. theta energy: -47.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 493
Temperature: 1.300000
Total energy: -759.797501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -759.797501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -759.797501 (E_RNA)
where:
Base-Base interactions energy: -491.325
where: short stacking energy: -217.549
Base-Backbone interact. energy: -0.624
local terms energy: -267.848436
where:
bonds (distance) C4'-P energy: -56.489
bonds (distance) P-C4' energy: -60.828
flat angles C4'-P-C4' energy: -63.639
flat angles P-C4'-P energy: -44.287
tors. eta vs tors. theta energy: -42.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 493
Temperature: 1.350000
Total energy: -484.003502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.003502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.003502 (E_RNA)
where:
Base-Base interactions energy: -265.374
where: short stacking energy: -126.616
Base-Backbone interact. energy: 1.845
local terms energy: -220.474599
where:
bonds (distance) C4'-P energy: -62.085
bonds (distance) P-C4' energy: -60.675
flat angles C4'-P-C4' energy: -57.322
flat angles P-C4'-P energy: -34.329
tors. eta vs tors. theta energy: -6.063
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)